data_2lt7_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 2lt7 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 5.2 p30 . . . . . 0 CA--C 1.557 1.237 0 CA-C-O 120.764 0.316 . . . . 20.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 -161.06 176.41 11.38 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 116.376 -0.375 . . . . 20.0 110.731 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -138.64 157.97 45.13 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.169 -0.468 . . . . 20.0 110.574 171.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -99.55 141.52 32.24 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.325 -0.398 . . . . 20.0 110.795 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 22.1 tp -137.37 113.82 10.19 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.078 -0.51 . . . . 20.0 110.334 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 27.9 mt -84.86 122.81 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 120.868 0.366 . . . . 20.0 110.515 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 48.2 t -134.66 123.98 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 115.936 -0.574 . . . . 20.0 110.113 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 38.4 t0 50.48 40.27 22.84 Favored 'General case' 0 CA--C 1.564 1.498 0 CA-C-O 121.066 0.46 . . . . 20.0 111.068 -177.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.31 -26.61 6.86 Favored Glycine 0 CA--C 1.547 2.052 0 CA-C-N 116.184 -0.462 . . . . 20.0 112.848 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 59.2 mtm-85 -80.34 132.6 35.82 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 120.638 0.256 . . . . 20.0 111.045 -177.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 84.8 t -80.01 117.86 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 116.462 -0.336 . . . . 20.0 110.103 170.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.0 m-30 -100.9 155.14 18.12 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.334 -0.394 . . . . 20.0 110.225 173.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -118.54 127.26 53.45 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.132 -0.485 . . . . 20.0 110.021 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.6 mt -121.01 130.45 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-O 120.915 0.388 . . . . 20.0 111.116 -169.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 5.9 t -67.06 138.45 57.16 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.982 -0.554 . . . . 20.0 110.584 175.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 26.2 pt -70.28 -39.37 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 111.646 0.239 . . . . 20.0 111.646 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.85 -63.82 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 111.954 0.353 . . . . 20.0 111.954 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.3 p -105.07 -4.53 21.83 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.386 0.513 . . . . 20.0 112.386 -169.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 57.2 35.39 26.13 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 122.654 0.382 . . . . 20.0 111.856 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -76.8 131.57 38.74 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.932 -0.395 . . . . 20.0 109.932 169.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 32.9 p -93.1 146.12 23.89 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.978 0.418 . . . . 20.0 111.132 -177.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -138.5 140.82 39.31 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.782 -0.644 . . . . 20.0 110.931 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 74.1 t -80.3 -16.84 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 115.96 -0.564 . . . . 20.0 111.125 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 73.2 m -134.73 136.0 42.36 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 116.488 -0.323 . . . . 20.0 111.07 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 21.7 mt -61.31 -38.94 88.64 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 116.341 -0.391 . . . . 20.0 110.857 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 7.5 p -52.32 -45.49 65.62 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-O 120.886 0.374 . . . . 20.0 110.873 176.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 3.7 t -64.98 -40.16 94.57 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.188 -0.46 . . . . 20.0 110.97 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 4.9 tp -62.81 -46.12 89.44 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 116.279 -0.418 . . . . 20.0 111.127 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -59.66 -46.58 88.6 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 120.801 0.334 . . . . 20.0 110.311 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -54.79 -42.79 72.19 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.883 -0.598 . . . . 20.0 111.056 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -69.6 -43.99 71.67 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 116.33 -0.395 . . . . 20.0 111.401 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -59.4 -22.83 61.99 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 111.667 0.247 . . . . 20.0 111.667 -173.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -22.24 64.27 Favored 'General case' 0 CA--C 1.568 1.66 0 C-N-CA 122.105 0.162 . . . . 20.0 111.237 177.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 49.4 mt -74.85 -19.37 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 122.301 0.24 . . . . 20.0 111.06 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -98.75 -42.67 7.1 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.583 0.23 . . . . 20.0 111.078 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 87.9 p -72.23 -36.94 69.25 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.514 -0.312 . . . . 20.0 111.305 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 61.4 m95 51.23 31.24 6.62 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.269 0.556 . . . . 20.0 110.298 -169.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.11 -33.3 75.17 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.724 -0.671 . . . . 20.0 110.674 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -127.77 116.19 19.83 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.081 -0.509 . . . . 20.0 110.419 177.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -88.79 146.34 25.06 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.158 -0.474 . . . . 20.0 110.505 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -121.75 80.0 40.3 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-N 116.114 -0.494 . . . . 20.0 110.423 176.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -75.82 146.72 30.12 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.759 2.306 . . . . 20.0 112.416 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 14.2 t -71.84 170.35 13.86 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-N 115.919 -0.582 . . . . 20.0 110.782 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.16 -40.22 7.29 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 116.387 -0.369 . . . . 20.0 110.754 175.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -85.72 -17.96 34.45 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.968 -0.56 . . . . 20.0 111.536 -172.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 18.1 p -141.96 170.28 16.02 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-O 120.838 0.352 . . . . 20.0 110.811 175.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -84.99 7.58 20.8 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 116.371 -0.377 . . . . 20.0 111.8 -174.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -66.77 149.49 50.48 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 120.695 0.283 . . . . 20.0 111.07 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 14.9 t -127.16 138.31 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 CA-C-N 116.25 -0.432 . . . . 20.0 110.814 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -111.62 152.5 44.1 Favored Pre-proline 0 CA--C 1.546 0.79 0 CA-C-N 115.937 -0.574 . . . . 20.0 110.652 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -84.69 -7.39 9.6 Favored 'Trans proline' 0 CA--C 1.553 1.432 0 C-N-CA 122.849 2.366 . . . . 20.0 112.736 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.2 mp -132.19 144.43 50.66 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.528 0.331 . . . . 20.0 110.223 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.01 88.31 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 116.499 -0.319 . . . . 20.0 110.989 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -65.67 -37.06 85.44 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 116.686 -0.233 . . . . 20.0 111.04 -176.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -60.62 -41.89 95.75 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.617 0.246 . . . . 20.0 110.561 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -61.48 -52.31 65.03 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.389 -0.369 . . . . 20.0 110.448 174.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 52.6 m -54.06 -49.74 68.32 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 116.38 -0.373 . . . . 20.0 110.942 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -61.89 -37.82 86.03 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 116.726 -0.216 . . . . 20.0 111.263 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -65.81 -41.52 91.76 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-O 120.732 0.301 . . . . 20.0 110.785 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.77 -29.65 68.08 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.695 -0.229 . . . . 20.0 111.279 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 28.4 mt -65.11 -29.39 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-O 120.567 0.222 . . . . 20.0 110.538 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -78.91 -26.55 43.74 Favored 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 116.42 -0.355 . . . . 20.0 111.225 175.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -73.53 -41.33 63.14 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 120.754 0.312 . . . . 20.0 110.762 174.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 16.4 p -80.92 -40.78 24.02 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 116.305 -0.407 . . . . 20.0 111.157 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 96.5 16.13 38.15 Favored Glycine 0 CA--C 1.544 1.857 0 C-N-CA 121.498 -0.382 . . . . 20.0 112.748 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.7 115.21 2.03 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 116.892 0.346 . . . . 20.0 111.078 -177.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 48.0 mmt-85 -83.85 80.01 9.29 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.065 0.46 . . . . 20.0 110.495 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 39.5 mtp85 -71.33 -36.45 71.56 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 115.864 -0.607 . . . . 20.0 111.698 -173.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -101.19 110.7 22.75 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.533 -0.303 . . . . 20.0 111.053 -169.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -105.09 130.87 53.18 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 120.816 0.341 . . . . 20.0 110.796 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 45.6 t -69.82 151.11 46.13 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.175 -0.466 . . . . 20.0 110.137 171.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 78.2 mt -106.91 -17.72 14.12 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.69 -0.232 . . . . 20.0 111.39 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.16 -48.2 24.77 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 116.744 -0.207 . . . . 20.0 111.093 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.1 p -120.0 -3.03 10.17 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 111.954 0.353 . . . . 20.0 111.954 -176.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 80.04 -1.42 79.88 Favored Glycine 0 CA--C 1.556 2.625 0 C-N-CA 121.041 -0.599 . . . . 20.0 113.485 172.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -68.49 140.49 55.69 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 117.223 0.511 . . . . 20.0 111.069 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 16.1 m -106.09 143.48 34.16 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 116.242 -0.435 . . . . 20.0 111.197 -176.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -132.93 159.25 40.48 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 116.002 -0.544 . . . . 20.0 110.747 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 7.0 tt -84.7 -25.34 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 116.199 -0.455 . . . . 20.0 111.915 -171.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 37.2 p30 -152.76 171.34 18.39 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 121.055 0.455 . . . . 20.0 111.327 -177.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -66.34 -36.53 83.15 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.949 -0.569 . . . . 20.0 111.26 -176.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.3 mp0 -61.29 -47.98 83.48 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 120.586 0.232 . . . . 20.0 111.183 -174.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -67.26 -40.72 86.27 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 116.686 -0.234 . . . . 20.0 110.788 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 32.8 ttp -59.47 -49.67 76.9 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 116.604 -0.271 . . . . 20.0 111.043 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 40.0 t -59.73 -46.82 87.96 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 116.65 -0.25 . . . . 20.0 110.835 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 32.6 t -57.24 -44.96 84.29 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 116.433 -0.349 . . . . 20.0 110.938 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -62.36 -48.11 81.22 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.442 -0.345 . . . . 20.0 111.294 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.25 -34.16 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 120.586 0.231 . . . . 20.0 110.669 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -71.63 -45.6 61.6 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.557 -0.292 . . . . 20.0 111.127 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 95.4 p -77.09 -33.16 57.06 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 111.787 0.291 . . . . 20.0 111.787 -173.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 70.9 t -96.14 -49.61 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 CA-C-O 120.507 0.194 . . . . 20.0 111.441 -173.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 . . . . . 0 CA--C 1.55 0.955 0 CA-C-N 116.602 -0.272 . . . . 20.0 111.664 -172.89 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 2.4 mp . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 120.5 0.19 . . . . 20.0 111.5 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -145.64 158.67 43.82 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.028 0.442 . . . . 20.0 111.213 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -134.06 138.74 45.52 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.785 -0.643 . . . . 20.0 110.31 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.1 tt -96.91 124.59 40.93 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 116.289 -0.414 . . . . 20.0 110.675 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -104.41 145.75 31.27 Favored Pre-proline 0 CA--C 1.55 0.97 0 CA-C-N 116.301 -0.409 . . . . 20.0 110.523 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -60.12 157.34 35.1 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 122.554 2.169 . . . . 20.0 112.424 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 48.3 t -93.41 126.35 38.5 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.189 -0.459 . . . . 20.0 110.466 176.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 33.4 ptt-85 -116.62 -16.02 10.76 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 116.41 -0.359 . . . . 20.0 111.369 -177.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 38.2 m -66.65 -26.84 67.25 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.584 -0.28 . . . . 20.0 111.388 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.2 pp -143.23 163.3 33.31 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 120.713 0.292 . . . . 20.0 110.657 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -86.64 122.72 30.95 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-O 121.033 0.445 . . . . 20.0 111.422 -171.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 35.6 pt -144.57 170.18 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 115.644 -0.707 . . . . 20.0 109.961 174.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -73.33 134.77 44.23 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 110.058 -0.349 . . . . 20.0 110.058 170.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -110.57 99.67 8.61 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.193 -0.458 . . . . 20.0 110.746 -172.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -59.65 147.43 37.47 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.262 -0.426 . . . . 20.0 110.643 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.89 -10.01 44.03 Favored 'General case' 0 CA--C 1.559 1.318 0 N-CA-C 112.186 0.439 . . . . 20.0 112.186 -171.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -84.48 -18.56 35.46 Favored 'General case' 0 CA--C 1.552 1.055 0 O-C-N 122.408 -0.183 . . . . 20.0 111.429 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.477 0.889 0 CA-C-O 120.61 0.243 . . . . 20.0 110.476 170.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 8.0 p30 . . . . . 0 CA--C 1.556 1.174 0 CA-C-O 120.713 0.292 . . . . 20.0 111.056 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -161.28 175.25 12.49 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.583 0.353 . . . . 20.0 110.741 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -136.18 157.91 45.68 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.108 -0.497 . . . . 20.0 110.023 169.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -112.58 127.41 56.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.014 0.435 . . . . 20.0 110.81 -173.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.8 tp -121.97 118.14 28.11 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.633 -0.712 . . . . 20.0 110.16 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 25.6 mt -88.82 122.12 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 120.953 0.406 . . . . 20.0 110.618 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 41.9 t -138.14 129.31 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 115.823 -0.626 . . . . 20.0 110.092 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.69 35.83 19.4 Favored 'General case' 0 CA--C 1.565 1.558 0 CA-C-O 120.967 0.413 . . . . 20.0 111.208 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.29 3.87 88.73 Favored Glycine 0 CA--C 1.55 2.229 0 CA-C-N 116.349 -0.387 . . . . 20.0 112.836 177.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -111.67 135.3 52.46 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.524 0.33 . . . . 20.0 110.724 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 97.6 t -80.07 123.23 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 116.477 -0.328 . . . . 20.0 110.29 174.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -108.75 114.73 28.76 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.363 -0.381 . . . . 20.0 110.518 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -79.79 119.89 23.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.38 -0.373 . . . . 20.0 110.197 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.1 mt -114.35 131.13 67.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-O 120.944 0.402 . . . . 20.0 111.086 -171.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.5 t -66.69 137.25 56.55 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.998 -0.546 . . . . 20.0 110.809 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 20.4 pt -69.64 -38.42 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 116.618 -0.264 . . . . 20.0 111.652 -176.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 52.2 t -60.82 -65.52 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 N-CA-C 111.898 0.333 . . . . 20.0 111.898 -176.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.4 p -105.16 -1.82 24.98 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-N 116.041 -0.527 . . . . 20.0 112.412 -169.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 56.96 40.63 28.64 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 122.561 0.345 . . . . 20.0 111.575 -175.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -80.77 130.21 34.95 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-N 116.367 -0.379 . . . . 20.0 110.263 170.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 33.7 p -93.45 151.17 19.91 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 120.995 0.426 . . . . 20.0 111.289 -177.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . 0.533 ' HH ' ' CG ' ' A' ' 512' ' ' HIS . 80.3 m-85 -144.16 141.95 30.26 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.781 -0.645 . . . . 20.0 111.136 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 80.2 t -78.72 -16.92 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 CA-C-N 115.92 -0.582 . . . . 20.0 110.887 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 84.3 m -135.16 138.91 44.15 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 120.796 0.331 . . . . 20.0 111.218 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.37 -34.07 73.36 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 116.184 -0.462 . . . . 20.0 110.737 174.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 39.2 p -55.05 -42.7 73.02 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 116.6 -0.273 . . . . 20.0 110.785 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 38.8 m -68.36 -38.63 81.62 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 116.505 -0.316 . . . . 20.0 110.991 177.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 7.1 tp -63.14 -46.4 87.38 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.511 -0.313 . . . . 20.0 110.82 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -48.38 80.84 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 120.552 0.215 . . . . 20.0 110.695 177.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -52.31 -41.22 62.76 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 116.257 -0.429 . . . . 20.0 110.856 174.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . 0.533 ' CG ' ' HH ' ' A' ' 503' ' ' TYR . 13.4 t60 -74.53 -43.39 56.03 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 116.167 -0.47 . . . . 20.0 111.42 -176.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -62.0 -25.97 67.95 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 122.397 -0.189 . . . . 20.0 111.465 -174.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -20.57 61.59 Favored 'General case' 0 CA--C 1.557 1.212 0 CA-C-O 120.581 0.229 . . . . 20.0 111.186 175.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 21.7 mt -81.11 -16.01 12.43 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 C-N-CA 122.347 0.259 . . . . 20.0 110.95 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -97.68 -43.48 7.17 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.715 0.293 . . . . 20.0 110.897 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 85.2 p -80.01 -34.33 38.51 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.356 -0.384 . . . . 20.0 111.31 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 55.5 m95 49.36 39.16 15.59 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-O 121.217 0.532 . . . . 20.0 110.706 -172.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -71.53 -26.97 62.88 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.866 -0.606 . . . . 20.0 111.17 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -125.05 135.06 52.36 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 116.531 -0.304 . . . . 20.0 110.56 175.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -102.46 141.17 35.72 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.174 -0.466 . . . . 20.0 110.538 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 522' ' ' TYR . . . . . 0.405 ' CE1' ' HB1' ' A' ' 534' ' ' ALA . 83.2 m-85 -124.28 79.95 59.66 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-N 116.167 -0.47 . . . . 20.0 110.217 172.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -78.22 149.66 25.21 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.793 2.329 . . . . 20.0 112.607 -176.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 52.7 t -84.75 145.69 27.78 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.91 -0.586 . . . . 20.0 110.533 175.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -80.59 -37.34 31.41 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 116.519 -0.31 . . . . 20.0 110.918 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -84.01 -23.43 30.97 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 116.205 -0.452 . . . . 20.0 111.743 -171.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 15.2 p -139.2 161.58 37.07 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 120.769 0.319 . . . . 20.0 110.559 172.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -84.97 24.8 1.02 Allowed 'General case' 0 CA--C 1.564 1.481 0 N-CA-C 112.279 0.474 . . . . 20.0 112.279 -169.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -85.61 157.58 20.32 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 120.92 0.39 . . . . 20.0 111.198 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 11.1 t -128.81 138.21 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 CA-C-N 115.751 -0.659 . . . . 20.0 110.77 175.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -108.13 150.83 40.95 Favored Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 116.015 -0.538 . . . . 20.0 110.714 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -82.83 -0.61 10.15 Favored 'Trans proline' 0 CA--C 1.56 1.808 0 C-N-CA 122.89 2.394 . . . . 20.0 112.481 171.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 7.5 mp -133.58 141.14 47.55 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.841 0.456 . . . . 20.0 110.335 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . 0.405 ' HB1' ' CE1' ' A' ' 522' ' ' TYR . . . -69.97 -42.47 73.09 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 120.644 0.259 . . . . 20.0 111.159 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -61.12 -36.75 80.58 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 120.607 0.241 . . . . 20.0 110.924 -177.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -65.09 -39.97 93.94 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.629 -0.259 . . . . 20.0 110.833 177.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -55.25 35.15 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.878 0.37 . . . . 20.0 110.254 175.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 52.8 m -51.15 -59.21 4.43 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.906 -0.588 . . . . 20.0 111.184 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -62.45 -33.58 75.11 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 116.682 -0.235 . . . . 20.0 110.939 -175.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -66.97 -42.71 84.68 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 120.706 0.288 . . . . 20.0 111.03 175.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -70.31 -26.0 63.58 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 122.38 -0.2 . . . . 20.0 111.111 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 23.6 mt -64.59 -35.6 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-O 120.686 0.279 . . . . 20.0 110.449 170.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -73.14 -28.76 62.43 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.346 -0.388 . . . . 20.0 111.13 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -75.23 -42.44 55.34 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 120.77 0.319 . . . . 20.0 111.061 175.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 18.8 p -79.82 -19.92 47.34 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 116.413 -0.358 . . . . 20.0 111.409 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 77.23 13.67 83.38 Favored Glycine 0 CA--C 1.542 1.775 0 C-N-CA 121.481 -0.39 . . . . 20.0 112.652 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -55.73 116.59 3.01 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-O 120.776 0.322 . . . . 20.0 111.364 -175.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -78.59 129.94 35.37 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 116.259 -0.428 . . . . 20.0 110.154 171.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -136.33 -41.97 0.63 Allowed 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 116.298 -0.41 . . . . 20.0 111.556 -173.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -90.33 97.25 11.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.707 0.289 . . . . 20.0 110.412 -176.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -97.3 129.72 44.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.405 -0.361 . . . . 20.0 110.94 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 49.5 t -68.46 148.61 50.36 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.07 -0.513 . . . . 20.0 110.244 171.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 90.8 mt -103.74 -19.74 14.2 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 116.714 -0.221 . . . . 20.0 111.242 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.01 -48.37 24.42 Favored 'General case' 0 CA--C 1.556 1.174 0 CA-C-N 116.586 -0.279 . . . . 20.0 111.165 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 26.4 p -120.03 -1.61 10.36 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 112.054 0.39 . . . . 20.0 112.054 -175.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 81.51 -5.98 66.58 Favored Glycine 0 CA--C 1.556 2.643 0 C-N-CA 120.978 -0.63 . . . . 20.0 113.738 171.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -66.26 140.77 58.16 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 117.469 0.634 . . . . 20.0 111.065 -176.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 24.2 m -105.1 145.56 30.35 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 116.362 -0.381 . . . . 20.0 111.355 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -132.39 162.26 31.56 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.982 -0.554 . . . . 20.0 110.787 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 3.1 tt -80.14 -25.43 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 116.146 -0.479 . . . . 20.0 111.531 -172.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -155.05 175.05 14.32 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 121.111 0.481 . . . . 20.0 111.232 -174.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -63.86 -37.03 85.87 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.856 -0.611 . . . . 20.0 111.096 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -62.67 -48.52 78.93 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 116.419 -0.355 . . . . 20.0 111.205 -172.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -68.55 -42.7 78.0 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.901 -0.136 . . . . 20.0 110.869 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -56.43 -47.57 78.8 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 116.643 -0.253 . . . . 20.0 110.727 176.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 38.5 t -60.79 -49.1 78.84 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.559 -0.291 . . . . 20.0 110.959 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 29.1 t -56.34 -41.96 76.94 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.681 0.276 . . . . 20.0 110.881 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -64.83 -50.46 66.57 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 116.456 -0.338 . . . . 20.0 111.202 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 20.1 mt -64.3 -36.46 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-O 120.63 0.253 . . . . 20.0 110.679 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -67.08 -42.31 84.85 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 116.59 -0.277 . . . . 20.0 111.046 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 41.4 m -77.77 -36.46 50.53 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 116.571 -0.286 . . . . 20.0 111.69 -174.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 73.8 t -97.11 -47.81 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 116.635 -0.257 . . . . 20.0 111.409 -171.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 . . . . . 0 CA--C 1.551 1.01 0 CA-C-N 116.643 -0.253 . . . . 20.0 111.497 -173.673 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 112.102 0.408 . . . . 20.0 112.102 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -147.62 162.71 38.58 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.09 0.471 . . . . 20.0 111.476 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -138.22 137.96 38.06 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.644 -0.707 . . . . 20.0 110.156 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.5 tt -102.08 113.71 27.19 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.425 -0.352 . . . . 20.0 110.667 -175.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -88.28 152.88 50.77 Favored Pre-proline 0 CA--C 1.554 1.114 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.928 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -63.97 158.83 45.33 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 122.468 2.112 . . . . 20.0 112.554 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 24.7 t -94.59 131.53 40.25 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.143 -0.481 . . . . 20.0 110.575 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -120.13 -22.42 6.65 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 116.3 -0.409 . . . . 20.0 111.448 -174.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 49.1 m -73.73 -21.39 60.23 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 111.877 0.325 . . . . 20.0 111.877 -171.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 3.0 pp -143.27 169.05 18.36 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 120.876 0.369 . . . . 20.0 111.293 -177.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -91.08 113.26 25.48 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 116.119 -0.491 . . . . 20.0 111.635 -171.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 23.6 pt -149.79 164.61 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 115.718 -0.674 . . . . 20.0 110.309 169.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -73.23 145.66 46.04 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.952 -0.388 . . . . 20.0 109.952 171.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -126.14 152.04 46.46 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.046 0.451 . . . . 20.0 110.822 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . 0.426 ' H ' ' CD2' ' A' ' 600' ' ' LEU . 87.7 m-85 -103.17 157.8 16.75 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.771 -0.65 . . . . 20.0 110.678 -177.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.77 -9.94 56.48 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-N 116.57 -0.286 . . . . 20.0 111.747 -175.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -77.53 -20.49 54.1 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 121.314 -0.154 . . . . 20.0 110.855 173.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 600' ' ' LEU . . . . . 0.426 ' CD2' ' H ' ' A' ' 597' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 109.944 -0.391 . . . . 20.0 109.944 169.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 35.8 p30 . . . . . 0 CA--C 1.552 1.02 0 CA-C-O 120.817 0.341 . . . . 20.0 111.07 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -158.72 175.0 14.17 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 120.815 0.34 . . . . 20.0 110.909 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -137.54 160.57 38.78 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.37 171.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -102.59 119.42 38.8 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.403 -0.362 . . . . 20.0 110.675 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.2 tp -115.38 114.56 25.27 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.076 -0.511 . . . . 20.0 110.171 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 29.8 mt -87.18 123.22 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-O 120.97 0.414 . . . . 20.0 110.591 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 47.9 t -134.19 123.56 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 115.841 -0.618 . . . . 20.0 110.144 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 36.0 t0 49.84 42.12 23.52 Favored 'General case' 0 CA--C 1.564 1.517 0 CA-C-O 121.086 0.47 . . . . 20.0 111.064 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 86.61 -21.38 18.62 Favored Glycine 0 CA--C 1.549 2.163 0 CA-C-N 116.172 -0.467 . . . . 20.0 113.04 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 56.9 mtt85 -89.24 135.74 33.41 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 116.887 0.343 . . . . 20.0 111.058 -177.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 99.8 t -81.59 122.67 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 116.48 -0.327 . . . . 20.0 110.209 173.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -108.21 116.87 32.76 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.398 -0.365 . . . . 20.0 110.476 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -79.84 117.17 20.47 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.276 -0.42 . . . . 20.0 110.282 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.1 mt -112.9 127.85 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-O 120.802 0.334 . . . . 20.0 111.082 -172.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 4.0 t -65.16 137.05 57.38 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.227 -0.442 . . . . 20.0 110.594 176.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 35.5 pt -68.69 -39.22 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 111.75 0.278 . . . . 20.0 111.75 -176.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.83 -64.43 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 N-CA-C 111.871 0.322 . . . . 20.0 111.871 -175.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 26.5 p -104.99 -3.24 23.5 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 115.984 -0.553 . . . . 20.0 112.358 -169.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 57.8 37.54 27.09 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 122.576 0.35 . . . . 20.0 111.668 -178.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -80.57 131.09 35.47 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 110.149 -0.315 . . . . 20.0 110.149 169.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 24.4 p -93.24 145.94 24.06 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.971 0.415 . . . . 20.0 111.279 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -138.24 140.52 39.73 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.807 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 75.9 t -82.86 -16.31 11.5 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.835 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 75.5 m -134.71 134.91 41.56 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.412 -0.358 . . . . 20.0 110.961 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.42 -33.27 73.42 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 116.301 -0.409 . . . . 20.0 111.12 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 17.3 p -52.08 -46.59 65.25 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 120.727 0.298 . . . . 20.0 111.104 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 6.7 m -69.51 -33.36 72.72 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.445 -0.343 . . . . 20.0 111.181 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 7.7 tp -63.12 -46.33 87.79 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 116.915 -0.13 . . . . 20.0 110.862 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -58.45 -48.9 79.23 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 120.818 0.342 . . . . 20.0 110.344 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -57.45 -42.25 82.11 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.916 -0.584 . . . . 20.0 110.959 177.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -68.56 -46.31 69.79 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 116.4 -0.364 . . . . 20.0 111.324 -176.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -60.7 -21.24 62.68 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 111.465 0.172 . . . . 20.0 111.465 -173.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.43 -25.01 58.97 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 120.536 0.208 . . . . 20.0 111.22 174.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 36.5 mt -75.9 -19.48 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 122.447 0.299 . . . . 20.0 111.202 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -96.74 -40.61 8.88 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.618 0.247 . . . . 20.0 111.051 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 81.0 p -81.94 -34.75 29.68 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.521 -0.309 . . . . 20.0 111.445 -175.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 36.5 m95 50.32 36.32 12.63 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.138 0.494 . . . . 20.0 110.856 -171.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -69.26 -28.93 66.75 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.108 -0.496 . . . . 20.0 110.922 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -129.16 122.85 30.66 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.351 -0.386 . . . . 20.0 110.349 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -93.43 150.5 20.41 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 116.216 -0.447 . . . . 20.0 110.653 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -124.03 79.92 57.98 Favored Pre-proline 0 CA--C 1.546 0.82 0 CA-C-N 116.12 -0.491 . . . . 20.0 110.219 175.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.44 153.66 31.05 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.947 2.432 . . . . 20.0 112.545 -178.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 5.1 t -79.74 170.44 16.52 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.073 -0.512 . . . . 20.0 110.936 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -106.48 -40.06 5.69 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 115.876 -0.602 . . . . 20.0 110.766 176.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -78.41 -21.88 48.62 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.33 -0.395 . . . . 20.0 111.44 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 23.0 p -140.33 173.36 11.58 Favored 'General case' 0 CA--C 1.556 1.197 0 CA-C-O 120.832 0.349 . . . . 20.0 110.779 176.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -92.05 11.32 25.7 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 116.457 -0.338 . . . . 20.0 111.836 -174.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -71.65 149.12 45.85 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 120.713 0.292 . . . . 20.0 111.093 -177.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 8.7 t -127.57 138.84 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 CA-C-N 116.346 -0.388 . . . . 20.0 111.025 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -124.66 160.11 55.07 Favored Pre-proline 0 N--CA 1.477 0.895 0 CA-C-N 115.898 -0.592 . . . . 20.0 110.715 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -89.18 0.15 6.11 Favored 'Trans proline' 0 CA--C 1.559 1.748 0 C-N-CA 123.082 2.521 . . . . 20.0 113.376 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 1.9 mp -134.06 143.19 47.9 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.766 0.317 . . . . 20.0 110.838 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.54 -40.28 80.75 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 116.239 -0.437 . . . . 20.0 111.148 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -57.13 -50.46 72.74 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 120.814 0.34 . . . . 20.0 110.687 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -60.58 -34.28 73.95 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.186 -0.461 . . . . 20.0 110.663 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -67.52 -47.48 69.81 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.487 -0.324 . . . . 20.0 110.886 175.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 49.4 m -61.03 -52.88 63.12 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 116.754 -0.203 . . . . 20.0 110.949 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -63.12 -34.26 77.22 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 116.776 -0.193 . . . . 20.0 111.01 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -65.43 -44.62 86.8 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 120.669 0.271 . . . . 20.0 110.838 174.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -66.31 -32.08 73.27 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 122.44 -0.163 . . . . 20.0 111.041 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 27.2 mt -62.31 -29.9 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-O 120.713 0.292 . . . . 20.0 110.619 172.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -76.76 -26.3 54.4 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 116.485 -0.325 . . . . 20.0 111.134 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -75.09 -40.37 60.11 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-O 120.577 0.227 . . . . 20.0 110.866 174.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 69.4 p -76.93 -36.09 56.85 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 116.578 -0.283 . . . . 20.0 111.099 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 85.47 16.94 63.17 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 121.355 -0.45 . . . . 20.0 112.181 -175.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -55.98 120.87 8.12 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 120.871 0.367 . . . . 20.0 111.147 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -71.28 124.81 25.37 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.339 -0.391 . . . . 20.0 110.195 172.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 34.0 mmm-85 -115.91 -55.9 2.37 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.235 -0.439 . . . . 20.0 111.214 -173.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -99.76 114.47 27.64 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.351 -0.386 . . . . 20.0 110.776 -172.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -105.51 130.37 53.59 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 120.837 0.351 . . . . 20.0 110.843 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 49.4 t -68.68 147.91 51.17 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.155 -0.475 . . . . 20.0 110.092 171.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 87.7 mt -102.86 -17.57 15.47 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 116.694 -0.23 . . . . 20.0 111.313 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.13 -48.47 23.54 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 116.647 -0.251 . . . . 20.0 111.095 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 31.8 p -119.91 -2.55 10.29 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 112.092 0.405 . . . . 20.0 112.092 -174.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 80.02 -1.51 79.41 Favored Glycine 0 CA--C 1.557 2.695 0 C-N-CA 120.993 -0.622 . . . . 20.0 113.56 172.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -68.98 140.24 55.04 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-N 117.228 0.514 . . . . 20.0 111.026 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 43.9 m -107.0 147.04 30.38 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 116.327 -0.397 . . . . 20.0 111.178 -177.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -131.98 156.58 45.96 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.926 -0.579 . . . . 20.0 110.729 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 5.9 tt -79.51 -23.94 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 116.242 -0.435 . . . . 20.0 111.651 -172.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -151.6 169.66 21.57 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-O 121.046 0.45 . . . . 20.0 111.156 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -66.95 -39.08 87.17 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 116.001 -0.545 . . . . 20.0 111.275 -175.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.6 mp0 -58.48 -44.92 89.55 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.622 -0.263 . . . . 20.0 111.155 -174.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -68.14 -42.95 79.38 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.598 -0.274 . . . . 20.0 111.018 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -40.37 92.03 Favored 'General case' 0 CA--C 1.554 1.096 0 CA-C-N 116.696 -0.229 . . . . 20.0 111.093 -176.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 34.8 t -63.78 -46.08 86.84 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.602 0.239 . . . . 20.0 110.618 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 16.5 t -58.15 -41.81 84.56 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 116.419 -0.355 . . . . 20.0 110.815 176.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -62.52 -47.86 82.08 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 116.412 -0.358 . . . . 20.0 111.353 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 57.2 mt -64.43 -39.67 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-O 120.596 0.236 . . . . 20.0 110.654 -177.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -67.08 -44.69 79.39 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.574 -0.284 . . . . 20.0 111.097 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 22.9 t -74.84 -39.39 61.64 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 111.709 0.263 . . . . 20.0 111.709 -175.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 77.1 t -92.19 -47.0 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 111.615 0.228 . . . . 20.0 111.615 -170.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 CA--C 1.548 0.898 0 CA-C-N 116.603 -0.271 . . . . 20.0 111.573 -173.328 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 111.547 0.202 . . . . 20.0 111.547 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -147.82 162.27 39.58 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.963 0.411 . . . . 20.0 111.221 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -140.18 138.68 35.35 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.784 -0.644 . . . . 20.0 110.308 176.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -103.07 117.36 34.39 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.429 -0.35 . . . . 20.0 110.57 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -92.05 160.63 35.24 Favored Pre-proline 0 CA--C 1.553 1.077 0 CA-C-N 116.178 -0.464 . . . . 20.0 110.675 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.49 161.44 43.38 Favored 'Trans proline' 0 CA--C 1.544 1.017 0 C-N-CA 122.713 2.275 . . . . 20.0 112.636 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 42.1 t -100.38 130.23 46.45 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.111 -0.495 . . . . 20.0 110.333 173.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -123.72 -14.31 7.27 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 116.433 -0.349 . . . . 20.0 111.445 -177.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 37.4 m -69.97 -23.72 63.22 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 116.617 -0.265 . . . . 20.0 111.46 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.9 pp -140.26 164.94 28.73 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-O 120.923 0.392 . . . . 20.0 110.868 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -82.79 117.35 22.62 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 116.037 -0.529 . . . . 20.0 111.561 -170.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 33.3 pt -143.95 166.55 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 CA-C-N 115.781 -0.645 . . . . 20.0 110.25 173.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -71.22 138.4 49.45 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 110.007 -0.368 . . . . 20.0 110.007 171.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -111.16 96.33 6.07 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.35 -0.386 . . . . 20.0 110.768 -172.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -51.87 142.03 16.23 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.889 -0.596 . . . . 20.0 110.906 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -61.96 -18.11 59.23 Favored 'General case' 0 CA--C 1.557 1.239 0 N-CA-C 111.679 0.251 . . . . 20.0 111.679 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -81.35 -18.78 44.43 Favored 'General case' 0 CA--C 1.554 1.119 0 CA-C-O 120.631 0.253 . . . . 20.0 111.205 176.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.751 0 CA-C-N 116.467 -0.333 . . . . 20.0 110.515 170.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 33.7 p30 . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 112.558 0.577 . . . . 20.0 112.558 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -160.54 174.01 14.68 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 121.023 0.439 . . . . 20.0 111.782 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -138.62 162.05 35.59 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.486 -0.779 . . . . 20.0 110.095 171.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -102.78 120.75 41.14 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.451 -0.34 . . . . 20.0 110.744 -177.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.3 tp -117.07 116.33 27.12 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.004 -0.544 . . . . 20.0 110.158 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 33.7 mt -89.38 123.57 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 120.958 0.408 . . . . 20.0 110.606 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 45.2 t -138.51 129.51 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 115.755 -0.657 . . . . 20.0 110.096 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.03 36.62 19.16 Favored 'General case' 0 CA--C 1.564 1.498 0 CA-C-O 120.935 0.398 . . . . 20.0 111.208 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.68 0.84 85.73 Favored Glycine 0 CA--C 1.552 2.36 0 CA-C-N 116.5 -0.318 . . . . 20.0 112.911 177.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -107.66 134.77 50.17 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.513 0.325 . . . . 20.0 110.7 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 89.0 t -81.37 121.5 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 116.589 -0.278 . . . . 20.0 110.318 174.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -108.76 115.58 30.35 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.523 177.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -79.83 116.03 19.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.329 -0.396 . . . . 20.0 110.027 176.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 2.8 mt -109.26 128.41 65.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-N 116.379 -0.373 . . . . 20.0 110.968 -172.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 2.6 t -65.8 135.65 55.16 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.066 -0.515 . . . . 20.0 110.629 175.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 35.7 pt -69.4 -38.23 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 111.774 0.287 . . . . 20.0 111.774 -175.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 47.8 t -60.81 -64.8 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 N-CA-C 111.81 0.3 . . . . 20.0 111.81 -176.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 29.1 p -105.11 -3.81 22.63 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.33 0.493 . . . . 20.0 112.33 -169.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 59.45 36.29 23.08 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 122.593 0.357 . . . . 20.0 111.768 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -80.43 131.39 35.58 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 110.058 -0.349 . . . . 20.0 110.058 169.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 21.4 p -92.49 146.09 23.95 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.311 -0.404 . . . . 20.0 111.235 -176.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -137.53 138.08 39.27 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.972 -0.558 . . . . 20.0 110.923 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 52.8 t -80.08 -15.82 12.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-N 115.945 -0.571 . . . . 20.0 111.029 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 78.9 m -136.57 135.13 38.16 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.778 0.323 . . . . 20.0 110.871 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 30.3 mt -60.31 -36.21 77.37 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 116.345 -0.389 . . . . 20.0 110.971 177.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 14.2 p -54.11 -39.57 66.51 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 120.816 0.341 . . . . 20.0 110.875 175.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 5.4 t -69.39 -40.09 77.6 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.07 -0.514 . . . . 20.0 110.867 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.29 -45.35 93.63 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.326 -0.397 . . . . 20.0 111.114 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -58.31 -46.65 85.76 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 120.772 0.32 . . . . 20.0 110.271 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -55.73 -45.21 78.0 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.862 -0.608 . . . . 20.0 110.634 175.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -69.21 -48.68 61.37 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 116.222 -0.445 . . . . 20.0 111.425 -174.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -61.85 -21.0 64.29 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-O 120.505 0.193 . . . . 20.0 111.491 -171.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -23.02 62.94 Favored 'General case' 0 CA--C 1.561 1.399 0 CA-C-N 116.749 -0.205 . . . . 20.0 111.217 175.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 38.0 mt -76.54 -19.17 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-O 120.599 0.238 . . . . 20.0 110.95 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -97.85 -42.41 7.58 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.717 0.294 . . . . 20.0 110.985 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 89.3 p -78.57 -34.01 47.24 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.362 -0.381 . . . . 20.0 111.329 -176.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 61.5 m95 50.65 39.44 21.61 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 121.212 0.529 . . . . 20.0 110.521 -169.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.44 -30.24 70.55 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.802 -0.635 . . . . 20.0 111.006 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -133.53 122.8 24.11 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.269 -0.423 . . . . 20.0 110.454 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -92.94 143.53 26.16 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.287 -0.415 . . . . 20.0 110.421 174.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -122.41 79.93 45.9 Favored Pre-proline 0 CA--C 1.541 0.612 0 CA-C-N 116.16 -0.473 . . . . 20.0 110.471 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.84 148.95 46.97 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.623 2.215 . . . . 20.0 112.42 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 24.5 t -73.61 170.48 15.13 Favored 'General case' 0 CA--C 1.557 1.235 0 CA-C-N 115.876 -0.602 . . . . 20.0 110.42 173.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -110.43 -39.96 4.78 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 116.205 -0.452 . . . . 20.0 110.841 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -79.16 -20.83 47.52 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 116.299 -0.409 . . . . 20.0 111.348 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.8 p -139.66 170.49 15.79 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 120.666 0.27 . . . . 20.0 110.594 172.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -94.36 16.78 14.24 Favored 'General case' 0 CA--C 1.564 1.486 0 N-CA-C 112.268 0.47 . . . . 20.0 112.268 -169.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -78.82 161.73 26.58 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 120.772 0.32 . . . . 20.0 110.956 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 15.2 t -130.69 139.07 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 CA-C-N 116.168 -0.469 . . . . 20.0 111.124 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -109.98 152.19 42.89 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 115.928 -0.578 . . . . 20.0 110.673 175.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -83.62 -3.32 10.63 Favored 'Trans proline' 0 CA--C 1.557 1.64 0 C-N-CA 122.838 2.358 . . . . 20.0 112.776 175.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.1 mp -134.19 146.06 49.8 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.586 0.355 . . . . 20.0 110.313 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -67.58 -49.58 62.47 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.628 -0.26 . . . . 20.0 111.168 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -56.94 -35.68 69.36 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.67 -0.241 . . . . 20.0 111.098 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -63.44 -40.46 97.21 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.734 -0.212 . . . . 20.0 110.716 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.04 -39.71 93.25 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.648 0.261 . . . . 20.0 110.318 175.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 24.3 m -67.17 -55.79 12.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.436 -0.347 . . . . 20.0 110.892 -175.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -61.18 -34.66 75.41 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.639 -0.255 . . . . 20.0 110.839 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -66.01 -46.85 76.44 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-O 120.63 0.252 . . . . 20.0 111.049 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -65.65 -31.72 72.9 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 122.391 -0.193 . . . . 20.0 111.056 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 9.5 mt -59.6 -33.92 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-O 120.985 0.422 . . . . 20.0 110.397 171.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -29.48 67.37 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.17 -0.468 . . . . 20.0 110.881 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -78.25 -42.65 30.46 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 116.665 -0.243 . . . . 20.0 111.141 177.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 82.4 p -76.0 -18.22 59.37 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 116.825 -0.17 . . . . 20.0 111.311 -177.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 76.64 15.91 81.18 Favored Glycine 0 CA--C 1.543 1.794 0 C-N-CA 121.442 -0.409 . . . . 20.0 112.346 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.46 109.69 1.24 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 120.817 0.341 . . . . 20.0 110.981 -176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 64.2 mtm180 -80.1 127.36 32.22 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.868 0.366 . . . . 20.0 110.145 175.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -107.72 -51.45 2.9 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.909 -0.587 . . . . 20.0 111.581 -169.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -97.68 110.43 22.99 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.365 -0.379 . . . . 20.0 110.871 -171.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -93.04 123.69 36.48 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.351 -0.386 . . . . 20.0 110.645 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 35.3 t -77.29 100.01 5.72 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.283 -0.417 . . . . 20.0 110.535 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 75.2 mt -61.83 -15.06 38.95 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 111.887 0.329 . . . . 20.0 111.887 -175.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.07 -50.07 17.63 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-O 120.352 0.12 . . . . 20.0 111.317 -177.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.7 p -120.07 -5.28 10.02 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 111.88 0.326 . . . . 20.0 111.88 -174.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 91.51 -7.87 79.48 Favored Glycine 0 CA--C 1.551 2.33 0 C-N-CA 121.536 -0.364 . . . . 20.0 113.274 174.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -74.61 133.48 42.17 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 117.293 0.546 . . . . 20.0 110.86 -175.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 49.8 m -105.96 150.15 25.96 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.435 -0.348 . . . . 20.0 110.969 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -130.2 154.76 47.21 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.151 -0.477 . . . . 20.0 110.882 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.5 tt -76.21 -23.04 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 116.196 -0.456 . . . . 20.0 111.58 -173.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 29.5 p30 -153.26 170.95 19.34 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.83 0.348 . . . . 20.0 110.901 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -71.85 -34.34 69.18 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.273 -0.421 . . . . 20.0 111.063 -175.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.7 mp0 -55.68 -44.51 77.38 Favored 'General case' 0 CA--C 1.554 1.116 0 O-C-N 122.205 -0.309 . . . . 20.0 110.893 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -69.44 -46.58 66.39 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.623 -0.262 . . . . 20.0 111.176 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -61.93 -46.84 87.56 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 120.673 0.273 . . . . 20.0 111.036 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 31.9 t -59.34 -46.66 88.01 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.488 -0.324 . . . . 20.0 110.741 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 23.0 t -59.83 -43.13 94.72 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.46 -0.336 . . . . 20.0 110.889 177.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -64.83 -48.16 75.36 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 116.399 -0.364 . . . . 20.0 111.339 -177.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 17.2 mt -66.79 -35.08 73.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-O 120.565 0.222 . . . . 20.0 110.782 -177.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -68.19 -42.55 79.74 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.603 -0.271 . . . . 20.0 111.026 176.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 36.8 m -78.59 -35.53 45.65 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.563 -0.29 . . . . 20.0 111.781 -173.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 71.7 t -99.01 -45.91 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 CA-C-O 120.534 0.207 . . . . 20.0 111.486 -170.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 . . . . . 0 CA--C 1.551 1.012 0 CA-C-N 116.676 -0.238 . . . . 20.0 111.448 -174.557 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 120.522 0.201 . . . . 20.0 111.435 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -146.95 161.89 39.85 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.993 0.425 . . . . 20.0 111.204 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -130.24 129.37 43.24 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.742 -0.663 . . . . 20.0 110.172 175.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -97.1 106.53 18.89 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 120.889 0.376 . . . . 20.0 110.492 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -82.24 155.62 69.43 Favored Pre-proline 0 CA--C 1.548 0.883 0 CA-C-N 116.108 -0.496 . . . . 20.0 110.67 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -66.24 160.87 43.01 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.441 2.094 . . . . 20.0 112.369 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 46.4 t -98.54 131.66 44.59 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.997 -0.547 . . . . 20.0 110.342 173.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.95 -14.82 3.06 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 116.514 -0.312 . . . . 20.0 111.568 -176.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 30.0 p -67.42 -21.34 65.57 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 122.19 0.196 . . . . 20.0 111.498 -177.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.5 pp -138.28 166.03 25.23 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 120.836 0.35 . . . . 20.0 110.822 177.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -88.74 107.68 19.08 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 116.216 -0.447 . . . . 20.0 111.569 -170.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 30.1 pt -145.35 170.99 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 CA-C-N 115.845 -0.616 . . . . 20.0 110.033 170.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -76.1 143.66 41.15 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 109.969 -0.382 . . . . 20.0 109.969 171.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -129.6 122.86 29.94 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.945 0.402 . . . . 20.0 110.557 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -67.24 156.36 36.51 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.861 -0.609 . . . . 20.0 111.138 -176.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.75 -12.15 61.41 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-N 116.245 -0.434 . . . . 20.0 111.785 -174.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -80.08 -16.59 54.68 Favored 'General case' 0 CA--C 1.555 1.154 0 O-C-N 122.498 -0.126 . . . . 20.0 111.335 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 110.292 -0.262 . . . . 20.0 110.292 169.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 18.4 p30 . . . . . 0 CA--C 1.554 1.133 0 CA-C-O 120.615 0.245 . . . . 20.0 111.393 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -161.16 174.93 12.94 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 120.935 0.398 . . . . 20.0 111.199 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -135.15 159.03 42.81 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.631 -0.713 . . . . 20.0 110.027 169.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 45.6 mp0 -104.61 129.19 52.75 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.968 0.413 . . . . 20.0 110.841 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 13.8 tp -126.34 111.87 15.01 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.896 -0.593 . . . . 20.0 110.163 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 27.7 mt -84.11 125.4 40.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 120.93 0.395 . . . . 20.0 110.748 -176.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 45.6 t -138.32 126.81 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 115.829 -0.623 . . . . 20.0 110.202 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 39.9 t0 50.64 38.04 17.98 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 121.01 0.433 . . . . 20.0 111.162 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 88.08 -21.88 21.69 Favored Glycine 0 CA--C 1.547 2.091 0 CA-C-N 116.18 -0.464 . . . . 20.0 113.054 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -89.87 138.56 31.39 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 116.905 0.353 . . . . 20.0 111.009 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 53.2 t -80.01 125.01 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.151 171.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -108.16 111.69 23.83 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.895 0.379 . . . . 20.0 110.393 175.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -79.87 122.12 26.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.172 -0.467 . . . . 20.0 110.304 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.9 mt -114.71 129.47 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 120.858 0.361 . . . . 20.0 110.89 -172.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 5.3 t -65.84 137.98 57.58 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.135 -0.484 . . . . 20.0 110.595 176.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 27.1 pt -70.56 -38.93 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 111.739 0.274 . . . . 20.0 111.739 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 44.7 t -60.92 -64.39 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-O 120.649 0.262 . . . . 20.0 111.665 -176.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 29.2 p -105.13 -5.67 20.58 Favored 'General case' 0 CA--C 1.557 1.227 0 N-CA-C 112.412 0.523 . . . . 20.0 112.412 -169.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 59.96 38.14 21.05 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 122.693 0.397 . . . . 20.0 111.78 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -81.22 131.45 35.3 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 109.99 -0.374 . . . . 20.0 109.99 169.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 29.9 p -96.1 143.31 27.35 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 120.982 0.42 . . . . 20.0 111.253 -175.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -133.49 135.41 44.44 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.65 -0.705 . . . . 20.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 57.2 t -75.28 -17.22 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 CA-C-N 116.016 -0.538 . . . . 20.0 110.949 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 71.2 m -135.39 136.68 41.64 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.427 -0.352 . . . . 20.0 110.888 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 14.7 mt -55.49 -35.7 65.85 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 116.349 -0.387 . . . . 20.0 110.793 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 32.7 p -52.02 -45.31 64.56 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.534 -0.303 . . . . 20.0 110.978 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 19.2 m -66.26 -38.91 88.97 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.534 -0.303 . . . . 20.0 111.014 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.2 -47.59 81.91 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 116.499 -0.319 . . . . 20.0 110.962 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -46.21 89.45 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 120.774 0.321 . . . . 20.0 110.257 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -51.38 -47.46 62.85 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.85 -0.614 . . . . 20.0 110.839 172.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -71.14 -45.01 64.4 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 116.24 -0.436 . . . . 20.0 111.519 -173.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -60.95 -24.7 66.28 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 120.549 0.214 . . . . 20.0 111.287 -173.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -22.0 60.3 Favored 'General case' 0 CA--C 1.562 1.41 0 CA-C-N 116.679 -0.237 . . . . 20.0 111.306 175.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 32.0 mt -77.72 -19.56 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 122.352 0.261 . . . . 20.0 111.13 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -96.11 -44.27 7.38 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.623 0.249 . . . . 20.0 110.88 177.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 84.5 p -78.59 -34.19 46.98 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.506 -0.316 . . . . 20.0 111.345 -176.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 52.6 m95 51.9 34.69 14.01 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-O 121.107 0.479 . . . . 20.0 110.915 -173.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -69.52 -31.32 69.47 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 116.033 -0.53 . . . . 20.0 111.318 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -123.24 133.16 54.22 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 116.508 -0.314 . . . . 20.0 110.547 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -100.75 145.36 28.6 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.067 -0.515 . . . . 20.0 110.833 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -126.94 79.87 72.1 Favored Pre-proline 0 CA--C 1.55 0.967 0 CA-C-N 115.971 -0.558 . . . . 20.0 110.428 173.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.62 151.18 32.2 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.704 2.269 . . . . 20.0 112.533 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 43.9 t -86.64 142.64 28.09 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 116.079 -0.51 . . . . 20.0 110.772 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.14 -34.91 64.03 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 116.583 -0.281 . . . . 20.0 111.143 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -84.91 -26.6 27.16 Favored 'General case' 0 CA--C 1.557 1.219 0 CA-C-N 116.312 -0.403 . . . . 20.0 111.926 -171.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.9 p -140.03 160.41 39.98 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 120.862 0.363 . . . . 20.0 110.871 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -85.8 32.25 0.6 Allowed 'General case' 0 CA--C 1.563 1.443 0 CA-C-N 116.402 -0.363 . . . . 20.0 111.94 -170.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -94.39 163.57 13.37 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 120.829 0.347 . . . . 20.0 111.004 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 10.6 t -133.39 137.79 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 CA-C-N 115.99 -0.55 . . . . 20.0 110.964 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -106.97 152.11 40.86 Favored Pre-proline 0 CA--C 1.543 0.69 0 CA-C-N 115.977 -0.556 . . . . 20.0 110.754 176.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -83.03 -5.52 11.3 Favored 'Trans proline' 0 CA--C 1.551 1.348 0 C-N-CA 122.885 2.39 . . . . 20.0 112.629 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.4 mp -132.96 144.79 50.36 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.559 0.344 . . . . 20.0 110.506 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.29 91.45 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 116.312 -0.404 . . . . 20.0 111.057 176.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -61.92 -47.68 83.82 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.551 -0.295 . . . . 20.0 110.824 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -60.49 -35.56 76.22 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.457 -0.338 . . . . 20.0 110.766 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -59.28 5.6 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.288 -0.414 . . . . 20.0 110.342 171.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 96.0 m -57.1 -51.19 70.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.129 -0.487 . . . . 20.0 111.121 -172.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -61.21 -37.44 83.02 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.699 -0.228 . . . . 20.0 111.022 -177.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -68.92 -43.17 75.68 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.542 0.21 . . . . 20.0 110.928 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -65.46 -31.62 72.8 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 116.795 -0.184 . . . . 20.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 41.7 mt -62.1 -43.67 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 110.326 -0.25 . . . . 20.0 110.326 171.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -62.25 -32.71 73.44 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 116.502 -0.317 . . . . 20.0 110.906 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -72.26 -42.76 65.24 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 120.725 0.298 . . . . 20.0 110.936 173.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 10.6 m -76.28 -24.5 54.45 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 116.247 -0.433 . . . . 20.0 111.313 -173.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 84.74 8.92 82.07 Favored Glycine 0 CA--C 1.546 1.975 0 C-N-CA 121.62 -0.324 . . . . 20.0 112.923 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.79 121.65 14.52 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 117.007 0.403 . . . . 20.0 111.278 -176.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -83.09 137.14 34.22 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 116.269 -0.423 . . . . 20.0 110.214 170.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 9.9 ptm85 -129.76 -36.14 1.63 Allowed 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 116.43 -0.35 . . . . 20.0 111.53 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -94.96 108.92 20.98 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 110.491 -0.189 . . . . 20.0 110.491 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -103.63 129.47 50.93 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.768 0.318 . . . . 20.0 110.757 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 42.0 t -68.11 146.31 53.58 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.152 -0.476 . . . . 20.0 110.262 171.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 87.6 mt -102.53 -17.63 15.66 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 120.544 0.211 . . . . 20.0 111.367 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.05 -48.73 22.5 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-O 120.524 0.202 . . . . 20.0 111.128 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.4 p -120.06 -1.26 10.4 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 111.935 0.346 . . . . 20.0 111.935 -176.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 79.94 0.65 85.91 Favored Glycine 0 CA--C 1.554 2.523 0 C-N-CA 121.126 -0.559 . . . . 20.0 113.453 172.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -70.14 139.08 52.38 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 117.351 0.576 . . . . 20.0 111.008 -177.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 21.4 m -105.16 144.6 31.73 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 116.321 -0.4 . . . . 20.0 111.094 -177.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -131.47 158.45 40.81 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 116.201 -0.454 . . . . 20.0 111.072 -175.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 5.7 tt -84.86 -26.28 6.82 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 CA-C-N 116.094 -0.503 . . . . 20.0 111.693 -172.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 41.2 p30 -153.82 172.78 16.81 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-O 120.864 0.364 . . . . 20.0 111.283 -178.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -67.82 -35.88 79.4 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.103 -0.499 . . . . 20.0 111.195 -175.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.2 mp0 -61.72 -48.52 80.38 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 116.515 -0.312 . . . . 20.0 111.005 -174.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -68.14 -44.33 76.29 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.633 -0.258 . . . . 20.0 110.868 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -56.81 -50.23 72.98 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 120.679 0.276 . . . . 20.0 111.072 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 36.6 t -58.73 -46.49 87.26 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.604 -0.271 . . . . 20.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 23.0 t -58.41 -41.19 84.39 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.757 0.313 . . . . 20.0 111.105 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -63.32 -50.6 69.37 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.542 -0.299 . . . . 20.0 111.159 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 63.5 mt -64.75 -37.66 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-O 120.534 0.207 . . . . 20.0 110.598 -176.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -64.71 -46.68 81.28 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.681 -0.236 . . . . 20.0 111.163 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 23.7 p -77.48 -33.08 54.64 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 111.711 0.263 . . . . 20.0 111.711 -174.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 69.2 t -95.18 -50.46 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 111.457 0.169 . . . . 20.0 111.457 -173.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 . . . . . 0 CA--C 1.555 1.16 0 CA-C-N 116.656 -0.247 . . . . 20.0 111.658 -172.061 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 111.608 0.225 . . . . 20.0 111.608 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -148.75 164.19 35.11 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 120.95 0.405 . . . . 20.0 111.332 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -139.42 146.05 39.65 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.84 -0.618 . . . . 20.0 110.52 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -103.48 124.57 49.0 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.892 0.377 . . . . 20.0 110.817 -177.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -99.49 151.0 37.28 Favored Pre-proline 0 CA--C 1.556 1.21 0 CA-C-N 116.071 -0.513 . . . . 20.0 110.552 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.5 146.09 65.41 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.793 2.329 . . . . 20.0 113.023 -175.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 43.0 t -85.25 119.37 25.56 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.981 -0.554 . . . . 20.0 110.042 170.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -134.17 -10.57 2.58 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 112.016 0.376 . . . . 20.0 112.016 -171.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 24.7 m -74.14 -19.08 60.69 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 111.597 0.221 . . . . 20.0 111.597 -174.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.3 pp -139.85 167.25 22.55 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 120.769 0.319 . . . . 20.0 110.809 176.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -78.41 113.42 16.39 Favored 'General case' 0 CA--C 1.556 1.207 0 CA-C-N 116.112 -0.495 . . . . 20.0 111.624 -170.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 23.0 pt -144.09 168.58 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 CA-C-N 115.861 -0.608 . . . . 20.0 110.204 173.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -69.25 141.56 54.38 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 110.056 -0.349 . . . . 20.0 110.056 170.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -112.0 91.5 3.68 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.007 0.432 . . . . 20.0 110.669 -173.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -56.22 142.74 36.19 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.83 -0.623 . . . . 20.0 110.993 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -65.51 -15.89 63.13 Favored 'General case' 0 CA--C 1.559 1.294 0 CA-C-N 116.443 -0.344 . . . . 20.0 111.902 -175.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -80.04 -19.04 48.54 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 122.398 -0.189 . . . . 20.0 111.103 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.766 0.317 . . . . 20.0 110.632 169.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 10.9 p30 . . . . . 0 CA--C 1.556 1.196 0 CA-C-O 120.609 0.243 . . . . 20.0 111.084 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -160.21 173.82 15.16 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.51 0.324 . . . . 20.0 110.658 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -133.87 153.92 51.41 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.143 -0.48 . . . . 20.0 110.321 169.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -108.21 141.7 39.56 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.072 0.463 . . . . 20.0 110.999 -174.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 17.3 tp -137.04 115.46 11.85 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.719 -0.673 . . . . 20.0 110.321 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 33.2 mt -85.74 121.84 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-O 120.92 0.39 . . . . 20.0 110.542 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 42.3 t -137.0 129.04 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 115.817 -0.629 . . . . 20.0 110.12 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.74 36.13 20.36 Favored 'General case' 0 CA--C 1.565 1.538 0 CA-C-O 120.954 0.406 . . . . 20.0 111.227 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 78.89 5.13 88.79 Favored Glycine 0 CA--C 1.549 2.188 0 CA-C-N 116.375 -0.375 . . . . 20.0 112.862 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -113.19 137.27 51.72 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.511 0.325 . . . . 20.0 110.68 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 81.0 t -79.98 120.33 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 N-CA-C 110.249 -0.278 . . . . 20.0 110.249 174.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -101.88 151.42 22.11 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.218 172.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -116.51 127.22 54.34 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.215 -0.448 . . . . 20.0 109.978 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.3 mt -120.69 131.65 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.02 0.438 . . . . 20.0 111.206 -169.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 11.6 t -68.52 136.52 53.27 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.897 -0.592 . . . . 20.0 110.762 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 16.8 pt -68.62 -40.04 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 116.678 -0.237 . . . . 20.0 111.487 -176.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 49.1 t -60.89 -65.42 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 N-CA-C 111.929 0.344 . . . . 20.0 111.929 -176.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.7 p -105.11 -4.57 21.71 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 112.541 0.571 . . . . 20.0 112.541 -169.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 62.7 mttp 60.77 35.28 19.61 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 122.629 0.372 . . . . 20.0 111.891 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -71.89 129.65 39.11 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 110.003 -0.369 . . . . 20.0 110.003 169.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 30.8 p -95.33 144.98 25.43 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 120.958 0.409 . . . . 20.0 111.179 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . 0.448 ' HH ' ' CG ' ' A' ' 512' ' ' HIS . 82.2 m-85 -140.23 144.34 36.46 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.854 -0.612 . . . . 20.0 111.128 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 82.1 t -82.04 -17.21 11.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-N 115.946 -0.57 . . . . 20.0 110.84 175.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 59.6 m -135.75 135.15 39.73 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 120.826 0.346 . . . . 20.0 111.186 -177.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.87 -33.26 68.51 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 116.295 -0.411 . . . . 20.0 110.841 175.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 24.0 p -52.62 -45.51 66.63 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 120.707 0.289 . . . . 20.0 110.899 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 18.3 m -66.63 -41.43 88.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.425 -0.352 . . . . 20.0 110.924 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 6.3 tp -62.13 -47.06 86.26 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 116.43 -0.35 . . . . 20.0 111.013 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -46.73 84.34 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 120.642 0.258 . . . . 20.0 110.679 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -56.0 -40.58 73.55 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 116.211 -0.45 . . . . 20.0 110.929 175.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . 0.448 ' CG ' ' HH ' ' A' ' 503' ' ' TYR . 5.9 t60 -71.51 -45.15 63.21 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 116.471 -0.331 . . . . 20.0 111.426 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -59.74 -23.41 63.18 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 111.554 0.205 . . . . 20.0 111.554 -173.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.92 -26.4 62.16 Favored 'General case' 0 CA--C 1.562 1.442 0 C-N-CA 122.184 0.194 . . . . 20.0 110.989 175.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 35.1 mt -74.9 -20.15 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 122.482 0.313 . . . . 20.0 111.13 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -95.46 -44.76 7.39 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.641 0.258 . . . . 20.0 110.882 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 91.8 p -71.95 -37.06 70.04 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.437 -0.347 . . . . 20.0 111.324 -176.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 73.5 m95 50.35 31.57 5.47 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 121.195 0.522 . . . . 20.0 110.478 -169.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.3 -31.73 64.2 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.814 -0.63 . . . . 20.0 110.65 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -126.9 113.52 16.65 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.071 -0.513 . . . . 20.0 110.34 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -93.69 151.01 19.94 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 116.284 -0.416 . . . . 20.0 110.926 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -128.22 80.24 72.63 Favored Pre-proline 0 CA--C 1.552 1.039 0 CA-C-N 116.049 -0.523 . . . . 20.0 110.5 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -69.52 141.27 45.76 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.834 2.356 . . . . 20.0 112.395 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 53.4 t -74.98 143.06 43.81 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.278 -0.419 . . . . 20.0 110.608 174.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -76.07 -39.59 55.05 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 120.772 0.32 . . . . 20.0 111.031 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -84.32 -20.88 31.33 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-N 116.033 -0.531 . . . . 20.0 111.979 -169.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.9 p -142.27 163.42 32.9 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 120.791 0.329 . . . . 20.0 110.677 174.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -87.41 28.98 0.9 Allowed 'General case' 0 CA--C 1.562 1.434 0 N-CA-C 112.269 0.47 . . . . 20.0 112.269 -169.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.14 163.67 13.37 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 120.864 0.364 . . . . 20.0 111.103 176.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 21.3 t -128.53 138.44 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 116.025 -0.534 . . . . 20.0 110.851 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -106.44 150.84 40.0 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 116.028 -0.533 . . . . 20.0 110.605 175.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -86.23 -5.68 8.42 Favored 'Trans proline' 0 CA--C 1.55 1.285 0 C-N-CA 122.91 2.407 . . . . 20.0 112.617 176.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.8 mp -132.18 140.92 48.91 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.581 0.352 . . . . 20.0 110.106 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.04 94.24 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 120.634 0.254 . . . . 20.0 111.016 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.0 -39.53 93.58 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 116.667 -0.242 . . . . 20.0 111.052 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -59.71 -39.18 83.77 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 120.447 0.165 . . . . 20.0 110.605 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -50.77 69.56 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.548 -0.296 . . . . 20.0 110.504 173.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 37.7 m -53.61 -51.34 63.36 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 116.629 -0.259 . . . . 20.0 111.055 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -58.24 -38.26 76.53 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 120.578 0.227 . . . . 20.0 111.096 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -70.32 -40.96 73.88 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 120.581 0.229 . . . . 20.0 111.052 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -68.94 -27.93 66.19 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-O 120.556 0.217 . . . . 20.0 110.786 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 14.3 mt -66.01 -30.42 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 116.552 -0.295 . . . . 20.0 110.382 169.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -74.98 -28.65 60.64 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.281 -0.418 . . . . 20.0 111.125 175.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -76.2 -41.76 48.42 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 120.788 0.327 . . . . 20.0 110.908 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 18.6 p -82.21 -16.81 48.32 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 116.221 -0.445 . . . . 20.0 111.433 -176.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 78.94 14.56 81.87 Favored Glycine 0 CA--C 1.544 1.863 0 C-N-CA 121.522 -0.371 . . . . 20.0 112.801 175.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.7 109.82 1.53 Allowed 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.863 0.363 . . . . 20.0 111.0 -177.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -97.07 96.69 8.64 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.297 -0.41 . . . . 20.0 110.519 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 -95.61 -24.34 16.62 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 115.975 -0.557 . . . . 20.0 111.928 -171.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -88.02 93.88 9.62 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.842 0.353 . . . . 20.0 110.471 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -95.39 128.94 42.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.299 -0.41 . . . . 20.0 110.918 -176.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 44.5 t -69.16 146.97 52.01 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.046 -0.525 . . . . 20.0 109.898 170.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 95.6 mt -103.79 -16.58 15.38 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 116.762 -0.199 . . . . 20.0 111.235 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.06 -48.49 23.67 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 116.655 -0.248 . . . . 20.0 111.17 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.9 p -120.01 -3.49 10.14 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 111.97 0.359 . . . . 20.0 111.97 -175.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 82.5 -3.13 83.51 Favored Glycine 0 CA--C 1.556 2.65 0 C-N-CA 121.1 -0.571 . . . . 20.0 113.513 172.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -69.74 139.9 53.39 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 117.379 0.59 . . . . 20.0 111.04 -176.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 19.7 m -104.69 144.71 31.36 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 116.343 -0.389 . . . . 20.0 111.344 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -132.1 161.41 33.35 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.957 -0.565 . . . . 20.0 110.677 -179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -83.83 -24.52 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 N-CA-C 111.989 0.366 . . . . 20.0 111.989 -169.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 34.6 p30 -152.67 173.55 15.09 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 120.978 0.418 . . . . 20.0 111.432 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -65.58 -35.82 81.94 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.972 -0.558 . . . . 20.0 111.131 -176.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -63.05 -44.11 96.74 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 116.393 -0.367 . . . . 20.0 110.91 -174.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -69.33 -47.83 63.27 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.543 -0.299 . . . . 20.0 111.114 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -40.3 95.99 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 120.489 0.185 . . . . 20.0 110.838 -177.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 47.1 t -63.32 -46.97 84.19 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.745 -0.207 . . . . 20.0 110.71 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 21.7 t -60.64 -38.0 83.36 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.895 0.379 . . . . 20.0 110.994 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -65.1 -47.59 76.67 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.427 -0.351 . . . . 20.0 110.969 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 73.8 mt -63.98 -44.47 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 120.461 0.172 . . . . 20.0 111.015 -176.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -65.53 -37.14 85.87 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 121.342 -0.143 . . . . 20.0 111.267 -176.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 78.7 p -89.87 -28.52 19.19 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 111.905 0.335 . . . . 20.0 111.905 -171.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 70.6 t -95.46 -48.86 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 CA-C-O 120.548 0.213 . . . . 20.0 111.161 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 . . . . . 0 CA--C 1.552 1.052 0 CA-C-N 116.557 -0.292 . . . . 20.0 111.561 -173.098 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 111.772 0.286 . . . . 20.0 111.772 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -144.68 155.79 43.76 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.043 0.449 . . . . 20.0 111.343 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -132.78 134.29 44.52 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.695 -0.684 . . . . 20.0 110.083 175.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -103.8 111.82 24.5 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 120.941 0.4 . . . . 20.0 110.769 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -85.95 158.17 56.35 Favored Pre-proline 0 CA--C 1.555 1.149 0 CA-C-N 116.125 -0.488 . . . . 20.0 110.969 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -64.9 158.52 50.85 Favored 'Trans proline' 0 CA--C 1.546 1.096 0 C-N-CA 122.376 2.051 . . . . 20.0 112.147 174.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 27.0 t -93.32 126.85 38.66 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 116.31 -0.404 . . . . 20.0 110.382 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -116.36 -18.98 10.34 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 116.571 -0.286 . . . . 20.0 111.525 -176.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 39.4 m -69.48 -23.1 63.59 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 111.6 0.222 . . . . 20.0 111.6 -175.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.2 pp -145.1 163.56 33.93 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 120.767 0.318 . . . . 20.0 110.945 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -83.25 119.47 24.61 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 116.208 -0.451 . . . . 20.0 111.523 -170.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 25.9 pt -144.52 169.44 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-N 115.767 -0.652 . . . . 20.0 110.085 173.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -72.39 137.82 46.79 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 110.09 -0.337 . . . . 20.0 110.09 171.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -112.04 96.22 5.92 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.152 -0.476 . . . . 20.0 110.7 -171.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -65.73 153.35 42.02 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 116.012 -0.54 . . . . 20.0 111.134 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.06 -13.34 62.38 Favored 'General case' 0 CA--C 1.559 1.3 0 CA-C-N 116.024 -0.535 . . . . 20.0 111.966 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -80.37 -24.09 40.01 Favored 'General case' 0 CA--C 1.554 1.105 0 O-C-N 122.387 -0.195 . . . . 20.0 111.114 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.93 0.395 . . . . 20.0 110.201 169.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 25.6 p30 . . . . . 0 CA--C 1.554 1.134 0 CA-C-O 120.711 0.291 . . . . 20.0 111.194 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -160.22 176.2 12.02 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 120.866 0.365 . . . . 20.0 111.108 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -136.61 158.51 44.27 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.811 -0.631 . . . . 20.0 110.294 169.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -98.57 142.32 30.3 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.91 0.386 . . . . 20.0 110.864 -177.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.2 tp -140.84 111.51 6.94 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.059 -0.519 . . . . 20.0 110.411 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 24.1 mt -81.61 124.61 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 120.884 0.373 . . . . 20.0 110.653 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 44.0 t -138.43 126.61 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 115.859 -0.61 . . . . 20.0 110.235 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 40.2 t0 50.09 40.65 22.12 Favored 'General case' 0 CA--C 1.564 1.484 0 CA-C-O 121.056 0.455 . . . . 20.0 111.2 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.7 -24.24 11.02 Favored Glycine 0 CA--C 1.547 2.081 0 CA-C-N 116.228 -0.442 . . . . 20.0 112.948 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -87.98 140.66 29.27 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 116.908 0.354 . . . . 20.0 111.024 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 59.8 t -83.07 117.81 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 116.378 -0.374 . . . . 20.0 110.064 170.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -95.92 157.17 16.02 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.405 -0.361 . . . . 20.0 110.263 172.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -123.38 125.09 44.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 20.0 110.122 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.1 mt -118.71 128.51 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-O 120.929 0.395 . . . . 20.0 111.152 -170.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 7.1 t -65.84 137.37 57.16 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.098 -0.501 . . . . 20.0 110.888 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 34.0 pt -68.58 -40.04 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 111.681 0.252 . . . . 20.0 111.681 -177.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.82 -64.2 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-O 120.739 0.304 . . . . 20.0 111.796 -175.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.1 p -105.18 -4.94 21.17 Favored 'General case' 0 CA--C 1.557 1.243 0 N-CA-C 112.383 0.512 . . . . 20.0 112.383 -169.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 58.13 40.71 24.83 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 122.643 0.377 . . . . 20.0 111.682 -176.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 63.3 mtt85 -83.86 132.65 34.78 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 116.318 -0.401 . . . . 20.0 110.088 169.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 29.6 p -96.47 146.43 24.8 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 121.035 0.445 . . . . 20.0 111.379 -175.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -138.21 138.41 38.51 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.685 -0.688 . . . . 20.0 110.725 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 79.0 t -76.77 -17.75 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 116.139 -0.482 . . . . 20.0 110.895 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 74.8 m -133.3 135.72 45.03 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.813 0.339 . . . . 20.0 111.032 -178.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 19.9 mt -58.96 -33.7 70.95 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 116.271 -0.422 . . . . 20.0 110.977 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 33.0 p -56.91 -42.1 79.32 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 120.619 0.247 . . . . 20.0 110.973 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 14.5 m -65.57 -39.44 91.66 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.507 -0.315 . . . . 20.0 110.813 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.0 tp -63.67 -42.82 98.0 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 116.419 -0.355 . . . . 20.0 110.936 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -62.35 -44.31 96.77 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 110.256 -0.276 . . . . 20.0 110.256 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -57.23 -44.27 83.65 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 115.951 -0.568 . . . . 20.0 110.817 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -69.27 -49.39 56.5 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.27 -0.423 . . . . 20.0 111.318 -175.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -61.99 -20.96 64.44 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 116.846 -0.161 . . . . 20.0 111.386 -172.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -21.77 61.67 Favored 'General case' 0 CA--C 1.56 1.333 0 CA-C-O 120.552 0.215 . . . . 20.0 111.177 174.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 30.7 mt -79.15 -20.87 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-O 120.657 0.265 . . . . 20.0 111.024 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -95.04 -37.52 11.08 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.627 0.251 . . . . 20.0 110.939 177.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 88.7 p -83.29 -33.58 25.94 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.451 -0.34 . . . . 20.0 111.458 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 64.7 m95 50.26 40.15 21.65 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 121.261 0.553 . . . . 20.0 110.464 -169.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -64.67 -30.29 71.31 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.805 -0.634 . . . . 20.0 110.907 177.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -136.53 123.56 21.54 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.269 -0.423 . . . . 20.0 110.636 177.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -91.31 145.39 24.69 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.193 -0.458 . . . . 20.0 110.248 171.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 522' ' ' TYR . . . . . 0.417 ' CE1' ' HB3' ' A' ' 534' ' ' ALA . 86.3 m-85 -123.97 79.93 57.58 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 116.186 -0.461 . . . . 20.0 110.301 176.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.63 135.75 16.49 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.766 2.311 . . . . 20.0 112.318 -178.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 52.7 t -68.57 148.13 50.96 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.891 -0.595 . . . . 20.0 110.654 176.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -79.56 -38.25 34.55 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 116.396 -0.365 . . . . 20.0 110.861 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -85.77 -20.87 28.59 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 116.373 -0.376 . . . . 20.0 111.867 -170.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 14.6 p -142.58 167.98 20.8 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.848 0.356 . . . . 20.0 110.8 175.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.66 8.57 7.7 Favored 'General case' 0 CA--C 1.564 1.507 0 N-CA-C 112.038 0.384 . . . . 20.0 112.038 -172.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -68.86 137.72 54.13 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 120.684 0.278 . . . . 20.0 111.125 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 13.2 t -115.75 138.07 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 116.162 -0.472 . . . . 20.0 110.695 173.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -111.08 152.49 43.74 Favored Pre-proline 0 CA--C 1.541 0.617 0 CA-C-N 116.004 -0.544 . . . . 20.0 110.629 175.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -86.48 -1.57 8.37 Favored 'Trans proline' 0 CA--C 1.559 1.725 0 C-N-CA 123.015 2.476 . . . . 20.0 112.504 172.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 7.4 mp -131.67 143.18 50.1 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.696 0.399 . . . . 20.0 110.168 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . 0.417 ' HB3' ' CE1' ' A' ' 522' ' ' TYR . . . -71.41 -43.66 66.37 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 120.612 0.244 . . . . 20.0 111.165 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -59.48 -35.87 74.94 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 120.628 0.252 . . . . 20.0 110.889 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -64.13 -37.85 88.96 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.543 -0.299 . . . . 20.0 110.888 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -49.5 76.81 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.009 0.433 . . . . 20.0 110.241 174.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 90.8 m -61.9 -56.86 14.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.816 -0.629 . . . . 20.0 111.06 -175.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -59.5 -35.04 73.38 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.705 -0.225 . . . . 20.0 111.119 -177.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -67.79 -46.16 72.75 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-O 120.68 0.276 . . . . 20.0 111.004 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -68.72 -27.38 65.88 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.725 -0.216 . . . . 20.0 111.19 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 21.4 mt -63.96 -32.32 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-O 120.554 0.216 . . . . 20.0 110.523 170.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -76.98 -28.61 55.17 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 116.538 -0.301 . . . . 20.0 111.082 177.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -72.27 -42.02 66.04 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 120.677 0.275 . . . . 20.0 110.899 174.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 28.7 p -85.36 -14.15 47.29 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 116.493 -0.322 . . . . 20.0 111.638 -174.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 74.14 14.89 80.19 Favored Glycine 0 CA--C 1.543 1.828 0 C-N-CA 121.407 -0.425 . . . . 20.0 112.518 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.511 ' HG2' ' HG ' ' A' ' 589' ' ' CYS . 5.3 tp10 -57.62 115.81 3.01 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 120.888 0.375 . . . . 20.0 111.082 -175.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 60.9 mmt-85 -72.55 144.66 47.85 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 116.241 -0.436 . . . . 20.0 110.416 176.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 58.9 ttt85 -134.83 -60.83 0.77 Allowed 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 116.049 -0.523 . . . . 20.0 111.187 -171.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -89.61 108.38 19.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.366 . . . . 20.0 110.664 -176.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -92.54 120.02 32.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 20.0 110.592 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 41.8 t -65.43 146.56 54.73 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 110.053 -0.351 . . . . 20.0 110.053 172.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 94.5 mt -108.42 -18.95 13.62 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.531 -0.304 . . . . 20.0 111.288 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.14 -50.09 17.43 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.666 -0.243 . . . . 20.0 111.305 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 29.2 p -120.08 0.91 10.83 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 112.032 0.382 . . . . 20.0 112.032 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 80.03 3.58 89.49 Favored Glycine 0 CA--C 1.556 2.646 0 C-N-CA 120.9 -0.667 . . . . 20.0 113.616 171.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -73.81 137.85 44.11 Favored 'General case' 0 N--CA 1.488 1.425 0 CA-C-N 117.553 0.677 . . . . 20.0 110.994 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 4.5 m -100.8 140.99 34.3 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 116.232 -0.44 . . . . 20.0 110.974 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -124.27 153.91 41.01 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 120.96 0.409 . . . . 20.0 111.048 -177.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 8.8 tt -85.8 -29.61 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 116.041 -0.527 . . . . 20.0 111.627 -172.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -147.32 168.94 20.51 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 120.975 0.417 . . . . 20.0 111.012 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -67.78 -34.74 77.37 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.044 -0.525 . . . . 20.0 111.164 -172.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -63.48 -44.0 95.69 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 116.424 -0.353 . . . . 20.0 110.894 -175.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -67.6 -47.19 70.42 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.407 -0.36 . . . . 20.0 110.679 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 4.6 ttp -55.27 -47.32 75.65 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 120.713 0.292 . . . . 20.0 110.962 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 25.3 t -61.92 -47.82 83.19 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.394 -0.366 . . . . 20.0 110.808 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 29.9 t -58.25 -42.55 86.63 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.464 -0.335 . . . . 20.0 110.994 177.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -62.63 -51.27 67.92 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.332 -0.395 . . . . 20.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.05 -38.17 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-O 120.572 0.225 . . . . 20.0 110.749 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -68.87 -42.62 76.77 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.723 -0.217 . . . . 20.0 111.265 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 50.0 p -81.2 -33.03 33.24 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 111.892 0.33 . . . . 20.0 111.892 -174.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 70.7 t -95.01 -47.17 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 CA-C-O 120.416 0.151 . . . . 20.0 111.397 -172.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 . . . . . 0 CA--C 1.55 0.969 0 CA-C-N 116.662 -0.245 . . . . 20.0 111.411 -174.08 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 N--CA 1.484 1.252 0 CA-C-O 120.524 0.202 . . . . 20.0 111.499 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -147.28 162.93 37.94 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 120.952 0.406 . . . . 20.0 111.264 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -132.08 139.24 48.44 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.951 -0.568 . . . . 20.0 110.469 177.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.28 128.87 36.53 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 116.335 -0.393 . . . . 20.0 110.849 -175.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -112.65 154.09 44.82 Favored Pre-proline 0 N--CA 1.487 1.377 0 CA-C-N 116.552 -0.295 . . . . 20.0 110.985 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -70.77 156.67 60.27 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.672 2.248 . . . . 20.0 112.859 -174.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 589' ' ' CYS . . . . . 0.511 ' HG ' ' HG2' ' A' ' 547' ' ' GLU . 41.5 t -98.62 128.33 44.88 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 116.006 -0.543 . . . . 20.0 110.411 172.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -128.36 -16.46 4.41 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 116.353 -0.385 . . . . 20.0 111.662 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 96.3 p -62.33 -27.53 69.12 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 111.578 0.214 . . . . 20.0 111.578 -177.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.8 pp -137.72 163.41 31.38 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 120.889 0.376 . . . . 20.0 110.879 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -86.73 109.72 19.41 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 116.135 -0.484 . . . . 20.0 111.247 -171.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 26.7 pt -143.91 168.13 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 115.917 -0.583 . . . . 20.0 110.278 171.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -72.45 142.11 48.61 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.972 -0.381 . . . . 20.0 109.972 170.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -127.4 116.84 21.09 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.081 0.467 . . . . 20.0 110.743 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -67.53 158.28 32.34 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.65 -0.705 . . . . 20.0 111.176 -178.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.42 -9.99 56.02 Favored 'General case' 0 CA--C 1.56 1.333 0 CA-C-N 116.349 -0.387 . . . . 20.0 111.879 -176.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -77.19 -21.69 53.55 Favored 'General case' 0 CA--C 1.554 1.123 0 O-C-N 122.304 -0.248 . . . . 20.0 110.856 174.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 109.846 -0.427 . . . . 20.0 109.846 169.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 3.1 p30 . . . . . 0 CA--C 1.554 1.12 0 CA-C-O 120.836 0.351 . . . . 20.0 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -160.7 177.59 10.31 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.287 -0.415 . . . . 20.0 110.534 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -136.5 158.02 45.41 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.031 -0.531 . . . . 20.0 110.012 169.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -103.52 140.2 37.83 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.923 0.392 . . . . 20.0 110.954 -176.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.3 tp -138.09 115.23 10.95 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.895 -0.593 . . . . 20.0 110.308 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 30.3 mt -85.79 123.06 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-O 120.995 0.426 . . . . 20.0 110.526 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 45.5 t -137.27 129.29 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 115.765 -0.652 . . . . 20.0 110.068 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.92 34.91 17.81 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-O 121.056 0.455 . . . . 20.0 111.344 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.33 3.19 88.48 Favored Glycine 0 CA--C 1.55 2.238 0 CA-C-N 116.307 -0.406 . . . . 20.0 112.881 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -109.59 135.77 50.03 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.519 0.328 . . . . 20.0 110.591 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 97.8 t -80.03 119.22 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-O 120.727 0.299 . . . . 20.0 110.313 174.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -102.57 153.65 19.89 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.287 -0.415 . . . . 20.0 110.213 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -118.68 127.1 53.25 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.118 -0.492 . . . . 20.0 109.968 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 5.3 mt -121.08 128.83 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 120.803 0.335 . . . . 20.0 111.019 -170.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 8.4 t -65.7 137.09 57.07 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.206 -0.452 . . . . 20.0 110.585 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 22.1 pt -68.62 -39.77 80.87 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 CA-C-N 116.676 -0.238 . . . . 20.0 111.559 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 47.7 t -60.92 -63.95 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 111.935 0.346 . . . . 20.0 111.935 -176.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.5 p -105.11 -5.28 20.96 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 112.457 0.539 . . . . 20.0 112.457 -169.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 58.06 35.89 25.56 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 122.572 0.349 . . . . 20.0 111.883 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -76.67 132.78 39.56 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 109.874 -0.417 . . . . 20.0 109.874 169.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 24.6 p -95.28 143.16 26.9 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.034 0.445 . . . . 20.0 111.26 -175.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -135.4 138.69 43.53 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.647 -0.706 . . . . 20.0 110.964 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 53.5 t -77.71 -18.33 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 115.989 -0.551 . . . . 20.0 110.866 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 84.3 m -127.45 161.0 29.75 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 120.976 0.417 . . . . 20.0 110.804 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 20.3 mt -82.42 -34.96 28.05 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.229 -0.441 . . . . 20.0 110.499 172.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 24.4 p -55.01 -45.18 75.08 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 116.551 -0.295 . . . . 20.0 111.241 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 4.9 p -66.6 -35.73 80.89 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 116.54 -0.3 . . . . 20.0 111.078 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 5.0 tp -64.68 -45.66 85.74 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 116.627 -0.261 . . . . 20.0 110.977 177.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -60.44 -49.04 79.15 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 120.627 0.251 . . . . 20.0 110.369 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 511' ' ' ARG . . . . . 0.411 HH21 ' CD ' ' A' ' 535' ' ' GLU . 11.5 ttm180 -50.58 -47.08 58.07 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 116.038 -0.528 . . . . 20.0 110.628 173.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -68.26 -44.17 76.2 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.211 -0.45 . . . . 20.0 111.413 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -58.84 -26.53 64.27 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-O 120.545 0.212 . . . . 20.0 111.266 -173.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -23.94 63.36 Favored 'General case' 0 CA--C 1.561 1.376 0 CA-C-N 116.705 -0.225 . . . . 20.0 111.306 176.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 39.3 mt -75.42 -21.21 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 C-N-CA 122.414 0.286 . . . . 20.0 111.035 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -93.74 -41.87 9.45 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.684 0.278 . . . . 20.0 110.929 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 89.7 p -75.86 -36.29 59.63 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.519 -0.309 . . . . 20.0 111.297 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 58.5 m95 50.21 30.84 4.61 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-O 121.168 0.509 . . . . 20.0 110.37 -169.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -67.18 -31.3 71.61 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.874 -0.603 . . . . 20.0 110.715 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -131.35 121.31 24.45 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.202 -0.454 . . . . 20.0 110.512 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -94.24 149.28 21.38 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.138 -0.483 . . . . 20.0 110.812 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -121.01 80.0 34.02 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 116.034 -0.53 . . . . 20.0 110.326 173.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.32 142.59 30.36 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.745 2.296 . . . . 20.0 112.404 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 33.6 t -74.63 141.36 44.66 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.932 -0.576 . . . . 20.0 110.753 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -75.54 -38.16 59.51 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 116.446 -0.343 . . . . 20.0 110.735 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -85.23 -22.12 28.8 Favored 'General case' 0 CA--C 1.56 1.351 0 CA-C-N 115.904 -0.589 . . . . 20.0 111.959 -169.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 9.4 p -145.02 169.83 17.33 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 120.841 0.353 . . . . 20.0 110.895 175.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.75 6.65 10.32 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 112.166 0.432 . . . . 20.0 112.166 -170.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -68.94 151.56 46.39 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 120.816 0.341 . . . . 20.0 111.038 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 17.2 t -129.94 140.14 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 CA-C-N 116.137 -0.483 . . . . 20.0 110.829 175.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -114.74 150.85 44.71 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 116.041 -0.527 . . . . 20.0 110.837 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -85.1 -4.27 9.61 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 C-N-CA 122.952 2.435 . . . . 20.0 112.799 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.4 mp -132.52 144.09 50.19 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.566 0.347 . . . . 20.0 110.39 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.44 91.14 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 116.341 -0.39 . . . . 20.0 111.09 175.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . 0.411 ' CD ' HH21 ' A' ' 511' ' ' ARG . 22.1 mt-10 -63.48 -48.53 77.29 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 120.777 0.322 . . . . 20.0 110.916 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -61.73 -34.7 76.27 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.243 -0.435 . . . . 20.0 110.501 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -63.02 1.4 Allowed 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.287 -0.415 . . . . 20.0 110.063 169.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 63.6 m -50.24 -50.33 50.25 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.045 -0.525 . . . . 20.0 111.123 -174.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -62.47 -36.75 83.45 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.566 -0.288 . . . . 20.0 111.075 -177.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -70.56 -41.1 72.88 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 120.554 0.216 . . . . 20.0 111.122 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.97 -41.38 87.4 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 120.722 0.296 . . . . 20.0 110.413 175.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 61.3 mt -62.94 -31.51 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 116.471 -0.331 . . . . 20.0 110.84 176.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -68.8 -26.41 65.18 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.636 -0.256 . . . . 20.0 110.665 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -82.13 -38.35 24.88 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 116.844 -0.162 . . . . 20.0 111.185 176.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 62.6 p -74.48 -36.22 63.27 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 120.672 0.273 . . . . 20.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 85.77 16.1 64.25 Favored Glycine 0 CA--C 1.541 1.692 0 C-N-CA 121.567 -0.349 . . . . 20.0 112.593 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.4 120.7 8.66 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 120.866 0.365 . . . . 20.0 111.449 -175.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -82.34 79.98 8.66 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.032 0.444 . . . . 20.0 110.432 174.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -86.73 -28.46 23.05 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 115.975 -0.557 . . . . 20.0 111.535 -174.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -99.01 110.14 22.79 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.156 0.182 . . . . 20.0 110.732 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -107.27 130.41 54.76 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.885 0.374 . . . . 20.0 110.968 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 49.2 t -69.62 147.79 50.21 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.033 -0.53 . . . . 20.0 110.136 170.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 80.9 mt -104.89 -17.01 14.7 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 116.734 -0.212 . . . . 20.0 111.436 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.23 -49.69 18.56 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 116.74 -0.209 . . . . 20.0 111.066 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 32.0 p -120.04 -2.36 10.25 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 111.952 0.353 . . . . 20.0 111.952 -176.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 81.25 -4.3 72.72 Favored Glycine 0 CA--C 1.555 2.581 0 C-N-CA 121.165 -0.541 . . . . 20.0 113.388 173.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -71.38 140.1 50.03 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 117.316 0.558 . . . . 20.0 110.833 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 50.4 m -111.91 154.6 24.96 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 121.009 0.433 . . . . 20.0 111.617 -175.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -135.67 166.46 23.2 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.717 -0.674 . . . . 20.0 110.717 -176.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 12.5 tt -88.54 -23.19 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 CA-C-N 116.154 -0.475 . . . . 20.0 111.867 -171.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -151.31 170.18 20.14 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-O 121.022 0.439 . . . . 20.0 111.288 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -66.79 -34.31 77.55 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.896 -0.593 . . . . 20.0 111.353 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 28.7 mp0 -64.25 -48.64 75.02 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 116.678 -0.237 . . . . 20.0 110.95 -175.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -64.17 -42.77 96.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.632 -0.258 . . . . 20.0 110.729 176.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 37.8 ttp -58.79 -50.78 72.69 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.447 -0.342 . . . . 20.0 111.053 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 24.8 t -61.46 -43.79 98.25 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.609 0.242 . . . . 20.0 110.789 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 22.7 t -58.76 -42.51 89.07 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.45 -0.341 . . . . 20.0 110.906 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -63.56 -47.55 81.1 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 116.499 -0.319 . . . . 20.0 111.144 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.06 -41.38 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-O 120.635 0.255 . . . . 20.0 110.504 -178.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -65.66 -44.99 84.65 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.564 -0.289 . . . . 20.0 110.914 178.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 41.6 m -74.65 -37.17 62.81 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 111.834 0.309 . . . . 20.0 111.834 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 76.9 t -97.0 -46.85 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 CA-C-O 120.548 0.213 . . . . 20.0 111.497 -171.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 . . . . . 0 CA--C 1.549 0.93 0 CA-C-N 116.558 -0.292 . . . . 20.0 111.509 -174.111 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 120.596 0.236 . . . . 20.0 111.223 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -147.04 162.47 38.73 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 120.994 0.426 . . . . 20.0 111.36 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -136.32 139.3 42.5 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.781 -0.645 . . . . 20.0 110.336 173.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -99.04 120.29 39.21 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.25 -0.432 . . . . 20.0 110.376 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -94.52 157.6 36.93 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-N 116.266 -0.425 . . . . 20.0 110.847 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.3 143.09 99.85 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.642 2.228 . . . . 20.0 112.428 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 47.0 t -87.42 120.4 28.67 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.175 -0.466 . . . . 20.0 110.402 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -129.82 -13.56 4.14 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 116.362 -0.381 . . . . 20.0 111.981 -173.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 57.1 p -69.49 -22.98 63.57 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 111.568 0.21 . . . . 20.0 111.568 -176.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.5 pp -144.69 172.21 13.31 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-O 120.928 0.394 . . . . 20.0 111.021 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -89.43 107.26 18.97 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 116.143 -0.48 . . . . 20.0 111.621 -170.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 29.6 pt -146.31 169.67 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 CA-C-N 115.801 -0.636 . . . . 20.0 109.753 169.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -75.38 143.53 42.75 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 110.072 -0.344 . . . . 20.0 110.072 173.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -125.71 115.58 20.31 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.013 0.435 . . . . 20.0 110.622 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -59.25 151.55 22.9 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.668 -0.696 . . . . 20.0 110.985 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.7 -10.08 42.96 Favored 'General case' 0 CA--C 1.558 1.26 0 N-CA-C 112.029 0.381 . . . . 20.0 112.029 -175.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -80.12 -15.0 58.05 Favored 'General case' 0 CA--C 1.557 1.238 0 O-C-N 122.365 -0.21 . . . . 20.0 111.083 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 120.909 0.385 . . . . 20.0 110.2 169.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 47.7 p-10 . . . . . 0 CA--C 1.551 0.995 0 CA-C-O 120.69 0.281 . . . . 20.0 111.145 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -160.98 176.9 10.9 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.999 0.428 . . . . 20.0 111.276 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -134.49 153.82 51.74 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.502 -0.772 . . . . 20.0 109.659 169.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -102.52 130.74 49.44 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.072 0.463 . . . . 20.0 110.909 -173.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 12.7 tp -131.16 117.28 18.83 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.695 -0.684 . . . . 20.0 110.362 -175.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 21.1 mt -86.96 122.68 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 120.924 0.392 . . . . 20.0 110.514 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 45.9 t -134.57 125.38 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 115.93 -0.577 . . . . 20.0 110.201 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 37.6 t0 50.55 40.12 22.77 Favored 'General case' 0 CA--C 1.564 1.495 0 CA-C-O 121.041 0.448 . . . . 20.0 111.08 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 86.96 -21.51 19.38 Favored Glycine 0 CA--C 1.549 2.213 0 CA-C-N 116.188 -0.46 . . . . 20.0 112.938 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 56.0 mtt85 -88.96 136.44 33.01 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.895 0.347 . . . . 20.0 111.032 -177.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 95.9 t -80.06 122.64 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 116.474 -0.33 . . . . 20.0 110.17 171.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -105.36 153.03 22.21 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.266 -0.425 . . . . 20.0 110.275 173.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -117.97 118.89 33.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 20.0 110.064 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.7 mt -112.08 124.35 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 116.453 -0.34 . . . . 20.0 110.837 -171.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.4 t -63.48 137.87 58.3 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.268 -0.424 . . . . 20.0 110.566 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 31.0 pt -69.81 -39.21 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 116.636 -0.256 . . . . 20.0 111.613 -176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.03 -64.68 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 111.775 0.287 . . . . 20.0 111.775 -176.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 26.7 p -105.07 -4.77 21.54 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 112.383 0.512 . . . . 20.0 112.383 -169.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt 57.89 41.3 24.88 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 122.556 0.343 . . . . 20.0 111.785 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -82.3 131.61 35.23 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 116.354 -0.385 . . . . 20.0 110.003 169.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 39.6 p -93.74 131.75 38.79 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.501 -0.318 . . . . 20.0 111.111 -176.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -123.13 140.59 52.86 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.024 -0.534 . . . . 20.0 111.001 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 74.2 t -79.01 -19.53 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-N 116.068 -0.514 . . . . 20.0 110.946 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 71.3 m -132.75 136.82 46.59 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.731 0.3 . . . . 20.0 111.0 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 18.1 mt -59.02 -36.33 74.78 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.294 -0.412 . . . . 20.0 110.729 176.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 18.2 p -51.49 -41.9 61.27 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 120.584 0.23 . . . . 20.0 111.016 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 17.1 m -67.47 -41.81 83.99 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.488 -0.323 . . . . 20.0 110.973 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.58 -50.02 74.29 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.484 -0.325 . . . . 20.0 111.014 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -62.73 -45.47 92.59 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 120.752 0.31 . . . . 20.0 110.536 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -58.95 -40.93 86.19 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.865 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -69.24 -44.69 71.48 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 116.255 -0.429 . . . . 20.0 111.283 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.36 -23.6 64.41 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 111.44 0.163 . . . . 20.0 111.44 -173.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -22.06 61.58 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-O 120.499 0.19 . . . . 20.0 111.107 175.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 36.6 mt -77.98 -21.1 13.63 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 C-N-CA 122.411 0.284 . . . . 20.0 111.037 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -95.07 -41.49 9.1 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.657 0.265 . . . . 20.0 110.904 177.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 91.6 p -81.84 -33.29 30.75 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.406 -0.361 . . . . 20.0 111.389 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 52.7 m95 51.13 37.96 19.59 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 121.255 0.55 . . . . 20.0 110.666 -170.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -64.41 -32.2 73.73 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.846 -0.616 . . . . 20.0 111.031 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -131.84 122.39 25.65 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.37 -0.377 . . . . 20.0 110.492 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -92.78 144.27 25.46 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.227 -0.442 . . . . 20.0 110.584 175.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 522' ' ' TYR . . . . . 0.412 ' CE1' ' HB2' ' A' ' 534' ' ' ALA . 90.2 m-85 -122.42 80.53 46.11 Favored Pre-proline 0 CA--C 1.545 0.755 0 CA-C-N 116.229 -0.441 . . . . 20.0 110.412 176.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.79 143.98 27.23 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.772 2.315 . . . . 20.0 112.588 -176.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 51.0 t -79.63 143.4 34.72 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.953 -0.567 . . . . 20.0 110.65 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -77.64 -37.23 50.48 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-O 120.849 0.357 . . . . 20.0 110.839 176.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -83.16 -24.06 32.67 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 115.893 -0.594 . . . . 20.0 111.795 -169.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.1 p -145.02 172.91 12.39 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-O 120.824 0.345 . . . . 20.0 110.767 175.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -82.87 9.99 8.75 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 112.22 0.452 . . . . 20.0 112.22 -169.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -70.31 149.9 46.9 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 120.87 0.366 . . . . 20.0 111.328 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 16.1 t -128.62 134.79 63.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 115.7 -0.682 . . . . 20.0 110.298 169.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -113.52 153.07 45.83 Favored Pre-proline 0 CA--C 1.543 0.711 0 CA-C-N 116.233 -0.439 . . . . 20.0 110.686 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -83.4 -5.07 11.0 Favored 'Trans proline' 0 CA--C 1.552 1.387 0 C-N-CA 122.934 2.423 . . . . 20.0 112.926 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.5 mp -131.51 142.56 49.98 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.549 0.34 . . . . 20.0 110.289 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . 0.412 ' HB2' ' CE1' ' A' ' 522' ' ' TYR . . . -64.76 -43.54 92.99 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.623 0.249 . . . . 20.0 111.037 178.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -62.78 -38.21 89.72 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.548 -0.296 . . . . 20.0 110.92 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -61.74 -39.41 91.5 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.799 -0.182 . . . . 20.0 110.777 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -62.03 -52.09 65.35 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.586 -0.279 . . . . 20.0 110.439 173.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 37.3 m -55.63 -52.09 64.99 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.603 -0.271 . . . . 20.0 111.248 -177.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -61.74 -39.04 90.18 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-O 120.451 0.167 . . . . 20.0 111.107 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -62.88 -44.99 94.64 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 120.768 0.318 . . . . 20.0 110.698 176.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -68.21 -26.3 65.64 Favored 'General case' 0 CA--C 1.554 1.13 0 O-C-N 122.293 -0.255 . . . . 20.0 111.007 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 3.6 mt -64.97 -30.56 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-O 120.543 0.211 . . . . 20.0 110.655 171.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -71.63 -28.08 63.54 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 116.717 -0.22 . . . . 20.0 110.864 174.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -77.0 -41.82 41.24 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-O 120.5 0.191 . . . . 20.0 110.982 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 58.4 p -79.06 -19.78 50.48 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 116.805 -0.179 . . . . 20.0 111.345 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 78.56 17.15 78.16 Favored Glycine 0 CA--C 1.544 1.893 0 C-N-CA 121.506 -0.378 . . . . 20.0 112.664 177.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -60.37 109.43 1.0 Allowed 'General case' 0 CA--C 1.553 1.091 0 CA-C-O 120.902 0.382 . . . . 20.0 111.133 -176.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -91.86 90.51 7.5 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.074 0.464 . . . . 20.0 110.234 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 11.6 mtp85 -83.91 -31.87 25.44 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 115.561 -0.745 . . . . 20.0 111.888 -169.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -91.79 98.97 11.94 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.515 -0.311 . . . . 20.0 110.858 -169.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -90.21 123.23 33.85 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 120.872 0.368 . . . . 20.0 110.948 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 34.0 t -79.42 100.07 7.48 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.157 -0.474 . . . . 20.0 110.585 176.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.64 -14.82 34.29 Favored 'General case' 0 CA--C 1.558 1.272 0 N-CA-C 111.995 0.369 . . . . 20.0 111.995 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.04 -50.06 17.73 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-O 120.438 0.161 . . . . 20.0 111.297 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 28.7 p -120.08 -5.24 10.02 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 111.87 0.322 . . . . 20.0 111.87 -175.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 91.69 -6.85 79.96 Favored Glycine 0 CA--C 1.551 2.336 0 C-N-CA 121.543 -0.361 . . . . 20.0 113.339 174.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -76.32 134.69 39.66 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 117.303 0.551 . . . . 20.0 111.032 -175.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 61.6 m -105.51 148.62 27.02 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 116.478 -0.328 . . . . 20.0 110.994 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -128.61 158.58 38.1 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.323 -0.399 . . . . 20.0 111.109 -177.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.9 tt -77.07 -24.87 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 CA-C-N 116.195 -0.457 . . . . 20.0 111.696 -173.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 48.4 p30 -152.1 169.97 21.09 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 121.027 0.442 . . . . 20.0 111.114 -175.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -64.67 -36.87 85.68 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.871 -0.604 . . . . 20.0 111.165 -177.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -59.66 -47.04 87.2 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.545 -0.298 . . . . 20.0 111.123 -174.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -67.44 -45.21 76.69 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.652 -0.249 . . . . 20.0 110.806 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 14.5 ttp -57.32 -48.43 78.97 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 120.759 0.314 . . . . 20.0 111.008 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 35.0 t -63.9 -48.44 76.61 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.409 -0.36 . . . . 20.0 110.981 -177.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 25.9 t -57.29 -41.53 79.97 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.508 -0.315 . . . . 20.0 110.813 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -64.79 -49.19 71.67 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.364 -0.38 . . . . 20.0 111.304 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 83.3 mt -63.23 -39.99 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-O 120.609 0.242 . . . . 20.0 110.653 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -68.19 -40.22 82.27 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.649 -0.25 . . . . 20.0 111.198 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 36.6 m -82.18 -34.85 28.85 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 111.75 0.278 . . . . 20.0 111.75 -173.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 74.5 t -97.98 -45.23 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 CA-C-N 116.817 -0.174 . . . . 20.0 111.377 -171.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 . . . . . 0 CA--C 1.552 1.028 0 CA-C-N 116.707 -0.224 . . . . 20.0 111.257 -175.139 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 N--CA 1.484 1.252 0 N-CA-C 111.617 0.228 . . . . 20.0 111.617 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -141.56 153.22 44.7 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.037 0.446 . . . . 20.0 111.264 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -126.15 128.4 47.23 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.726 -0.67 . . . . 20.0 110.044 173.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -101.43 109.49 21.33 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.909 0.385 . . . . 20.0 110.643 -177.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -88.07 151.84 49.85 Favored Pre-proline 0 CA--C 1.553 1.06 0 CA-C-N 116.02 -0.536 . . . . 20.0 110.812 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -61.3 162.28 20.71 Favored 'Trans proline' 0 CA--C 1.547 1.143 0 C-N-CA 122.579 2.186 . . . . 20.0 112.38 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 35.5 t -92.63 127.74 38.23 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.206 -0.452 . . . . 20.0 110.332 173.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -121.25 -18.27 7.43 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 116.591 -0.277 . . . . 20.0 111.575 -175.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 20.7 p -70.45 -19.99 62.92 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 116.667 -0.242 . . . . 20.0 111.587 -177.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.1 pp -142.12 162.5 35.32 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 120.749 0.309 . . . . 20.0 110.811 176.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -82.68 119.49 24.36 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 121.021 0.438 . . . . 20.0 111.523 -170.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 22.3 pt -143.35 168.61 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 CA-C-N 115.743 -0.662 . . . . 20.0 110.222 173.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -69.93 137.25 51.39 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 109.98 -0.378 . . . . 20.0 109.98 170.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -110.63 93.43 4.48 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.593 -172.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -57.95 146.55 31.97 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.957 -0.565 . . . . 20.0 110.857 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.71 -14.88 63.07 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 116.276 -0.42 . . . . 20.0 111.935 -175.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -80.06 -22.36 42.39 Favored 'General case' 0 CA--C 1.552 1.057 0 O-C-N 122.492 -0.13 . . . . 20.0 111.053 177.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.832 0.349 . . . . 20.0 110.324 169.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 37.3 p30 . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 120.685 0.279 . . . . 20.0 111.36 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -161.31 177.24 10.35 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.981 0.419 . . . . 20.0 111.284 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -135.65 157.24 47.37 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.585 -0.734 . . . . 20.0 109.64 169.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -102.3 134.49 45.5 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.992 0.425 . . . . 20.0 110.965 -174.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 13.2 tp -135.37 118.0 15.97 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.838 -0.619 . . . . 20.0 110.238 -177.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 23.9 mt -87.63 123.46 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-O 120.941 0.4 . . . . 20.0 110.583 -178.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 38.2 t -137.8 129.08 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.787 -0.642 . . . . 20.0 110.116 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.45 37.22 22.18 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-O 120.874 0.368 . . . . 20.0 111.177 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.33 2.42 87.5 Favored Glycine 0 CA--C 1.55 2.248 0 C-N-CA 121.518 -0.372 . . . . 20.0 112.908 177.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -111.61 137.38 49.55 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.476 0.31 . . . . 20.0 110.656 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 89.7 t -80.21 119.15 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 116.56 -0.291 . . . . 20.0 110.284 174.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -101.42 150.97 22.49 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.204 -0.453 . . . . 20.0 110.305 172.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -116.38 122.34 44.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 20.0 109.985 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.8 mt -116.3 126.79 73.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-O 120.833 0.349 . . . . 20.0 110.965 -171.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 8.5 t -63.21 136.12 57.53 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 116.204 -0.453 . . . . 20.0 110.614 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 21.1 pt -68.42 -40.31 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 CA-C-N 116.58 -0.282 . . . . 20.0 111.598 -176.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 47.4 t -60.93 -64.71 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 111.955 0.354 . . . . 20.0 111.955 -176.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 27.7 p -105.19 -4.32 21.9 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 112.487 0.551 . . . . 20.0 112.487 -169.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 59.7 35.54 22.3 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 122.619 0.367 . . . . 20.0 111.954 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -76.84 129.85 36.81 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 109.873 -0.418 . . . . 20.0 109.873 169.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 36.4 p -93.28 145.96 24.06 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.955 0.407 . . . . 20.0 111.233 -175.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -138.48 141.81 39.43 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.867 -0.606 . . . . 20.0 111.016 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 55.0 t -79.0 -19.69 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 116.04 -0.527 . . . . 20.0 110.825 175.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 86.2 m -125.64 164.32 20.84 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 120.972 0.415 . . . . 20.0 110.865 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 20.7 mt -86.95 -33.56 19.63 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.103 -0.499 . . . . 20.0 110.657 173.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 24.8 p -58.33 -43.55 88.27 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 116.676 -0.238 . . . . 20.0 111.236 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 5.7 p -66.22 -37.67 86.09 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 116.529 -0.305 . . . . 20.0 111.03 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 3.3 tp -64.35 -47.37 79.57 Favored 'General case' 0 CA--C 1.552 1.058 0 CA-C-N 116.618 -0.265 . . . . 20.0 111.06 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 7.4 mmm-85 -59.79 -46.98 87.51 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 120.872 0.368 . . . . 20.0 110.312 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -53.39 -48.62 68.48 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.878 -0.601 . . . . 20.0 110.746 174.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -63.99 -42.82 97.08 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-N 116.282 -0.417 . . . . 20.0 111.279 -176.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.25 -24.52 64.95 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 111.545 0.202 . . . . 20.0 111.545 -175.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -20.11 62.87 Favored 'General case' 0 CA--C 1.561 1.369 0 CA-C-O 120.515 0.198 . . . . 20.0 111.151 176.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 33.5 mt -79.49 -20.01 12.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 CA-C-O 120.638 0.256 . . . . 20.0 110.905 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -94.46 -40.8 9.71 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.62 0.248 . . . . 20.0 110.932 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 87.3 p -83.11 -32.66 26.6 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.423 -0.353 . . . . 20.0 111.363 -176.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 52.1 m95 49.22 37.5 11.31 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 121.169 0.509 . . . . 20.0 110.685 -171.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.21 -30.94 71.5 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.77 -0.65 . . . . 20.0 111.194 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -128.43 131.31 48.43 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.389 -0.369 . . . . 20.0 110.463 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -95.01 142.84 27.03 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.172 -0.467 . . . . 20.0 110.531 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 522' ' ' TYR . . . . . 0.402 ' CE1' ' HB3' ' A' ' 534' ' ' ALA . 92.2 m-85 -123.07 79.73 51.43 Favored Pre-proline 0 CA--C 1.543 0.706 0 CA-C-N 116.22 -0.446 . . . . 20.0 110.265 172.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.94 142.2 17.29 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.808 2.339 . . . . 20.0 112.586 -177.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 41.0 t -77.51 145.35 37.04 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.905 -0.589 . . . . 20.0 110.37 173.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -85.08 -29.31 25.0 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 120.699 0.285 . . . . 20.0 111.114 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -83.2 -27.81 29.73 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 116.349 -0.387 . . . . 20.0 111.618 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.2 p -138.82 162.55 34.48 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 120.728 0.299 . . . . 20.0 110.633 175.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -80.36 28.85 0.3 Allowed 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 116.569 -0.287 . . . . 20.0 111.701 -173.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -87.58 146.71 25.64 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.42 0.288 . . . . 20.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 10.1 t -123.58 136.54 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 CA-C-N 116.178 -0.464 . . . . 20.0 110.725 173.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -109.37 150.1 40.66 Favored Pre-proline 0 CA--C 1.54 0.593 0 CA-C-N 115.938 -0.574 . . . . 20.0 110.506 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -82.26 -5.39 11.93 Favored 'Trans proline' 0 CA--C 1.549 1.249 0 C-N-CA 122.815 2.344 . . . . 20.0 112.506 176.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.9 mp -132.78 144.47 50.27 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.716 0.406 . . . . 20.0 110.425 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . 0.402 ' HB3' ' CE1' ' A' ' 522' ' ' TYR . . . -68.76 -44.03 74.57 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 116.479 -0.328 . . . . 20.0 111.371 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -62.47 -39.22 92.75 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.713 -0.221 . . . . 20.0 110.803 -177.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -62.65 -39.07 92.72 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.641 -0.254 . . . . 20.0 110.609 177.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -54.3 47.71 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.337 -0.392 . . . . 20.0 110.217 172.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 48.1 m -58.54 -53.97 52.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.782 -0.644 . . . . 20.0 111.115 -173.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -63.06 -34.24 77.15 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.739 -0.209 . . . . 20.0 110.889 -176.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -67.23 -46.02 75.05 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-O 120.718 0.294 . . . . 20.0 110.986 174.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.83 -30.82 70.31 Favored 'General case' 0 CA--C 1.55 0.954 0 O-C-N 122.299 -0.25 . . . . 20.0 110.999 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 22.5 mt -62.27 -29.02 45.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-O 120.868 0.366 . . . . 20.0 110.558 171.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.66 -27.55 61.31 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 116.263 -0.426 . . . . 20.0 110.957 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -78.01 -41.65 35.14 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-O 120.525 0.202 . . . . 20.0 111.015 176.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 80.4 p -77.82 -18.99 55.73 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 116.798 -0.183 . . . . 20.0 111.351 -177.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 76.75 17.06 80.23 Favored Glycine 0 CA--C 1.542 1.726 0 C-N-CA 121.549 -0.358 . . . . 20.0 112.534 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.36 98.89 0.37 Allowed 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 120.959 0.409 . . . . 20.0 111.173 -174.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 75.6 mtt-85 -85.64 94.12 9.0 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 121.007 0.432 . . . . 20.0 110.3 176.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -90.88 -27.05 19.04 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 115.627 -0.715 . . . . 20.0 111.929 -169.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -91.74 89.81 7.26 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.882 0.372 . . . . 20.0 110.706 -173.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -80.66 128.8 34.03 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.263 -0.426 . . . . 20.0 110.853 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 24.6 t -86.43 107.64 18.14 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.442 -0.344 . . . . 20.0 110.421 174.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 26.6 mt -68.2 -17.13 64.24 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 116.727 -0.215 . . . . 20.0 111.563 -177.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.15 -50.15 17.21 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-O 120.479 0.181 . . . . 20.0 111.369 -175.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 26.3 p -118.89 -12.89 9.53 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 111.77 0.285 . . . . 20.0 111.77 -175.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 102.62 -13.36 56.61 Favored Glycine 0 CA--C 1.549 2.167 0 C-N-CA 121.642 -0.313 . . . . 20.0 113.08 174.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -72.26 130.22 40.28 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 117.134 0.467 . . . . 20.0 111.106 -173.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 53.3 m -101.77 143.02 32.21 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 120.805 0.336 . . . . 20.0 110.839 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -122.37 157.27 32.2 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.217 -0.447 . . . . 20.0 111.045 -176.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.2 tt -82.4 -23.22 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 116.196 -0.456 . . . . 20.0 111.765 -170.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 34.2 p30 -152.85 171.38 18.36 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 120.982 0.42 . . . . 20.0 111.15 -176.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -62.02 -41.57 98.22 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.891 -0.595 . . . . 20.0 111.219 -178.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.8 mp0 -56.97 -44.54 82.74 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.586 -0.279 . . . . 20.0 111.031 -173.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -69.42 -46.66 66.29 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.563 -0.29 . . . . 20.0 110.932 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 29.2 ttp -58.56 -52.01 67.47 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 120.667 0.27 . . . . 20.0 111.193 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 12.0 t -63.6 -42.68 98.22 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.6 -0.273 . . . . 20.0 110.775 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 28.6 t -58.92 -42.69 90.28 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.813 0.34 . . . . 20.0 110.794 175.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 43.6 t60 -66.49 -46.64 75.64 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 116.365 -0.38 . . . . 20.0 111.193 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 78.3 mt -63.43 -40.17 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-O 120.474 0.178 . . . . 20.0 110.664 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -67.56 -41.24 84.53 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.808 -0.178 . . . . 20.0 111.316 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 29.6 p -83.72 -32.02 25.73 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 111.752 0.278 . . . . 20.0 111.752 -173.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 76.0 t -99.07 -47.99 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 CA-C-O 120.511 0.196 . . . . 20.0 111.387 -173.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 . . . . . 0 CA--C 1.553 1.06 0 CA-C-N 116.562 -0.29 . . . . 20.0 111.52 -173.422 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 37.5 mt . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.555 0.217 . . . . 20.0 111.204 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -148.38 157.82 43.72 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.758 0.313 . . . . 20.0 110.795 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -136.87 129.13 29.78 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.2 -0.455 . . . . 20.0 110.452 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.1 tt -94.2 110.17 21.92 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.312 -0.404 . . . . 20.0 110.565 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -84.8 153.87 61.02 Favored Pre-proline 0 CA--C 1.551 1.009 0 CA-C-N 116.253 -0.431 . . . . 20.0 110.741 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -64.72 156.04 63.72 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 122.385 2.057 . . . . 20.0 112.366 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 49.0 t -89.77 128.49 36.14 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.15 -0.477 . . . . 20.0 110.481 174.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -125.17 -20.08 4.97 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 116.41 -0.359 . . . . 20.0 111.651 -175.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 30.1 p -67.95 -25.79 65.63 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 111.79 0.293 . . . . 20.0 111.79 -175.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.8 pp -139.78 162.38 35.27 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 120.863 0.363 . . . . 20.0 111.026 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -87.02 108.37 18.83 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 116.083 -0.508 . . . . 20.0 111.559 -170.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 33.9 pt -143.7 169.72 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-N 115.9 -0.591 . . . . 20.0 109.984 170.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -75.32 145.2 41.96 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.822 -0.436 . . . . 20.0 109.822 171.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -129.32 120.59 25.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.057 0.456 . . . . 20.0 110.85 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -59.05 145.83 40.64 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.631 -0.713 . . . . 20.0 110.648 177.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -68.06 -9.95 50.0 Favored 'General case' 0 CA--C 1.555 1.144 0 N-CA-C 111.956 0.354 . . . . 20.0 111.956 -171.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -77.56 -15.62 59.14 Favored 'General case' 0 CA--C 1.556 1.206 0 O-C-N 122.329 -0.232 . . . . 20.0 110.909 174.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.4 mm? . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 120.949 0.404 . . . . 20.0 110.104 169.482 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 . . . . . 0 CA--C 1.551 1.018 0 CA-C-O 120.692 0.282 . . . . 20.0 111.37 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -160.93 176.34 11.53 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 120.891 0.377 . . . . 20.0 111.165 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -136.51 158.15 45.1 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.82 -0.627 . . . . 20.0 110.09 169.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -99.04 136.44 39.0 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.881 0.372 . . . . 20.0 110.831 -177.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.3 tp -134.01 114.6 13.39 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.018 -0.537 . . . . 20.0 110.313 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 29.6 mt -85.76 123.52 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 120.912 0.387 . . . . 20.0 110.541 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 50.0 t -135.71 124.6 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 115.858 -0.61 . . . . 20.0 110.162 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 37.1 t0 50.71 40.48 24.28 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-O 121.076 0.465 . . . . 20.0 111.041 -178.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.15 -23.28 11.63 Favored Glycine 0 CA--C 1.549 2.192 0 CA-C-N 116.162 -0.472 . . . . 20.0 112.94 176.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -87.04 137.35 32.42 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 116.904 0.352 . . . . 20.0 111.04 -177.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 92.5 t -80.58 122.83 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 116.503 -0.317 . . . . 20.0 110.149 171.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -105.03 153.99 20.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.261 -0.427 . . . . 20.0 110.176 172.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -118.0 123.19 45.11 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.266 -0.424 . . . . 20.0 110.119 178.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.3 mt -115.5 129.17 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-O 120.832 0.349 . . . . 20.0 111.14 -170.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 7.4 t -65.82 136.03 55.64 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.168 -0.469 . . . . 20.0 110.611 177.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 29.3 pt -68.53 -39.82 81.13 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 CA-C-N 116.626 -0.261 . . . . 20.0 111.58 -176.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 43.3 t -61.1 -65.02 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 N-CA-C 112.125 0.417 . . . . 20.0 112.125 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 29.7 p -105.05 -5.87 20.49 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 112.614 0.598 . . . . 20.0 112.614 -169.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 60.45 37.7 19.69 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 111.964 0.357 . . . . 20.0 111.964 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -78.44 131.6 36.97 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 109.845 -0.428 . . . . 20.0 109.845 169.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 24.6 p -94.28 143.23 26.57 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 120.916 0.389 . . . . 20.0 111.142 -176.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -135.01 142.82 46.51 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.85 -0.614 . . . . 20.0 110.968 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 72.3 t -80.92 -19.32 11.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-N 116.0 -0.545 . . . . 20.0 110.718 175.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 75.3 m -133.56 134.15 42.99 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.834 0.35 . . . . 20.0 111.065 -178.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 17.2 mt -57.67 -34.88 69.86 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 116.328 -0.396 . . . . 20.0 111.149 177.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 27.8 p -56.97 -38.88 73.62 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-O 120.513 0.197 . . . . 20.0 111.076 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 13.6 m -66.63 -42.89 86.04 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.559 -0.291 . . . . 20.0 110.968 175.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 2.1 tp -61.64 -47.44 85.41 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 116.324 -0.398 . . . . 20.0 110.902 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 51.5 mmm-85 -64.39 -44.17 92.15 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 120.611 0.243 . . . . 20.0 110.617 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -52.51 -45.59 66.3 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 116.126 -0.488 . . . . 20.0 110.674 171.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -70.63 -42.52 70.8 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-N 116.116 -0.493 . . . . 20.0 111.347 -176.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -59.56 -25.28 64.43 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 111.574 0.213 . . . . 20.0 111.574 -174.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -23.35 60.08 Favored 'General case' 0 CA--C 1.565 1.556 0 CA-C-N 116.782 -0.19 . . . . 20.0 111.129 175.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 34.5 mt -76.24 -23.37 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 122.555 0.342 . . . . 20.0 111.061 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -93.12 -43.9 8.63 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 120.735 0.303 . . . . 20.0 111.026 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 82.3 p -78.83 -31.99 46.03 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.311 -0.404 . . . . 20.0 111.401 -174.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 55.3 m95 50.06 34.17 7.91 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 121.301 0.572 . . . . 20.0 110.588 -169.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -59.86 -34.55 73.28 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.698 -0.683 . . . . 20.0 110.917 176.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -136.5 122.85 20.64 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.002 -0.545 . . . . 20.0 110.354 -175.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -94.7 144.02 25.96 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.311 -0.404 . . . . 20.0 110.583 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -122.51 79.85 46.77 Favored Pre-proline 0 CA--C 1.548 0.898 0 CA-C-N 116.026 -0.534 . . . . 20.0 110.116 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.07 146.22 22.68 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.735 2.29 . . . . 20.0 112.879 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 41.1 t -78.63 142.41 37.24 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 115.746 -0.661 . . . . 20.0 110.617 175.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -80.97 -31.12 34.97 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 120.617 0.246 . . . . 20.0 111.159 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -84.27 -25.82 29.08 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-N 116.43 -0.35 . . . . 20.0 111.826 -173.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 13.7 p -144.22 175.13 10.3 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 120.708 0.289 . . . . 20.0 111.016 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -82.25 6.13 17.75 Favored 'General case' 0 CA--C 1.564 1.482 0 N-CA-C 112.16 0.43 . . . . 20.0 112.16 -170.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -65.2 141.65 58.58 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.741 0.305 . . . . 20.0 111.258 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 19.2 t -123.59 129.37 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 115.84 -0.618 . . . . 20.0 109.86 169.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -104.87 149.43 37.53 Favored Pre-proline 0 CA--C 1.541 0.633 0 CA-C-N 116.271 -0.422 . . . . 20.0 110.485 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -81.95 -7.0 12.3 Favored 'Trans proline' 0 CA--C 1.554 1.5 0 C-N-CA 122.897 2.398 . . . . 20.0 112.737 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 9.4 mp -131.6 146.92 52.45 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.628 0.371 . . . . 20.0 110.176 177.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -65.41 -46.56 79.49 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.722 0.296 . . . . 20.0 111.15 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -63.04 -37.7 88.24 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.452 -0.34 . . . . 20.0 111.188 -177.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -60.64 -40.42 91.93 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 120.581 0.229 . . . . 20.0 110.551 177.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -62.65 -49.06 76.66 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.511 -0.313 . . . . 20.0 110.412 174.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 31.1 m -52.5 -56.34 15.81 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.501 -0.318 . . . . 20.0 111.155 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -67.45 -29.94 69.53 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.693 -0.23 . . . . 20.0 110.913 -173.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -67.39 -43.85 80.35 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-O 120.649 0.262 . . . . 20.0 110.791 171.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -68.34 -29.82 68.64 Favored 'General case' 0 CA--C 1.552 1.045 0 O-C-N 122.303 -0.248 . . . . 20.0 111.127 -179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 21.1 mt -63.41 -27.96 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 CA-C-O 120.824 0.345 . . . . 20.0 110.727 170.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -72.54 -26.41 61.74 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 116.308 -0.405 . . . . 20.0 110.853 175.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -79.67 -45.97 18.03 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 116.616 -0.266 . . . . 20.0 111.109 175.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 58.2 p -68.92 -32.6 72.34 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 120.612 0.244 . . . . 20.0 110.799 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 85.7 13.99 68.76 Favored Glycine 0 CA--C 1.537 1.463 0 CA-C-N 116.352 -0.385 . . . . 20.0 112.414 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -63.41 119.44 9.73 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 120.756 0.312 . . . . 20.0 111.181 -176.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.56 147.94 33.56 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 116.238 -0.437 . . . . 20.0 110.206 171.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -136.18 -38.05 0.7 Allowed 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 116.449 -0.341 . . . . 20.0 111.772 -177.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -98.51 115.09 27.81 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 120.634 0.254 . . . . 20.0 110.786 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -105.82 127.93 53.42 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 120.822 0.344 . . . . 20.0 110.639 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 43.4 t -66.21 143.89 56.96 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.213 -0.448 . . . . 20.0 109.96 171.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 86.5 mt -100.4 -15.95 17.77 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 120.493 0.187 . . . . 20.0 111.275 -178.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.01 -49.43 19.86 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-O 120.541 0.21 . . . . 20.0 111.184 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 31.9 p -120.02 -2.11 10.29 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 112.072 0.397 . . . . 20.0 112.072 -174.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 79.99 0.41 85.43 Favored Glycine 0 CA--C 1.556 2.618 0 C-N-CA 120.948 -0.644 . . . . 20.0 113.4 172.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -71.91 139.52 48.79 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 117.3 0.55 . . . . 20.0 111.026 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 57.7 m -106.45 149.15 27.34 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-N 116.245 -0.434 . . . . 20.0 111.299 -176.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -133.58 159.0 41.76 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 116.035 -0.529 . . . . 20.0 111.122 -175.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 3.9 tt -84.92 -26.07 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 CA-C-N 116.085 -0.507 . . . . 20.0 111.573 -173.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -151.98 168.99 23.44 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-O 120.978 0.418 . . . . 20.0 111.018 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -69.96 -36.75 75.5 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.042 -0.527 . . . . 20.0 111.045 -172.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -59.27 -43.53 92.48 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 116.425 -0.352 . . . . 20.0 110.959 -175.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -70.85 -44.84 65.61 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 116.585 -0.28 . . . . 20.0 111.147 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -40.95 91.5 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-O 120.593 0.235 . . . . 20.0 111.008 -176.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 26.0 t -60.74 -48.21 82.81 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 120.72 0.295 . . . . 20.0 110.597 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 21.4 t -59.74 -40.38 87.89 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.344 -0.389 . . . . 20.0 111.054 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -62.31 -50.34 72.05 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.437 -0.347 . . . . 20.0 111.202 -178.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 70.7 mt -64.4 -38.93 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-O 120.642 0.258 . . . . 20.0 110.675 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -67.45 -44.26 79.09 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.445 -0.343 . . . . 20.0 111.167 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 46.5 p -80.62 -33.51 35.73 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 111.823 0.305 . . . . 20.0 111.823 -174.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 73.5 t -93.21 -48.14 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-O 120.558 0.218 . . . . 20.0 111.45 -172.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 . . . . . 0 CA--C 1.547 0.852 0 CA-C-N 116.577 -0.283 . . . . 20.0 111.538 -172.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 12.5 mt . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 120.647 0.26 . . . . 20.0 111.406 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -148.0 163.27 37.38 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 120.855 0.36 . . . . 20.0 111.005 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -135.37 140.88 45.36 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.972 -0.558 . . . . 20.0 110.541 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -98.83 124.54 43.79 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.305 -0.407 . . . . 20.0 110.662 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -101.68 158.83 31.02 Favored Pre-proline 0 CA--C 1.555 1.152 0 CA-C-N 116.224 -0.443 . . . . 20.0 110.692 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.92 144.16 99.51 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 122.687 2.258 . . . . 20.0 112.685 -176.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 52.6 m -100.08 129.29 46.11 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.169 -0.469 . . . . 20.0 110.265 173.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -147.14 -1.06 0.67 Allowed 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.238 0.459 . . . . 20.0 112.238 -171.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 95.4 p -67.41 -20.43 65.53 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 120.58 0.229 . . . . 20.0 111.334 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.97 168.96 18.6 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.464 -0.335 . . . . 20.0 110.655 177.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -79.28 105.93 10.95 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.259 -0.428 . . . . 20.0 111.37 -172.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 27.9 pt -147.89 171.85 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 CA-C-N 115.831 -0.622 . . . . 20.0 110.041 170.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -80.94 147.47 30.27 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 110.163 -0.31 . . . . 20.0 110.163 172.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -125.88 118.78 26.19 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.898 0.38 . . . . 20.0 110.39 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -59.85 151.62 25.22 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.848 -0.614 . . . . 20.0 110.971 -177.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -64.1 -13.45 47.8 Favored 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 112.2 0.445 . . . . 20.0 112.2 -173.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -80.94 -13.61 58.74 Favored 'General case' 0 CA--C 1.557 1.236 0 O-C-N 122.432 -0.167 . . . . 20.0 111.129 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.812 0.339 . . . . 20.0 110.175 169.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 11.6 p30 . . . . . 0 CA--C 1.555 1.135 0 CA-C-O 120.759 0.314 . . . . 20.0 111.24 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -159.47 175.52 13.19 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.828 0.346 . . . . 20.0 111.01 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -138.02 156.84 47.41 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.97 -0.559 . . . . 20.0 110.446 171.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -96.83 140.86 30.77 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 120.863 0.363 . . . . 20.0 110.809 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.7 tp -139.02 113.24 8.76 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.059 -0.519 . . . . 20.0 110.324 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 30.5 mt -84.12 123.56 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-O 120.951 0.405 . . . . 20.0 110.55 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 44.9 t -137.16 129.05 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 115.772 -0.649 . . . . 20.0 110.114 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.41 36.12 19.2 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-O 120.904 0.383 . . . . 20.0 111.282 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.97 0.91 86.73 Favored Glycine 0 CA--C 1.55 2.23 0 CA-C-N 116.408 -0.36 . . . . 20.0 112.94 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 -108.36 136.04 48.65 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.485 0.314 . . . . 20.0 110.647 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 73.3 t -80.04 118.5 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-O 120.724 0.297 . . . . 20.0 110.315 174.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -100.2 155.77 17.57 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.23 -0.441 . . . . 20.0 110.236 171.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -120.48 125.66 48.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.209 -0.451 . . . . 20.0 110.029 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.3 mt -120.49 130.0 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.866 0.365 . . . . 20.0 111.176 -169.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 5.2 t -67.67 136.93 55.11 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 116.157 -0.474 . . . . 20.0 110.656 176.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 35.6 pt -67.62 -40.9 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 N-CA-C 111.712 0.264 . . . . 20.0 111.712 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.91 -64.46 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 112.002 0.371 . . . . 20.0 112.002 -175.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.2 p -105.15 -6.34 19.94 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 112.477 0.547 . . . . 20.0 112.477 -169.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 62.1 36.23 15.34 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 122.679 0.391 . . . . 20.0 111.871 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -73.51 126.35 30.04 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 109.969 -0.382 . . . . 20.0 109.969 169.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 34.6 p -95.52 143.6 26.7 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 120.872 0.368 . . . . 20.0 111.202 -177.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -136.7 143.77 43.56 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.921 -0.581 . . . . 20.0 111.162 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 72.3 t -79.33 -21.14 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-N 115.933 -0.576 . . . . 20.0 110.828 174.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 69.3 m -133.3 133.28 42.37 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 120.762 0.315 . . . . 20.0 110.994 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 24.0 mt -55.31 -32.61 62.6 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 116.384 -0.371 . . . . 20.0 110.935 175.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 29.3 p -56.43 -40.23 74.41 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.585 0.231 . . . . 20.0 111.163 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 19.6 m -67.82 -41.91 82.34 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.61 -0.268 . . . . 20.0 110.925 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 5.9 tp -60.38 -45.93 91.77 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.339 -0.391 . . . . 20.0 110.819 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -59.98 -44.8 94.26 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 120.75 0.309 . . . . 20.0 110.629 178.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -59.01 -38.42 79.19 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.069 -0.514 . . . . 20.0 110.937 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -78.32 -47.39 17.87 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 116.336 -0.393 . . . . 20.0 111.613 -175.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -58.94 -21.83 58.8 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 111.638 0.236 . . . . 20.0 111.638 -170.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -24.27 60.83 Favored 'General case' 0 CA--C 1.562 1.442 0 CA-C-O 120.508 0.194 . . . . 20.0 111.227 175.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 41.8 mt -73.94 -21.28 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 122.436 0.294 . . . . 20.0 111.05 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -94.23 -43.0 8.65 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.606 0.241 . . . . 20.0 110.925 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 94.0 p -74.28 -37.15 63.79 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.446 -0.343 . . . . 20.0 111.381 -175.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 63.7 m95 50.65 30.57 4.99 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.269 0.557 . . . . 20.0 110.504 -169.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -69.84 -32.93 71.59 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.856 -0.611 . . . . 20.0 110.622 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -127.39 115.88 19.62 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.175 -0.466 . . . . 20.0 110.386 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -90.24 146.78 23.98 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 116.342 -0.39 . . . . 20.0 110.731 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -123.64 79.86 55.37 Favored Pre-proline 0 CA--C 1.548 0.896 0 CA-C-N 116.123 -0.49 . . . . 20.0 110.599 178.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.98 145.44 24.92 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.755 2.303 . . . . 20.0 112.721 -177.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 40.5 t -80.75 146.25 31.1 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 115.884 -0.598 . . . . 20.0 110.595 175.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -82.37 -30.56 30.21 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 116.642 -0.254 . . . . 20.0 111.387 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -85.7 -26.61 25.82 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 116.561 -0.291 . . . . 20.0 111.722 -173.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 20.1 p -138.48 162.27 34.93 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 120.781 0.324 . . . . 20.0 110.713 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -80.97 29.36 0.34 Allowed 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 120.768 0.318 . . . . 20.0 111.655 -174.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -87.94 149.62 23.95 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 116.526 -0.306 . . . . 20.0 110.838 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 14.1 t -126.18 135.83 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 116.266 -0.425 . . . . 20.0 110.783 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -110.26 154.23 42.98 Favored Pre-proline 0 CA--C 1.543 0.692 0 CA-C-N 115.974 -0.557 . . . . 20.0 110.726 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -85.55 -4.55 9.21 Favored 'Trans proline' 0 CA--C 1.556 1.591 0 C-N-CA 122.963 2.442 . . . . 20.0 112.974 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.3 mp -132.95 146.94 52.23 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.393 0.277 . . . . 20.0 110.462 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.98 -44.63 92.11 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 116.526 -0.306 . . . . 20.0 110.891 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -55.78 -39.37 71.16 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.549 -0.296 . . . . 20.0 110.903 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 9.5 m-30 -68.62 -38.89 80.9 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.531 -0.304 . . . . 20.0 111.231 -173.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -68.8 -39.79 79.92 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 120.838 -0.345 . . . . 20.0 110.576 173.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 55.2 m -61.85 -57.1 13.13 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.51 0.195 . . . . 20.0 110.824 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -63.88 -32.01 73.39 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.808 -0.178 . . . . 20.0 110.932 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -67.53 -44.92 77.19 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-O 120.689 0.28 . . . . 20.0 110.967 175.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.64 -27.21 64.86 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-O 120.566 0.222 . . . . 20.0 110.827 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 13.1 mt -66.46 -26.8 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-O 120.736 0.303 . . . . 20.0 110.518 169.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -78.99 -30.42 44.32 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 116.324 -0.398 . . . . 20.0 111.153 176.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -72.53 -39.17 67.76 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 120.805 0.336 . . . . 20.0 110.696 175.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 21.6 p -84.76 -13.81 50.09 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 116.083 -0.508 . . . . 20.0 111.309 -177.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 70.22 13.3 70.14 Favored Glycine 0 CA--C 1.541 1.699 0 C-N-CA 121.564 -0.351 . . . . 20.0 112.487 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -57.11 115.06 2.42 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 120.847 0.355 . . . . 20.0 111.062 -176.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -76.7 138.63 40.12 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.327 -0.397 . . . . 20.0 110.218 174.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 51.8 mmm-85 -123.76 -59.19 1.54 Allowed 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 116.191 -0.459 . . . . 20.0 111.198 -172.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -92.44 107.32 19.12 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.707 0.289 . . . . 20.0 110.706 -173.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -98.04 137.44 36.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.352 -0.385 . . . . 20.0 110.6 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 45.9 t -73.23 151.46 41.42 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 109.983 -0.377 . . . . 20.0 109.983 171.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 92.1 mt -110.73 -14.09 14.07 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 120.472 0.177 . . . . 20.0 111.289 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.22 -47.41 28.32 Favored 'General case' 0 CA--C 1.556 1.18 0 CA-C-N 116.673 -0.24 . . . . 20.0 111.112 175.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 31.5 p -120.07 -8.35 9.77 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 112.02 0.378 . . . . 20.0 112.02 -176.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 87.29 -3.93 86.4 Favored Glycine 0 CA--C 1.558 2.752 0 C-N-CA 121.006 -0.616 . . . . 20.0 113.684 172.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -67.79 137.32 55.3 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 117.401 0.6 . . . . 20.0 111.256 -175.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 16.7 m -101.59 135.37 43.23 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-N 116.274 -0.421 . . . . 20.0 111.276 -175.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -123.89 159.19 30.2 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 116.155 -0.475 . . . . 20.0 110.893 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 2.1 tt -80.53 -24.56 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-N 116.289 -0.414 . . . . 20.0 111.733 -172.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 42.5 p30 -154.63 170.48 21.41 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-O 120.955 0.407 . . . . 20.0 111.312 -173.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -64.87 -38.05 89.69 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.027 -0.533 . . . . 20.0 111.146 -176.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.6 mp0 -58.46 -42.94 88.58 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.32 -0.4 . . . . 20.0 110.902 -174.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -69.02 -46.05 68.93 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.603 -0.271 . . . . 20.0 110.951 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -47.03 87.11 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-O 120.483 0.182 . . . . 20.0 111.121 -178.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 8.9 t -64.8 -45.74 84.99 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.633 0.254 . . . . 20.0 110.776 -178.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 24.1 t -58.9 -41.64 87.69 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.812 0.339 . . . . 20.0 110.817 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 31.0 t60 -63.73 -48.97 74.89 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.37 -0.377 . . . . 20.0 111.145 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 66.9 mt -59.35 -45.7 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-O 120.659 0.266 . . . . 20.0 110.54 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -66.49 -40.25 89.17 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.433 -0.349 . . . . 20.0 111.229 -176.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 36.6 p -82.19 -32.55 29.85 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 111.715 0.265 . . . . 20.0 111.715 -174.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 74.0 t -96.92 -50.3 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 CA-C-O 120.435 0.16 . . . . 20.0 111.37 -173.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 CA--C 1.548 0.902 0 CA-C-N 116.592 -0.276 . . . . 20.0 111.501 -172.402 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 13.3 mt . . . . . 0 CA--C 1.552 1.055 0 CA-C-O 121.075 0.464 . . . . 20.0 110.316 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -142.7 155.74 44.94 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.181 -177.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -123.36 124.65 43.42 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.29 -0.414 . . . . 20.0 110.394 177.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.7 tt -94.39 107.26 19.23 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 116.313 -0.403 . . . . 20.0 110.445 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -79.92 154.89 75.49 Favored Pre-proline 0 CA--C 1.544 0.746 0 CA-C-N 116.21 -0.45 . . . . 20.0 110.866 -177.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -61.78 149.48 89.85 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 122.443 2.096 . . . . 20.0 112.334 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 47.9 t -89.53 126.13 35.48 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.272 -0.422 . . . . 20.0 110.054 171.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.49 -15.1 6.72 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 116.563 -0.289 . . . . 20.0 111.427 -176.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 46.6 m -66.61 -26.99 67.35 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 116.785 -0.189 . . . . 20.0 111.323 -177.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.5 pp -140.93 164.97 28.81 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 120.869 0.366 . . . . 20.0 111.003 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -83.9 118.89 24.28 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.141 -0.481 . . . . 20.0 111.502 -170.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 28.6 pt -141.78 169.64 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 CA-C-N 115.855 -0.611 . . . . 20.0 110.1 171.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -69.21 141.06 54.59 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 110.001 -0.37 . . . . 20.0 110.001 170.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -116.76 96.7 5.6 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.935 0.397 . . . . 20.0 110.691 -173.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -54.55 143.72 23.62 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.064 -0.516 . . . . 20.0 110.481 176.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.82 -10.74 51.09 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 112.279 0.474 . . . . 20.0 112.279 -171.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -85.04 -16.47 40.62 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.592 0.234 . . . . 20.0 111.019 174.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.544 0.712 0 CA-C-O 120.876 0.37 . . . . 20.0 110.194 169.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 45.9 p-10 . . . . . 0 CA--C 1.551 1.016 0 CA-C-O 120.685 0.279 . . . . 20.0 111.128 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -160.63 176.94 11.0 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.006 0.432 . . . . 20.0 111.379 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -136.36 159.34 42.07 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.518 -0.765 . . . . 20.0 109.802 169.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -100.56 119.75 39.0 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.85 0.357 . . . . 20.0 110.773 -176.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.5 tp -116.98 113.77 22.85 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.019 -0.537 . . . . 20.0 110.27 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 34.6 mt -87.63 123.49 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-O 120.921 0.391 . . . . 20.0 110.6 -178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 38.8 t -138.64 129.45 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 115.878 -0.601 . . . . 20.0 110.24 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.41 37.17 21.91 Favored 'General case' 0 CA--C 1.566 1.563 0 CA-C-O 121.004 0.43 . . . . 20.0 111.213 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.38 2.99 88.44 Favored Glycine 0 CA--C 1.55 2.245 0 C-N-CA 121.458 -0.401 . . . . 20.0 112.881 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -112.06 137.21 50.41 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 116.873 0.337 . . . . 20.0 110.719 -178.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 95.4 t -81.62 121.5 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-O 120.661 0.267 . . . . 20.0 110.358 174.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -107.04 115.57 30.4 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.323 -0.399 . . . . 20.0 110.455 175.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -79.86 116.62 20.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 20.0 110.027 177.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 2.5 mt -110.23 124.78 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-N 116.393 -0.367 . . . . 20.0 110.753 -172.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.6 t -62.55 136.04 57.69 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.089 -0.505 . . . . 20.0 110.664 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 28.5 pt -68.69 -39.4 80.23 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 N-CA-C 111.726 0.269 . . . . 20.0 111.726 -176.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 47.9 t -61.23 -65.35 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 111.781 0.289 . . . . 20.0 111.781 -176.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 27.4 p -104.95 -2.95 23.92 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 112.475 0.546 . . . . 20.0 112.475 -169.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 59.49 35.75 22.86 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 111.919 0.341 . . . . 20.0 111.919 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 -79.02 130.39 35.48 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 110.079 -0.341 . . . . 20.0 110.079 169.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 20.3 p -92.32 144.04 25.79 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 116.42 -0.354 . . . . 20.0 111.145 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -135.82 140.04 43.92 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.007 -0.542 . . . . 20.0 110.898 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 86.8 t -78.4 -20.01 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 CA-C-N 115.946 -0.57 . . . . 20.0 110.944 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 68.1 m -133.59 136.02 44.62 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.52 -0.309 . . . . 20.0 111.053 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.12 -34.27 74.71 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 116.461 -0.336 . . . . 20.0 110.973 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 15.7 p -52.55 -40.7 62.83 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 120.575 0.226 . . . . 20.0 111.002 176.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 22.3 m -67.36 -40.87 85.82 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.562 -0.29 . . . . 20.0 111.085 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 6.8 tp -61.69 -49.07 77.95 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 116.573 -0.285 . . . . 20.0 110.979 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -62.89 -44.01 97.26 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 120.551 0.215 . . . . 20.0 110.617 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -58.24 -41.25 83.76 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.38 -0.373 . . . . 20.0 110.96 174.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -71.26 -44.93 64.3 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-N 116.267 -0.424 . . . . 20.0 111.504 -177.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -60.51 -20.65 60.85 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 111.629 0.233 . . . . 20.0 111.629 -172.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -23.49 62.53 Favored 'General case' 0 CA--C 1.563 1.453 0 CA-C-O 120.566 0.222 . . . . 20.0 111.128 175.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 34.9 mt -77.24 -19.94 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.151 0 C-N-CA 122.457 0.303 . . . . 20.0 111.006 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -96.15 -41.34 8.76 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.679 0.276 . . . . 20.0 110.992 178.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 78.7 p -78.08 -34.96 49.95 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.49 -0.323 . . . . 20.0 111.441 -176.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 53.2 m95 50.6 34.26 9.39 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-O 121.318 0.58 . . . . 20.0 110.114 -169.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.13 -32.65 74.23 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.593 -0.731 . . . . 20.0 110.753 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -130.01 120.27 24.47 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.008 -0.542 . . . . 20.0 110.406 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -90.14 144.46 25.86 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.325 -0.398 . . . . 20.0 110.622 176.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -121.97 80.02 42.17 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 116.073 -0.512 . . . . 20.0 110.393 178.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.41 150.76 25.49 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.822 2.348 . . . . 20.0 112.728 -175.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 45.4 t -87.63 145.4 26.2 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.845 -0.616 . . . . 20.0 110.42 173.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -82.32 -33.03 29.14 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 120.605 0.24 . . . . 20.0 111.18 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -82.64 -24.07 33.96 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 116.416 -0.356 . . . . 20.0 111.671 -172.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.5 p -142.37 163.46 32.78 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 120.733 0.302 . . . . 20.0 110.73 175.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -81.06 30.29 0.33 Allowed 'General case' 0 CA--C 1.565 1.545 0 CA-C-O 120.829 0.347 . . . . 20.0 111.748 -174.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -88.77 147.37 24.48 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 116.467 -0.333 . . . . 20.0 110.864 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 14.5 t -128.66 139.18 52.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 CA-C-N 116.271 -0.422 . . . . 20.0 110.811 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -114.92 156.1 45.56 Favored Pre-proline 0 CA--C 1.547 0.835 0 CA-C-N 115.897 -0.592 . . . . 20.0 110.827 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -85.68 -1.21 8.9 Favored 'Trans proline' 0 CA--C 1.558 1.696 0 C-N-CA 123.039 2.493 . . . . 20.0 112.917 176.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 4.5 mp -136.31 148.91 48.18 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 120.744 0.307 . . . . 20.0 110.748 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.17 -42.56 88.76 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 116.312 -0.404 . . . . 20.0 111.026 175.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -54.47 -42.41 70.65 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.841 0.353 . . . . 20.0 110.702 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -68.19 -38.87 82.46 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.196 -0.456 . . . . 20.0 111.274 -172.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -69.51 -33.14 72.41 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 121.083 -0.247 . . . . 20.0 110.63 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 35.5 m -67.35 -57.65 6.23 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.459 0.171 . . . . 20.0 110.752 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -57.15 -36.12 70.36 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 120.713 0.292 . . . . 20.0 110.849 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -67.99 -46.4 71.43 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 116.562 -0.29 . . . . 20.0 111.135 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -67.75 -27.51 66.84 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 122.4 -0.188 . . . . 20.0 111.056 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 25.1 mt -65.14 -31.74 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-O 120.708 0.29 . . . . 20.0 110.4 170.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.87 -32.33 65.33 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 116.25 -0.432 . . . . 20.0 111.079 176.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -74.39 -41.57 60.75 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 120.743 0.306 . . . . 20.0 111.108 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 19.9 p -80.53 -18.76 47.48 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-N 116.426 -0.352 . . . . 20.0 111.425 -175.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 78.05 11.42 85.4 Favored Glycine 0 CA--C 1.542 1.772 0 C-N-CA 121.56 -0.352 . . . . 20.0 112.485 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -57.25 117.16 3.79 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 120.878 0.37 . . . . 20.0 110.959 -177.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -80.58 140.16 35.91 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.358 -0.383 . . . . 20.0 110.514 176.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 66.4 mtp85 -114.68 -53.86 2.62 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 116.026 -0.534 . . . . 20.0 111.082 -176.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -102.93 120.43 40.62 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.275 -0.42 . . . . 20.0 110.751 -173.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -105.85 131.88 52.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.316 -0.402 . . . . 20.0 110.543 177.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 42.2 t -67.48 144.11 55.86 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.115 -0.493 . . . . 20.0 110.052 171.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 79.7 mt -101.2 -15.47 17.32 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 120.525 0.203 . . . . 20.0 111.35 -178.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.17 -49.11 20.51 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 116.715 -0.221 . . . . 20.0 111.134 177.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 28.3 p -120.12 -2.54 10.18 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 112.012 0.375 . . . . 20.0 112.012 -175.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 79.99 2.59 88.85 Favored Glycine 0 CA--C 1.556 2.596 0 C-N-CA 120.99 -0.624 . . . . 20.0 113.603 172.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -72.17 138.18 47.45 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 117.38 0.59 . . . . 20.0 110.975 -177.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 43.8 m -105.08 141.17 37.12 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 116.316 -0.402 . . . . 20.0 111.173 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -127.54 158.82 36.43 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 116.248 -0.433 . . . . 20.0 111.006 -175.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.4 tt -82.98 -25.7 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 116.252 -0.431 . . . . 20.0 111.686 -172.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 31.0 p30 -152.21 172.18 16.78 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 120.989 0.423 . . . . 20.0 111.26 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -68.51 -36.55 79.04 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.926 -0.579 . . . . 20.0 111.376 -175.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.4 mp0 -60.22 -45.15 94.2 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-O 120.709 0.29 . . . . 20.0 110.963 -176.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -68.4 -48.34 64.94 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.568 -0.287 . . . . 20.0 111.091 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -40.02 95.86 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 120.574 0.226 . . . . 20.0 110.775 -177.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 35.2 t -61.73 -49.59 75.8 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.719 0.295 . . . . 20.0 110.628 177.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 27.2 t -60.07 -39.81 87.34 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.32 -0.4 . . . . 20.0 110.945 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -63.4 -49.66 72.93 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 116.485 -0.325 . . . . 20.0 111.187 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 67.8 mt -65.95 -35.45 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 120.634 0.254 . . . . 20.0 110.674 -177.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -67.83 -46.94 70.4 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 116.489 -0.323 . . . . 20.0 111.123 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 30.5 p -78.01 -33.47 51.21 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 111.814 0.302 . . . . 20.0 111.814 -173.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 71.0 t -94.78 -48.58 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 111.486 0.18 . . . . 20.0 111.486 -172.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 . . . . . 0 CA--C 1.551 0.996 0 CA-C-N 116.627 -0.26 . . . . 20.0 111.537 -173.036 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 8.1 mt . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.591 0.234 . . . . 20.0 111.365 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -148.98 163.73 36.64 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 120.901 0.382 . . . . 20.0 111.102 -178.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -136.97 140.84 42.49 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.003 -0.544 . . . . 20.0 110.609 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.78 126.7 41.22 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 116.39 -0.368 . . . . 20.0 110.564 -179.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -106.97 150.23 39.55 Favored Pre-proline 0 N--CA 1.483 1.216 0 CA-C-N 116.454 -0.339 . . . . 20.0 110.822 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -66.11 156.86 62.61 Favored 'Trans proline' 0 CA--C 1.545 1.025 0 C-N-CA 122.599 2.199 . . . . 20.0 112.555 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 37.0 t -97.85 132.0 43.84 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.035 -0.53 . . . . 20.0 110.546 176.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -128.4 -12.23 5.04 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 116.338 -0.392 . . . . 20.0 111.61 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 36.3 m -68.77 -28.0 66.4 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 111.626 0.232 . . . . 20.0 111.626 -175.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.1 pp -139.86 164.2 30.61 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 120.897 0.379 . . . . 20.0 110.849 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.38 109.16 17.64 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 116.122 -0.49 . . . . 20.0 111.446 -171.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 25.0 pt -144.74 168.95 9.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 CA-C-N 115.78 -0.646 . . . . 20.0 109.906 169.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -76.39 141.01 41.59 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 110.064 -0.347 . . . . 20.0 110.064 174.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -123.7 115.16 20.96 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.01 0.433 . . . . 20.0 110.593 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -64.84 160.36 20.53 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.684 -0.689 . . . . 20.0 111.087 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -65.44 -12.47 52.78 Favored 'General case' 0 CA--C 1.561 1.387 0 CA-C-N 116.401 -0.363 . . . . 20.0 111.848 -177.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -84.31 -24.36 29.87 Favored 'General case' 0 CA--C 1.556 1.194 0 O-C-N 122.459 -0.15 . . . . 20.0 110.968 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.076 -0.342 . . . . 20.0 110.076 169.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 10.3 p30 . . . . . 0 CA--C 1.553 1.071 0 CA-C-O 120.939 0.4 . . . . 20.0 110.505 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -161.31 176.07 11.59 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.879 -0.601 . . . . 20.0 110.077 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -134.88 155.49 50.59 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.37 -0.377 . . . . 20.0 110.246 169.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -108.82 122.86 48.06 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.008 0.432 . . . . 20.0 110.653 -174.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 14.6 tp -118.31 117.08 28.12 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.747 -0.66 . . . . 20.0 110.233 -178.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 27.9 mt -88.55 122.9 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.946 0.403 . . . . 20.0 110.589 -178.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 47.4 t -137.67 128.31 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 115.75 -0.659 . . . . 20.0 110.032 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.17 36.65 19.75 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-O 120.955 0.407 . . . . 20.0 111.217 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 80.26 -0.74 83.45 Favored Glycine 0 CA--C 1.55 2.246 0 CA-C-N 116.415 -0.357 . . . . 20.0 112.95 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -105.88 134.07 49.6 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.477 0.311 . . . . 20.0 110.757 -178.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 84.0 t -80.95 122.83 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 110.23 -0.285 . . . . 20.0 110.23 175.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -110.4 114.03 27.16 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.392 -0.367 . . . . 20.0 110.541 177.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -79.79 120.15 23.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.297 -0.41 . . . . 20.0 110.23 177.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.3 mt -113.75 130.94 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.353 -0.385 . . . . 20.0 110.908 -172.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 8.9 t -67.04 136.85 55.88 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.723 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 21.4 pt -68.41 -39.83 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 CA-C-N 116.665 -0.243 . . . . 20.0 111.639 -177.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 52.4 t -61.47 -64.46 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 111.813 0.301 . . . . 20.0 111.813 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 29.7 p -105.04 -4.76 21.58 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 112.726 0.639 . . . . 20.0 112.726 -169.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 58.66 38.48 25.08 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 122.563 0.345 . . . . 20.0 111.796 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -81.12 133.18 35.42 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 109.991 -0.374 . . . . 20.0 109.991 169.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 31.0 p -95.25 141.77 28.46 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 120.881 0.372 . . . . 20.0 111.293 -175.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -134.85 137.06 42.92 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.782 -0.645 . . . . 20.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 72.2 t -76.81 -16.82 14.76 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.853 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 56.7 m -133.9 136.35 44.24 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.447 -0.342 . . . . 20.0 111.047 -177.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 20.5 mt -58.7 -33.41 70.14 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.311 -0.404 . . . . 20.0 110.751 174.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 29.6 p -53.66 -45.89 70.4 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-O 120.639 0.257 . . . . 20.0 110.967 175.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 53.0 m -66.25 -41.83 89.42 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.54 -0.3 . . . . 20.0 110.799 178.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.49 -47.63 85.28 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.514 -0.312 . . . . 20.0 110.84 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -48.51 79.22 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.381 0.272 . . . . 20.0 110.752 179.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -54.38 -38.73 66.49 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 116.21 -0.45 . . . . 20.0 110.933 175.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -75.03 -45.36 42.23 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 116.293 -0.412 . . . . 20.0 111.441 -178.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -61.28 -23.54 65.76 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 120.546 0.212 . . . . 20.0 111.459 -172.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.64 -25.46 62.75 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-N 116.654 -0.248 . . . . 20.0 111.069 174.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 30.8 mt -76.1 -19.02 15.3 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 C-N-CA 122.474 0.31 . . . . 20.0 111.074 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -95.95 -41.64 8.68 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.633 0.254 . . . . 20.0 110.945 177.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 87.7 p -74.93 -36.73 62.14 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.588 -0.278 . . . . 20.0 111.282 -177.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 71.2 m95 49.43 34.29 6.48 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 121.293 0.568 . . . . 20.0 110.38 -169.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -73.99 -30.66 62.59 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.833 -0.621 . . . . 20.0 110.752 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -128.83 117.03 20.37 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.187 -0.46 . . . . 20.0 110.443 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -96.29 151.29 19.66 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.224 -0.444 . . . . 20.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -127.82 80.83 71.41 Favored Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 116.016 -0.538 . . . . 20.0 110.592 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -69.65 145.81 58.94 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.756 2.304 . . . . 20.0 112.584 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 42.8 t -80.54 144.27 32.6 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 115.871 -0.604 . . . . 20.0 110.495 172.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -78.7 -35.15 45.38 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-O 120.642 0.258 . . . . 20.0 111.092 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -81.61 -26.01 35.24 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-N 116.272 -0.422 . . . . 20.0 111.762 -172.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 15.6 p -141.88 167.51 21.97 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.764 0.316 . . . . 20.0 110.968 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.29 11.8 2.71 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 111.995 0.368 . . . . 20.0 111.995 -173.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -71.82 146.52 47.94 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 120.781 0.324 . . . . 20.0 110.989 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 21.8 t -125.89 138.63 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 CA-C-N 116.048 -0.524 . . . . 20.0 110.627 175.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -111.03 148.17 38.09 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 116.014 -0.539 . . . . 20.0 110.813 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -82.44 -3.87 11.51 Favored 'Trans proline' 0 CA--C 1.557 1.649 0 C-N-CA 122.98 2.453 . . . . 20.0 112.522 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.3 mp -130.94 146.7 52.43 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.653 0.381 . . . . 20.0 110.289 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -70.57 -42.14 71.49 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 116.629 -0.259 . . . . 20.0 111.338 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.85 -37.71 88.4 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 121.249 -0.18 . . . . 20.0 110.801 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -59.89 -38.49 82.4 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.486 0.184 . . . . 20.0 110.841 176.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -52.74 64.16 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.891 0.377 . . . . 20.0 110.21 173.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 98.6 m -59.93 -53.9 52.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.822 -0.626 . . . . 20.0 111.301 -174.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -56.5 -40.59 75.24 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 120.704 0.288 . . . . 20.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -68.92 -44.38 73.22 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 116.509 -0.314 . . . . 20.0 111.227 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -67.08 -30.99 71.18 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.555 0.217 . . . . 20.0 110.897 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 51.6 mt -62.75 -43.87 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 110.254 -0.276 . . . . 20.0 110.254 170.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -62.74 -30.95 71.82 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 116.557 -0.292 . . . . 20.0 110.977 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -72.48 -28.55 62.98 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 120.675 0.274 . . . . 20.0 111.096 175.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 18.0 m -89.75 -36.61 15.08 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.4 -0.364 . . . . 20.0 111.202 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 92.45 11.74 59.2 Favored Glycine 0 CA--C 1.546 1.988 0 CA-C-N 116.441 -0.345 . . . . 20.0 112.607 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -60.13 115.58 3.58 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 120.918 0.39 . . . . 20.0 111.018 -177.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 37.0 mmt-85 -89.45 80.81 6.67 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 116.319 -0.401 . . . . 20.0 110.59 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -78.14 -32.24 50.25 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 116.119 -0.491 . . . . 20.0 111.766 -173.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -90.31 96.97 10.91 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.815 0.34 . . . . 20.0 110.622 -174.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -95.1 131.5 41.03 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.926 0.393 . . . . 20.0 111.019 -178.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 43.7 t -70.3 149.35 47.48 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.044 -0.525 . . . . 20.0 110.198 171.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 96.2 mt -106.54 -21.1 13.17 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.605 -0.27 . . . . 20.0 111.269 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -74.99 -50.01 17.99 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-N 116.642 -0.254 . . . . 20.0 111.155 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 28.5 p -117.56 -1.47 11.66 Favored 'General case' 0 CA--C 1.562 1.431 0 N-CA-C 111.878 0.325 . . . . 20.0 111.878 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 82.96 -8.76 62.1 Favored Glycine 0 CA--C 1.557 2.689 0 C-N-CA 121.113 -0.565 . . . . 20.0 113.574 171.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -65.07 140.44 58.83 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 117.399 0.6 . . . . 20.0 111.175 -175.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 25.3 m -104.19 141.4 36.32 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 120.911 0.386 . . . . 20.0 111.234 -176.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -129.72 162.1 29.15 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 116.017 -0.538 . . . . 20.0 110.816 -177.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 8.6 tt -86.42 -26.84 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 CA-C-N 116.268 -0.424 . . . . 20.0 112.11 -169.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 56.0 p30 -153.49 171.46 18.66 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-O 121.101 0.477 . . . . 20.0 111.426 -175.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -60.98 -40.57 93.95 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.876 -0.602 . . . . 20.0 111.101 -177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.5 mp0 -59.31 -44.53 92.56 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 116.502 -0.317 . . . . 20.0 110.929 -175.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -71.29 -47.85 54.3 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.594 -0.275 . . . . 20.0 111.15 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.5 -39.64 92.09 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-O 120.463 0.173 . . . . 20.0 110.954 -177.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 48.5 t -63.82 -48.23 77.62 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 120.674 0.273 . . . . 20.0 110.594 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 40.7 t -57.95 -40.74 81.27 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.372 -0.376 . . . . 20.0 110.865 176.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -64.81 -49.49 70.43 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 116.477 -0.329 . . . . 20.0 111.116 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 84.8 mt -62.41 -39.32 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-O 120.613 0.244 . . . . 20.0 110.679 -178.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -69.23 -39.5 78.49 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.514 -0.312 . . . . 20.0 111.384 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 30.2 p -83.45 -33.0 25.74 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 111.67 0.248 . . . . 20.0 111.67 -175.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 72.3 t -97.05 -48.61 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 CA-C-O 120.433 0.158 . . . . 20.0 111.357 -173.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 . . . . . 0 CA--C 1.553 1.072 0 CA-C-N 116.687 -0.233 . . . . 20.0 111.527 -173.877 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 83.1 mt . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 112.494 0.553 . . . . 20.0 112.494 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -143.6 156.26 44.53 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.054 0.454 . . . . 20.0 111.428 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -144.56 133.67 22.81 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.712 -0.676 . . . . 20.0 110.19 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.5 tt -102.55 110.16 22.01 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 120.848 0.356 . . . . 20.0 110.546 -175.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -81.65 155.13 71.16 Favored Pre-proline 0 CA--C 1.555 1.137 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.815 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -56.5 148.05 65.48 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 122.596 2.198 . . . . 20.0 112.549 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 46.3 t -85.07 119.62 25.67 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.308 -0.406 . . . . 20.0 110.288 174.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -111.35 -20.02 12.41 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 116.562 -0.29 . . . . 20.0 111.505 -175.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 55.3 m -69.48 -26.62 64.65 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 111.811 0.301 . . . . 20.0 111.811 -173.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.7 pp -146.31 167.89 22.45 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-O 120.839 0.352 . . . . 20.0 111.026 -178.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.89 116.29 22.7 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.075 -0.511 . . . . 20.0 111.539 -170.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 19.9 pt -142.4 167.05 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 CA-C-N 115.871 -0.604 . . . . 20.0 110.366 171.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -74.17 137.56 43.22 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 110.086 -0.339 . . . . 20.0 110.086 170.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -109.61 96.1 6.05 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.191 -0.459 . . . . 20.0 110.754 -171.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -63.44 154.06 33.38 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.028 -0.533 . . . . 20.0 111.15 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.01 -14.04 60.95 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 116.139 -0.482 . . . . 20.0 111.989 -174.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -80.38 -25.23 39.24 Favored 'General case' 0 CA--C 1.552 1.028 0 O-C-N 122.402 -0.186 . . . . 20.0 111.167 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 109.852 -0.425 . . . . 20.0 109.852 169.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 29.1 p30 . . . . . 0 CA--C 1.555 1.139 0 CA-C-O 120.743 0.306 . . . . 20.0 111.183 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -161.15 178.55 9.18 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 116.432 -0.349 . . . . 20.0 110.635 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -138.5 157.73 45.61 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.966 -0.561 . . . . 20.0 110.299 170.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -101.13 136.19 41.39 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.329 -0.396 . . . . 20.0 110.699 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.7 tp -133.8 116.19 15.41 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.034 -0.53 . . . . 20.0 110.28 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 23.3 mt -85.74 123.43 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 120.944 0.402 . . . . 20.0 110.542 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.86 125.35 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 115.804 -0.635 . . . . 20.0 110.109 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 39.0 t0 50.66 39.37 21.47 Favored 'General case' 0 CA--C 1.565 1.538 0 CA-C-O 120.991 0.424 . . . . 20.0 111.03 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.43 -25.84 7.74 Favored Glycine 0 CA--C 1.546 2.029 0 CA-C-N 116.202 -0.454 . . . . 20.0 112.854 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 58.0 mtm-85 -82.62 134.37 35.17 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.759 0.279 . . . . 20.0 111.086 -177.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 63.2 t -80.07 117.95 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 110.094 -0.336 . . . . 20.0 110.094 170.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -100.37 156.45 17.24 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.158 -0.474 . . . . 20.0 110.226 173.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -121.18 124.62 45.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 20.0 110.099 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 5.6 mt -119.25 128.3 75.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-O 120.85 0.357 . . . . 20.0 110.988 -170.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 4.1 t -67.31 139.07 57.25 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.671 178.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 37.1 pt -69.13 -39.98 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 111.724 0.268 . . . . 20.0 111.724 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 45.6 t -60.89 -63.67 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 N-CA-C 111.798 0.296 . . . . 20.0 111.798 -175.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.4 p -105.09 -5.56 20.72 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 112.315 0.487 . . . . 20.0 112.315 -169.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 60.8 mttp 57.51 36.27 26.75 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 122.571 0.349 . . . . 20.0 111.758 -177.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -77.53 133.33 38.55 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 109.809 -0.441 . . . . 20.0 109.809 169.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 28.1 p -94.7 147.41 23.35 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.95 0.405 . . . . 20.0 111.24 -176.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -137.78 138.57 39.36 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.667 -0.697 . . . . 20.0 110.889 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 64.5 t -79.67 -16.94 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 116.046 -0.525 . . . . 20.0 110.927 177.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 75.7 m -135.36 138.4 43.31 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.447 -0.342 . . . . 20.0 110.982 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 17.2 mt -58.31 -35.3 71.66 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.421 -0.354 . . . . 20.0 110.646 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 36.6 p -51.29 -43.59 61.68 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 116.515 -0.311 . . . . 20.0 111.084 177.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 34.6 m -66.78 -40.54 88.21 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.427 -0.351 . . . . 20.0 110.954 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 7.8 tp -61.68 -48.16 82.07 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 116.497 -0.32 . . . . 20.0 110.93 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -47.17 82.41 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 120.683 0.278 . . . . 20.0 110.45 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -55.18 -38.93 68.97 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.058 -0.519 . . . . 20.0 110.966 174.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -74.96 -46.61 34.29 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-N 116.201 -0.454 . . . . 20.0 111.53 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -62.08 -23.28 66.41 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 122.41 -0.181 . . . . 20.0 111.42 -172.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -22.1 60.42 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-N 116.772 -0.194 . . . . 20.0 111.08 174.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 28.6 mt -78.09 -20.57 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 122.523 0.329 . . . . 20.0 111.085 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -96.61 -43.83 7.41 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.686 0.279 . . . . 20.0 111.007 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 81.6 p -79.53 -34.38 41.17 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.399 -0.364 . . . . 20.0 111.3 -176.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 58.6 m95 51.03 36.32 14.97 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 121.2 0.524 . . . . 20.0 110.8 -172.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -68.4 -29.78 68.54 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 115.826 -0.625 . . . . 20.0 111.22 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -127.57 131.68 49.95 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 116.39 -0.368 . . . . 20.0 110.444 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -98.15 143.28 28.84 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.194 -0.457 . . . . 20.0 110.701 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -124.09 79.88 58.43 Favored Pre-proline 0 CA--C 1.549 0.918 0 CA-C-N 116.067 -0.515 . . . . 20.0 110.135 172.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -79.33 154.11 24.55 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.849 2.366 . . . . 20.0 112.645 -174.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 46.9 t -92.64 143.15 26.6 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 115.814 -0.63 . . . . 20.0 110.684 177.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -76.81 -35.01 57.88 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 120.924 0.392 . . . . 20.0 110.749 176.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -80.77 -27.71 36.65 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 115.739 -0.664 . . . . 20.0 111.62 -170.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 18.8 p -141.78 162.47 35.41 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 120.692 0.282 . . . . 20.0 110.706 176.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -79.8 31.68 0.25 Allowed 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 120.736 0.303 . . . . 20.0 111.596 -174.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -92.83 152.98 19.13 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 120.766 0.317 . . . . 20.0 110.979 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 10.9 t -129.27 135.47 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 CA-C-N 115.956 -0.566 . . . . 20.0 110.611 173.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -105.65 153.6 39.8 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 116.116 -0.493 . . . . 20.0 110.745 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -85.41 -4.55 9.34 Favored 'Trans proline' 0 CA--C 1.552 1.392 0 C-N-CA 122.961 2.441 . . . . 20.0 112.623 175.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.7 mp -130.82 143.65 50.89 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.703 0.401 . . . . 20.0 110.155 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -70.82 -42.45 70.23 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 120.588 0.232 . . . . 20.0 111.189 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.3 -34.56 76.83 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.58 0.229 . . . . 20.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -63.95 -37.95 89.29 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.719 -0.219 . . . . 20.0 110.535 175.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -51.31 70.47 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.952 0.406 . . . . 20.0 110.082 173.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 54.1 m -61.54 -56.04 24.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.833 -0.621 . . . . 20.0 111.193 -174.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -59.71 -36.88 77.44 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 116.799 -0.182 . . . . 20.0 110.91 -178.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -65.69 -46.86 77.44 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 120.708 0.29 . . . . 20.0 111.019 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -67.41 -30.38 70.13 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-O 120.62 0.248 . . . . 20.0 111.021 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 33.3 mt -63.35 -43.39 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 110.023 -0.362 . . . . 20.0 110.023 169.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -64.49 -31.13 72.21 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 116.289 -0.414 . . . . 20.0 111.087 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -68.88 -22.15 64.2 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 116.63 -0.259 . . . . 20.0 111.135 175.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 22.8 m -99.34 -30.94 11.93 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 116.489 -0.323 . . . . 20.0 111.101 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 83.81 17.06 66.45 Favored Glycine 0 CA--C 1.541 1.685 0 C-N-CA 121.528 -0.367 . . . . 20.0 112.378 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -58.5 123.11 15.11 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.881 0.372 . . . . 20.0 110.806 -176.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 44.4 mmt-85 -88.73 116.6 27.11 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.258 -0.428 . . . . 20.0 110.232 174.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -113.24 -32.35 6.32 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 116.101 -0.5 . . . . 20.0 111.194 -173.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -93.53 90.02 6.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.994 0.426 . . . . 20.0 110.414 -176.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -87.42 130.98 34.46 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.811 -177.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 45.9 t -76.14 154.0 35.78 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 116.295 -0.411 . . . . 20.0 110.078 171.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 83.8 mt -115.02 -20.03 10.66 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.528 -0.306 . . . . 20.0 111.298 -176.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.21 -50.1 17.27 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-O 120.522 0.201 . . . . 20.0 111.074 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 29.4 p -120.1 -9.56 9.57 Favored 'General case' 0 CA--C 1.564 1.502 0 N-CA-C 111.845 0.313 . . . . 20.0 111.845 -177.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 96.57 -12.76 66.07 Favored Glycine 0 CA--C 1.557 2.675 0 C-N-CA 121.148 -0.549 . . . . 20.0 113.499 171.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -56.11 127.84 32.58 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-N 117.189 0.494 . . . . 20.0 111.326 -176.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 68.6 m -104.69 142.77 34.1 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 120.78 0.324 . . . . 20.0 111.291 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -130.25 163.25 27.16 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.057 0.456 . . . . 20.0 111.428 -174.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 2.6 tt -82.89 -24.1 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 CA-C-N 115.98 -0.555 . . . . 20.0 111.794 -172.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 55.7 p30 -153.9 173.0 16.51 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-O 121.128 0.489 . . . . 20.0 111.507 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -62.91 -40.29 97.14 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.741 -0.663 . . . . 20.0 111.206 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -57.32 -45.47 84.2 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.356 -0.384 . . . . 20.0 111.022 -174.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -69.97 -45.36 67.55 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.611 -0.268 . . . . 20.0 110.963 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -57.46 -50.97 71.3 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-O 120.577 0.227 . . . . 20.0 111.186 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 48.0 t -64.38 -43.99 92.74 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.674 -0.239 . . . . 20.0 110.777 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 34.1 t -57.72 -46.13 84.83 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.629 0.252 . . . . 20.0 110.806 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -61.34 -46.41 90.37 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.479 -0.328 . . . . 20.0 111.201 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 47.8 mt -62.64 -40.92 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-N 116.877 -0.147 . . . . 20.0 110.728 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -66.14 -44.05 85.27 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 120.51 0.195 . . . . 20.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 68.5 m -75.63 -36.58 60.19 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.649 -0.251 . . . . 20.0 111.638 -174.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 77.6 t -96.92 -50.11 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 N-CA-C 111.487 0.18 . . . . 20.0 111.487 -171.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 . . . . . 0 CA--C 1.557 1.236 0 CA-C-N 116.607 -0.269 . . . . 20.0 111.604 -173.933 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 48.1 mt . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 120.474 0.178 . . . . 20.0 111.355 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -143.09 155.28 44.57 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.943 0.402 . . . . 20.0 111.001 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -134.73 129.21 34.34 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.964 -0.562 . . . . 20.0 110.153 178.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.5 tt -97.36 107.89 20.5 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.426 -0.352 . . . . 20.0 110.481 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -79.95 157.36 73.95 Favored Pre-proline 0 CA--C 1.552 1.02 0 CA-C-N 116.334 -0.394 . . . . 20.0 110.906 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -59.5 151.73 66.86 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.477 2.118 . . . . 20.0 112.045 177.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 47.3 t -75.95 117.05 17.27 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.68 0.276 . . . . 20.0 110.39 174.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -102.39 -28.94 11.93 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.036 -0.529 . . . . 20.0 111.336 -174.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 27.0 p -64.75 -28.12 69.36 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 111.782 0.29 . . . . 20.0 111.782 -173.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.4 pp -149.8 166.39 29.6 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 120.95 0.405 . . . . 20.0 111.256 -176.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.34 122.43 31.85 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.044 -0.525 . . . . 20.0 111.397 -172.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 29.0 pt -142.45 172.1 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-N 115.7 -0.682 . . . . 20.0 109.94 173.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -68.91 133.65 48.51 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.81 -0.441 . . . . 20.0 109.81 169.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -109.03 97.1 6.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.002 0.43 . . . . 20.0 110.38 -175.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -53.66 149.17 8.61 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.748 -0.66 . . . . 20.0 110.826 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -60.05 -19.38 52.57 Favored 'General case' 0 CA--C 1.557 1.222 0 N-CA-C 112.175 0.435 . . . . 20.0 112.175 -174.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -76.86 -20.4 56.34 Favored 'General case' 0 CA--C 1.555 1.153 0 O-C-N 122.326 -0.233 . . . . 20.0 111.031 176.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.547 0.841 0 CA-C-O 120.799 0.333 . . . . 20.0 110.514 169.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.678 0.275 . . . . 20.0 111.193 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -162.0 178.36 8.92 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.007 0.432 . . . . 20.0 111.415 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -137.99 159.12 42.87 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.419 -0.809 . . . . 20.0 109.704 169.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -98.44 136.31 38.76 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.843 0.354 . . . . 20.0 110.893 -175.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.9 tp -136.55 115.3 12.1 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.007 -0.542 . . . . 20.0 110.33 177.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 23.8 mt -86.22 124.47 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.886 0.374 . . . . 20.0 110.635 -178.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 49.2 t -136.17 125.17 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 115.829 -0.623 . . . . 20.0 110.126 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 36.1 t0 49.77 41.0 21.56 Favored 'General case' 0 CA--C 1.564 1.49 0 CA-C-O 121.067 0.461 . . . . 20.0 111.086 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.15 -22.63 14.15 Favored Glycine 0 CA--C 1.547 2.08 0 CA-C-N 116.216 -0.447 . . . . 20.0 113.004 176.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 57.2 mtt85 -88.23 136.36 33.02 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 116.905 0.352 . . . . 20.0 110.961 -176.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 92.0 t -80.8 117.22 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.131 171.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -96.87 150.0 21.23 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.285 172.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -114.3 117.96 32.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 20.0 110.052 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.8 mt -112.63 128.29 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-N 116.396 -0.366 . . . . 20.0 111.037 -170.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.5 t -64.36 135.15 55.88 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 116.235 -0.439 . . . . 20.0 110.787 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 12.8 pt -67.96 -40.81 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 N-CA-C 111.693 0.257 . . . . 20.0 111.693 -175.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.76 -63.54 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 N-CA-C 111.831 0.308 . . . . 20.0 111.831 -175.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 30.3 p -105.13 -2.74 23.89 Favored 'General case' 0 CA--C 1.563 1.45 0 CA-C-N 116.044 -0.525 . . . . 20.0 112.382 -169.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 58.04 40.65 25.18 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 122.616 0.367 . . . . 20.0 111.782 -177.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -82.41 130.86 35.2 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 116.366 -0.379 . . . . 20.0 110.182 169.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 37.1 p -95.42 152.23 18.58 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 120.941 0.4 . . . . 20.0 111.407 -176.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . 0.566 ' HH ' ' CG ' ' A' ' 512' ' ' HIS . 77.4 m-85 -142.68 144.52 32.77 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.742 -0.663 . . . . 20.0 111.13 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 92.5 t -79.27 -21.91 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 116.09 -0.504 . . . . 20.0 110.835 174.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 83.6 m -132.11 136.26 47.01 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.43 -0.35 . . . . 20.0 110.959 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 13.5 mt -56.25 -33.08 65.09 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-N 116.39 -0.368 . . . . 20.0 110.828 175.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 82.2 p -55.2 -40.71 71.08 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 116.491 -0.322 . . . . 20.0 110.926 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 6.2 m -70.53 -38.06 74.18 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.32 -0.4 . . . . 20.0 110.792 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.46 -47.25 82.58 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 116.416 -0.356 . . . . 20.0 110.842 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -47.0 84.88 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 120.679 0.276 . . . . 20.0 110.628 176.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -54.63 -46.92 73.99 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 116.13 -0.487 . . . . 20.0 110.907 175.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . 0.566 ' CG ' ' HH ' ' A' ' 503' ' ' TYR . 16.2 t60 -70.91 -46.51 62.39 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.266 -0.425 . . . . 20.0 111.399 -176.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -61.95 -23.56 66.45 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.664 -0.244 . . . . 20.0 111.059 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -20.54 49.17 Favored 'General case' 0 CA--C 1.566 1.586 0 CA-C-N 116.596 -0.274 . . . . 20.0 111.215 174.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 25.6 mt -81.89 -18.75 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 122.493 0.317 . . . . 20.0 111.164 178.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -98.63 -46.46 5.7 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 120.748 0.309 . . . . 20.0 110.686 177.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 84.5 p -76.89 -34.64 57.74 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.201 -0.454 . . . . 20.0 111.365 -176.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 65.4 m95 53.03 37.58 25.08 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.365 0.603 . . . . 20.0 110.033 -169.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -60.29 -37.12 79.52 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.433 -0.803 . . . . 20.0 110.951 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -134.5 122.6 22.66 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 116.231 -0.441 . . . . 20.0 110.612 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -89.99 149.62 22.48 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.522 -0.308 . . . . 20.0 110.732 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -127.76 79.94 72.78 Favored Pre-proline 0 CA--C 1.551 1.019 0 CA-C-N 116.145 -0.479 . . . . 20.0 110.685 177.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -69.82 150.43 67.84 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.84 2.36 . . . . 20.0 112.607 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 44.0 t -90.91 144.45 25.67 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 115.958 -0.564 . . . . 20.0 110.487 174.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -77.93 -39.99 41.07 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 120.79 0.329 . . . . 20.0 110.978 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -80.27 -20.91 43.35 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-N 115.988 -0.551 . . . . 20.0 111.897 -169.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.5 p -145.06 163.92 32.78 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 120.787 0.327 . . . . 20.0 110.693 174.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -80.78 29.63 0.32 Allowed 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 120.751 0.31 . . . . 20.0 111.756 -174.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -88.17 149.25 23.99 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 116.536 -0.302 . . . . 20.0 110.953 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 27.0 t -125.77 133.88 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-N 116.233 -0.439 . . . . 20.0 110.49 172.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -103.31 151.26 38.55 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-N 116.186 -0.461 . . . . 20.0 110.692 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -84.86 -2.97 9.77 Favored 'Trans proline' 0 CA--C 1.554 1.516 0 C-N-CA 122.902 2.401 . . . . 20.0 112.345 173.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 7.0 mp -131.63 135.64 47.1 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.872 0.469 . . . . 20.0 110.126 177.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.6 -42.26 87.16 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 120.542 0.211 . . . . 20.0 111.2 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -62.28 -35.35 78.74 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 116.568 -0.287 . . . . 20.0 110.981 -179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -66.39 -35.9 81.49 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.577 -0.283 . . . . 20.0 110.751 176.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -50.42 73.95 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.541 -0.3 . . . . 20.0 110.264 172.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 6.0 m -59.56 -53.57 56.55 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.324 -0.398 . . . . 20.0 110.724 -176.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -56.23 -40.05 73.5 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 116.593 -0.276 . . . . 20.0 110.979 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -67.15 -44.76 78.97 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-O 120.655 0.264 . . . . 20.0 111.198 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -69.39 -29.56 67.35 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-O 120.505 0.193 . . . . 20.0 111.085 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 36.7 mt -64.39 -30.83 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-O 120.715 0.293 . . . . 20.0 110.493 170.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -76.38 -28.57 56.79 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.343 -0.389 . . . . 20.0 111.126 177.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -74.3 -43.38 56.99 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 120.76 0.314 . . . . 20.0 110.781 174.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 23.6 p -83.13 -16.03 48.39 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 116.189 -0.459 . . . . 20.0 111.29 -176.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 72.59 17.01 77.73 Favored Glycine 0 CA--C 1.544 1.862 0 C-N-CA 121.543 -0.36 . . . . 20.0 112.749 175.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -58.84 124.29 19.33 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 120.906 0.384 . . . . 20.0 111.07 -175.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -100.2 80.08 2.23 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.203 -0.453 . . . . 20.0 110.689 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -76.77 -29.96 56.32 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-N 116.231 -0.441 . . . . 20.0 111.53 -174.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -94.02 100.01 12.21 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.825 0.345 . . . . 20.0 110.678 -172.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -101.37 132.65 46.84 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.328 -0.396 . . . . 20.0 111.122 -174.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 49.5 t -70.33 149.75 47.04 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.046 -0.525 . . . . 20.0 110.237 169.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 91.8 mt -105.92 -16.58 14.6 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 120.543 0.211 . . . . 20.0 111.35 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.1 -48.6 23.02 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 116.77 -0.195 . . . . 20.0 111.05 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 28.1 p -120.07 -2.84 10.16 Favored 'General case' 0 CA--C 1.561 1.403 0 N-CA-C 111.871 0.323 . . . . 20.0 111.871 -176.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 81.28 -3.43 77.44 Favored Glycine 0 CA--C 1.556 2.611 0 C-N-CA 121.019 -0.61 . . . . 20.0 113.594 172.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -68.89 141.71 54.97 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 117.424 0.612 . . . . 20.0 111.051 -176.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 17.0 m -109.28 138.64 45.33 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 116.3 -0.409 . . . . 20.0 111.14 -175.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -124.04 157.21 35.02 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 116.027 -0.533 . . . . 20.0 110.953 -175.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.6 tt -73.87 -26.04 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 116.038 -0.528 . . . . 20.0 111.63 -171.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 38.6 p30 -156.21 169.78 23.75 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-O 121.132 0.492 . . . . 20.0 111.171 -176.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -60.8 -35.7 77.16 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.871 -0.604 . . . . 20.0 111.288 -177.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -65.49 -45.72 82.51 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.557 -0.292 . . . . 20.0 110.992 -174.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -64.88 -44.38 89.85 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.597 -0.274 . . . . 20.0 110.617 176.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 33.7 ttp -56.93 -48.38 78.44 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.493 -0.321 . . . . 20.0 110.923 178.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 39.8 t -62.34 -46.93 86.48 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.477 -0.329 . . . . 20.0 110.772 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 17.7 t -59.4 -41.12 88.67 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.483 -0.326 . . . . 20.0 110.824 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -63.83 -48.06 78.3 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.338 -0.392 . . . . 20.0 111.027 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.94 -38.18 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 120.646 0.26 . . . . 20.0 110.677 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -68.01 -45.51 73.83 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.432 -0.349 . . . . 20.0 111.032 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 25.0 p -76.59 -35.06 58.36 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 111.934 0.346 . . . . 20.0 111.934 -173.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 72.9 t -96.2 -47.18 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 N-CA-C 111.427 0.158 . . . . 20.0 111.427 -172.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 . . . . . 0 CA--C 1.551 0.987 0 CA-C-N 116.664 -0.244 . . . . 20.0 111.534 -173.107 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.642 0.258 . . . . 20.0 111.328 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -152.68 165.22 35.97 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.004 0.43 . . . . 20.0 111.451 -173.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -140.36 133.55 29.62 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.845 -0.616 . . . . 20.0 110.398 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -98.58 107.28 19.7 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 116.452 -0.34 . . . . 20.0 110.522 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -79.92 160.54 68.64 Favored Pre-proline 0 CA--C 1.553 1.079 0 CA-C-N 116.165 -0.471 . . . . 20.0 110.909 -178.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -60.04 149.31 85.22 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 122.626 2.217 . . . . 20.0 112.384 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 18.2 t -84.52 112.37 20.34 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.245 -0.434 . . . . 20.0 110.372 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 52.1 mmm-85 -105.51 -34.83 7.66 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 116.517 -0.31 . . . . 20.0 111.27 -172.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 32.3 m -67.87 -23.19 65.1 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 115.915 -0.584 . . . . 20.0 111.807 -170.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 3.4 mt -102.02 175.09 5.65 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.169 0.509 . . . . 20.0 111.478 -178.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -108.55 98.07 7.64 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.317 -0.856 . . . . 20.0 109.733 169.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 17.8 pt -140.67 171.74 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 116.261 -0.427 . . . . 20.0 110.607 -175.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -75.57 140.93 42.98 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 110.137 -0.32 . . . . 20.0 110.137 171.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -112.64 97.98 6.94 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.951 0.405 . . . . 20.0 110.881 -170.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -55.13 137.77 45.99 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.055 -0.52 . . . . 20.0 110.768 178.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -67.9 -15.59 63.69 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 112.045 0.387 . . . . 20.0 112.045 -171.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -76.53 -16.47 59.62 Favored 'General case' 0 CA--C 1.554 1.126 0 O-C-N 122.453 -0.154 . . . . 20.0 111.293 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.2 mm? . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 120.587 0.232 . . . . 20.0 110.592 171.193 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 CA--C 1.555 1.17 0 CA-C-O 120.676 0.274 . . . . 20.0 111.467 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -153.81 168.78 25.18 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.83 0.347 . . . . 20.0 110.914 177.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -133.55 156.48 47.72 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.95 -0.568 . . . . 20.0 110.067 169.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -109.21 126.67 53.54 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.015 0.436 . . . . 20.0 110.84 -174.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.4 tp -121.05 113.8 20.57 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.742 -0.663 . . . . 20.0 110.184 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 24.8 mt -85.04 122.7 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 120.88 0.371 . . . . 20.0 110.494 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 46.1 t -134.92 125.31 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 115.867 -0.606 . . . . 20.0 110.137 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 37.1 t0 50.07 39.01 18.2 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 121.012 0.434 . . . . 20.0 111.073 -178.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.27 -17.28 43.89 Favored Glycine 0 CA--C 1.55 2.254 0 CA-C-N 116.27 -0.423 . . . . 20.0 113.014 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -92.1 135.21 34.16 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 116.956 0.378 . . . . 20.0 111.124 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 70.4 t -80.04 122.47 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 116.377 -0.374 . . . . 20.0 110.153 172.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -109.23 114.75 28.71 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.44 -0.346 . . . . 20.0 110.567 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -79.83 124.18 28.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.331 -0.395 . . . . 20.0 110.17 177.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.0 mt -118.64 131.69 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-O 120.837 0.351 . . . . 20.0 110.87 -172.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 5.5 t -67.39 135.57 53.39 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.04 -0.527 . . . . 20.0 110.617 176.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 42.7 pt -68.31 -39.55 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 N-CA-C 111.549 0.203 . . . . 20.0 111.549 -176.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 44.9 t -60.91 -64.27 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 111.96 0.355 . . . . 20.0 111.96 -176.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 31.5 p -104.98 -6.29 20.2 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 112.459 0.54 . . . . 20.0 112.459 -169.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 60.51 38.44 19.03 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 122.643 0.377 . . . . 20.0 111.881 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -80.98 129.41 34.52 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 110.012 -0.366 . . . . 20.0 110.012 169.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 30.9 p -93.65 144.43 25.4 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 120.942 0.401 . . . . 20.0 111.372 -175.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -135.89 135.7 39.91 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.739 -0.664 . . . . 20.0 110.819 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 50.7 t -72.98 -18.35 18.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 116.062 -0.517 . . . . 20.0 110.966 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 86.4 m -127.92 164.92 21.23 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 120.931 0.396 . . . . 20.0 110.88 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 10.4 mt -82.13 -33.05 29.81 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.189 -0.46 . . . . 20.0 110.618 172.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 40.7 p -60.04 -40.09 88.19 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 116.624 -0.262 . . . . 20.0 111.232 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 2.6 p -70.47 -36.74 74.06 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.604 -0.271 . . . . 20.0 111.043 177.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 2.8 tp -64.67 -47.2 79.3 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 116.75 -0.204 . . . . 20.0 110.838 175.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -54.91 -49.99 69.89 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 120.745 0.307 . . . . 20.0 110.551 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -55.0 -47.47 74.62 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 115.924 -0.58 . . . . 20.0 110.842 175.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -66.58 -45.59 78.76 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.175 -0.466 . . . . 20.0 111.51 -174.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -61.14 -23.79 65.8 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 120.497 0.189 . . . . 20.0 111.353 -173.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -24.93 63.62 Favored 'General case' 0 CA--C 1.563 1.444 0 CA-C-N 116.808 -0.178 . . . . 20.0 111.089 175.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 32.3 mt -75.13 -21.29 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 122.443 0.297 . . . . 20.0 111.144 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -95.89 -42.0 8.52 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.686 0.279 . . . . 20.0 111.042 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 95.7 p -73.95 -37.34 64.58 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.509 -0.314 . . . . 20.0 111.289 -176.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 70.4 m95 50.27 30.84 4.69 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.181 0.515 . . . . 20.0 110.513 -169.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.06 -33.21 70.03 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.875 -0.602 . . . . 20.0 110.657 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -126.31 116.82 21.82 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.055 -0.521 . . . . 20.0 110.393 177.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -93.86 147.06 23.43 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.353 -0.385 . . . . 20.0 110.754 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -122.68 80.01 48.2 Favored Pre-proline 0 CA--C 1.547 0.843 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.271 176.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -76.02 136.28 18.21 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.787 2.325 . . . . 20.0 112.449 -177.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.83 142.16 57.43 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.881 -0.599 . . . . 20.0 110.664 176.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -76.94 -33.16 57.71 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 116.686 -0.234 . . . . 20.0 111.172 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -87.98 -19.93 26.55 Favored 'General case' 0 CA--C 1.56 1.36 0 N-CA-C 112.073 0.397 . . . . 20.0 112.073 -172.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.1 p -144.75 170.25 16.47 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-O 120.833 0.349 . . . . 20.0 110.905 177.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -80.46 3.38 21.64 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 111.941 0.348 . . . . 20.0 111.941 -173.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -68.17 142.35 55.74 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 120.772 0.32 . . . . 20.0 111.013 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 15.9 t -120.82 134.65 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-N 116.137 -0.483 . . . . 20.0 110.679 175.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -106.02 150.28 39.1 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.02 -0.536 . . . . 20.0 110.609 177.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -84.15 -5.43 10.36 Favored 'Trans proline' 0 CA--C 1.55 1.313 0 C-N-CA 122.848 2.365 . . . . 20.0 112.57 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 9.5 mp -130.95 143.75 50.96 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.77 0.428 . . . . 20.0 110.092 177.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.07 -46.31 78.17 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 120.672 0.272 . . . . 20.0 111.054 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.03 -36.44 79.56 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 116.615 -0.266 . . . . 20.0 111.128 -177.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -64.38 -39.06 93.13 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.431 0.158 . . . . 20.0 110.718 177.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -49.54 71.96 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.609 -0.268 . . . . 20.0 110.327 173.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 36.3 m -52.83 -56.15 17.87 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.494 -0.321 . . . . 20.0 110.845 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -61.73 -33.3 73.81 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.745 -0.207 . . . . 20.0 111.044 -177.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -70.56 -40.4 73.37 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 120.635 0.255 . . . . 20.0 110.851 177.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -67.19 -32.47 73.57 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 122.335 -0.228 . . . . 20.0 110.671 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 38.8 mt -65.45 -25.05 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 CA-C-O 120.725 0.298 . . . . 20.0 110.69 171.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -74.97 -26.26 59.46 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.376 -0.375 . . . . 20.0 110.976 173.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -79.15 -42.28 26.56 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 120.536 0.207 . . . . 20.0 110.98 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 67.9 p -72.09 -35.34 69.18 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 120.599 0.237 . . . . 20.0 110.792 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 88.33 11.32 66.96 Favored Glycine 0 CA--C 1.54 1.616 0 CA-C-N 116.398 -0.365 . . . . 20.0 112.442 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . 0.412 ' CD ' ' HG ' ' A' ' 589' ' ' CYS . 12.2 tt0 -65.37 132.69 49.64 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 120.853 0.359 . . . . 20.0 110.976 -178.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -87.13 143.21 27.4 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.894 0.378 . . . . 20.0 110.675 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.25 -53.98 2.57 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 116.042 -0.526 . . . . 20.0 110.898 -177.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -105.06 124.3 49.29 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.179 -0.464 . . . . 20.0 110.97 -175.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -102.08 131.04 48.78 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.334 -0.394 . . . . 20.0 110.462 174.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 43.7 t -68.92 144.41 54.19 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.292 -0.413 . . . . 20.0 110.047 172.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 86.5 mt -102.67 -16.31 16.07 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 120.525 0.203 . . . . 20.0 111.364 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.23 -49.14 20.31 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-N 116.695 -0.23 . . . . 20.0 111.15 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 31.0 p -120.07 -5.24 10.02 Favored 'General case' 0 CA--C 1.563 1.45 0 N-CA-C 111.968 0.358 . . . . 20.0 111.968 -175.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 84.8 -2.87 87.87 Favored Glycine 0 CA--C 1.557 2.703 0 C-N-CA 121.099 -0.572 . . . . 20.0 113.557 173.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -72.4 137.4 46.49 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 117.296 0.548 . . . . 20.0 111.026 -177.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 50.4 m -109.71 147.33 33.34 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 120.893 0.378 . . . . 20.0 111.328 -175.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -129.7 161.16 31.27 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 116.115 -0.493 . . . . 20.0 111.133 -174.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -82.81 -24.6 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 116.32 -0.4 . . . . 20.0 111.869 -170.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -153.47 173.35 15.8 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 121.136 0.493 . . . . 20.0 111.403 -176.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -66.42 -35.64 80.82 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.754 -0.657 . . . . 20.0 111.172 -174.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -62.18 -43.83 97.96 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 116.409 -0.36 . . . . 20.0 110.786 -177.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -67.93 -49.44 61.84 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.535 -0.302 . . . . 20.0 111.176 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -40.62 97.84 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.539 0.209 . . . . 20.0 110.75 -176.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 39.7 t -64.22 -47.77 78.4 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.595 -0.275 . . . . 20.0 110.789 177.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 24.4 t -59.83 -40.74 89.51 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.469 -0.332 . . . . 20.0 111.048 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -64.97 -48.11 75.21 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 116.468 -0.333 . . . . 20.0 111.278 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.52 -36.24 77.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-O 120.611 0.244 . . . . 20.0 110.619 -177.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -67.3 -47.28 71.07 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.56 -0.291 . . . . 20.0 110.981 176.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 39.1 m -72.52 -37.61 68.3 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 111.798 0.295 . . . . 20.0 111.798 -174.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 71.4 t -97.99 -47.17 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 N-CA-C 111.513 0.19 . . . . 20.0 111.513 -170.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 . . . . . 0 CA--C 1.553 1.084 0 CA-C-N 116.693 -0.23 . . . . 20.0 111.469 -173.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.874 0.369 . . . . 20.0 110.901 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -145.88 161.23 40.49 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 120.918 0.389 . . . . 20.0 110.858 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -136.27 138.71 42.05 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.947 -0.57 . . . . 20.0 110.499 177.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 tt -94.51 128.19 40.93 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 116.356 -0.384 . . . . 20.0 110.719 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -107.1 151.68 40.81 Favored Pre-proline 0 N--CA 1.487 1.378 0 CA-C-N 116.537 -0.301 . . . . 20.0 110.874 178.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -66.18 152.15 81.87 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 122.701 2.268 . . . . 20.0 112.705 -176.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 589' ' ' CYS . . . . . 0.412 ' HG ' ' CD ' ' A' ' 547' ' ' GLU . 50.6 t -95.46 129.8 42.5 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.119 -0.491 . . . . 20.0 110.673 178.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.52 -12.5 2.69 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 116.206 -0.452 . . . . 20.0 111.913 -174.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 47.0 p -69.63 -26.09 64.25 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 111.478 0.177 . . . . 20.0 111.478 -176.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.0 pp -142.9 164.42 30.13 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 120.885 0.374 . . . . 20.0 110.753 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -83.63 109.89 17.81 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 116.158 -0.474 . . . . 20.0 111.528 -170.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 19.4 pt -145.65 167.3 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 CA-C-N 115.721 -0.672 . . . . 20.0 109.869 170.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -72.52 140.34 48.11 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 110.082 -0.34 . . . . 20.0 110.082 175.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -125.36 115.76 20.83 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.089 0.471 . . . . 20.0 110.727 -177.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -69.89 161.87 29.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.65 -0.705 . . . . 20.0 111.254 -176.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -67.4 -10.1 48.04 Favored 'General case' 0 CA--C 1.561 1.388 0 CA-C-N 116.203 -0.453 . . . . 20.0 111.886 -177.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -86.18 -24.06 26.28 Favored 'General case' 0 CA--C 1.556 1.183 0 O-C-N 122.41 -0.181 . . . . 20.0 110.861 174.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.877 0.37 . . . . 20.0 110.143 169.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 22.4 p30 . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 111.559 0.207 . . . . 20.0 111.559 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 53.4 p-80 -161.21 176.04 11.69 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.078 0.466 . . . . 20.0 111.659 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -136.65 158.49 44.31 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.368 -0.833 . . . . 20.0 109.564 169.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 54.2 mp0 -101.81 134.1 45.52 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.922 0.391 . . . . 20.0 110.91 -175.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 14.4 tp -134.31 117.83 16.84 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.889 -0.596 . . . . 20.0 110.331 -178.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 32.7 mt -88.12 122.74 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-O 120.87 0.367 . . . . 20.0 110.468 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 40.3 t -136.96 128.94 43.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 115.83 -0.623 . . . . 20.0 110.111 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 53.12 35.95 21.08 Favored 'General case' 0 CA--C 1.565 1.528 0 CA-C-O 120.969 0.414 . . . . 20.0 111.171 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.76 2.11 87.87 Favored Glycine 0 CA--C 1.549 2.163 0 CA-C-N 116.391 -0.368 . . . . 20.0 112.929 177.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -110.3 136.71 49.07 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.485 0.314 . . . . 20.0 110.71 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 97.0 t -80.03 120.88 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-O 120.742 0.306 . . . . 20.0 110.219 174.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -103.74 150.33 24.16 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.281 173.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -114.95 118.69 34.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.172 -0.467 . . . . 20.0 109.991 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.4 mt -112.78 126.63 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-O 120.795 0.331 . . . . 20.0 110.962 -170.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.1 t -64.22 135.13 55.99 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.172 -0.467 . . . . 20.0 110.589 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 29.0 pt -69.86 -37.42 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-N 116.551 -0.295 . . . . 20.0 111.71 -175.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.83 -64.75 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 CA-C-O 120.708 0.289 . . . . 20.0 111.751 -176.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 27.7 p -105.16 -3.1 23.4 Favored 'General case' 0 CA--C 1.559 1.303 0 CA-C-N 116.012 -0.54 . . . . 20.0 112.339 -169.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt 57.84 41.16 25.25 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 122.602 0.361 . . . . 20.0 111.689 -175.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -81.48 131.09 35.27 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 116.215 -0.448 . . . . 20.0 110.194 169.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 28.4 p -93.22 145.23 24.58 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 120.951 0.405 . . . . 20.0 111.238 -177.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -137.86 143.03 40.73 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.793 -0.639 . . . . 20.0 110.956 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 85.5 t -84.71 -15.07 11.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 CA-C-N 115.892 -0.595 . . . . 20.0 110.939 177.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 96.5 m -136.35 134.25 37.67 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.798 0.332 . . . . 20.0 110.915 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.5 -41.27 93.95 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.238 -0.437 . . . . 20.0 111.257 -178.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 15.7 p -58.81 -33.83 70.81 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 120.602 0.239 . . . . 20.0 110.986 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 3.8 t -71.11 -40.63 71.37 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.438 -0.346 . . . . 20.0 110.796 176.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 1.4 tp -63.44 -44.97 92.98 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.259 -0.428 . . . . 20.0 110.929 175.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 47.7 mmm-85 -61.82 -43.93 97.86 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 120.666 0.27 . . . . 20.0 110.54 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -52.38 -43.96 65.02 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.082 -0.508 . . . . 20.0 110.653 172.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -73.2 -42.25 62.89 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 116.194 -0.457 . . . . 20.0 111.428 -177.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -63.11 -26.95 69.06 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 120.506 0.193 . . . . 20.0 111.321 -174.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -16.38 58.58 Favored 'General case' 0 CA--C 1.567 1.633 0 CA-C-N 116.753 -0.203 . . . . 20.0 111.174 176.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 33.7 mt -80.19 -21.03 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 122.426 0.291 . . . . 20.0 110.962 176.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -93.0 -42.21 9.57 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.653 0.263 . . . . 20.0 110.889 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 92.8 p -80.18 -32.97 38.65 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.24 -0.436 . . . . 20.0 111.36 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 69.8 m95 50.74 34.6 10.3 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 121.211 0.529 . . . . 20.0 110.404 -169.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -60.52 -36.43 78.37 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.7 -0.682 . . . . 20.0 111.089 178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -137.21 123.82 21.01 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.176 -0.465 . . . . 20.0 110.387 -177.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -95.66 146.39 24.53 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 116.145 -0.48 . . . . 20.0 110.735 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -120.8 79.87 32.24 Favored Pre-proline 0 CA--C 1.547 0.837 0 CA-C-N 116.074 -0.512 . . . . 20.0 110.293 174.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.79 141.49 21.71 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.766 2.311 . . . . 20.0 112.552 -176.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 49.2 t -72.69 142.29 48.23 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.762 -0.654 . . . . 20.0 110.46 173.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -80.56 -31.97 36.73 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-O 120.561 0.22 . . . . 20.0 111.006 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -84.36 -21.19 30.98 Favored 'General case' 0 CA--C 1.558 1.252 0 CA-C-N 116.371 -0.377 . . . . 20.0 111.837 -172.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.1 p -145.1 170.0 17.05 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.757 0.313 . . . . 20.0 110.772 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.32 7.84 8.73 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 112.026 0.38 . . . . 20.0 112.026 -173.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -71.61 144.28 49.52 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-O 120.715 0.293 . . . . 20.0 111.116 -177.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 17.7 t -125.33 137.96 55.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-N 116.185 -0.462 . . . . 20.0 110.725 176.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -112.51 149.21 40.74 Favored Pre-proline 0 CA--C 1.543 0.685 0 CA-C-N 116.044 -0.525 . . . . 20.0 110.771 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -84.74 -4.62 9.9 Favored 'Trans proline' 0 CA--C 1.557 1.635 0 C-N-CA 122.981 2.454 . . . . 20.0 112.595 174.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.2 mp -127.54 145.01 51.0 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.719 0.408 . . . . 20.0 110.131 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -73.14 -35.56 66.52 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-O 120.478 0.18 . . . . 20.0 111.222 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -60.35 -39.22 86.34 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.844 0.354 . . . . 20.0 110.556 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -69.55 -31.56 69.84 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.278 -0.419 . . . . 20.0 110.728 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.04 -61.3 2.71 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.877 0.37 . . . . 20.0 110.176 170.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 39.9 m -57.74 -51.03 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.889 -0.596 . . . . 20.0 111.079 -172.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -64.45 -35.56 81.31 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 116.657 -0.247 . . . . 20.0 111.03 -174.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -69.72 -41.82 74.83 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-O 120.653 0.264 . . . . 20.0 110.892 176.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -67.3 -32.55 73.61 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 122.419 -0.176 . . . . 20.0 110.91 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 24.9 mt -64.0 -29.39 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-O 120.837 0.351 . . . . 20.0 110.701 171.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -26.72 61.79 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 116.341 -0.39 . . . . 20.0 110.902 176.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -79.3 -42.41 25.83 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-O 120.536 0.208 . . . . 20.0 111.072 175.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 80.8 p -75.65 -20.61 58.36 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 120.521 0.2 . . . . 20.0 111.206 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 77.44 12.19 84.77 Favored Glycine 0 CA--C 1.542 1.734 0 C-N-CA 121.536 -0.364 . . . . 20.0 112.443 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -60.93 119.81 8.97 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 120.949 0.404 . . . . 20.0 111.261 -174.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -74.65 146.73 42.15 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.197 -0.456 . . . . 20.0 110.442 173.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 -125.84 -53.98 1.53 Allowed 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 116.19 -0.459 . . . . 20.0 111.112 -177.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -100.33 117.27 34.18 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.662 -173.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -105.26 132.11 51.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.381 -0.372 . . . . 20.0 110.662 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 42.5 t -69.41 144.84 53.25 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.25 -0.432 . . . . 20.0 110.01 172.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 92.3 mt -102.14 -15.99 16.52 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 120.536 0.208 . . . . 20.0 111.334 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.08 -48.88 21.67 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.622 -0.263 . . . . 20.0 111.123 177.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 31.9 p -120.11 -4.03 10.06 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 111.957 0.354 . . . . 20.0 111.957 -175.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 83.42 -0.59 89.58 Favored Glycine 0 CA--C 1.557 2.702 0 C-N-CA 121.085 -0.579 . . . . 20.0 113.598 172.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -70.72 137.18 49.5 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 117.304 0.552 . . . . 20.0 111.089 -176.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 51.1 m -105.16 147.78 27.59 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 116.337 -0.392 . . . . 20.0 111.156 -177.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -132.62 157.49 44.65 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.033 -0.531 . . . . 20.0 110.886 -177.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.8 tt -78.57 -25.05 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 CA-C-N 116.289 -0.414 . . . . 20.0 111.593 -174.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 34.1 p30 -151.64 170.97 18.39 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-O 120.967 0.413 . . . . 20.0 111.041 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -67.82 -36.08 79.75 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.118 -0.492 . . . . 20.0 111.108 -175.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -59.48 -46.92 87.42 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.611 -0.268 . . . . 20.0 111.076 -175.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -64.03 -46.33 84.91 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.645 -0.252 . . . . 20.0 110.869 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -60.02 -46.6 88.96 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.584 -0.28 . . . . 20.0 110.818 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 25.0 t -58.65 -49.14 78.61 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.496 -0.32 . . . . 20.0 110.851 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 22.2 t -59.55 -42.51 92.54 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.403 -0.362 . . . . 20.0 111.018 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -62.84 -50.29 71.52 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.517 -0.31 . . . . 20.0 111.226 -178.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 19.9 mt -66.84 -35.29 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-O 120.486 0.184 . . . . 20.0 110.655 -176.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -67.5 -44.42 78.52 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.729 -0.214 . . . . 20.0 111.004 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 23.6 t -74.77 -39.33 61.85 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.649 -0.251 . . . . 20.0 111.575 -175.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 72.3 t -93.03 -48.26 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 N-CA-C 111.517 0.192 . . . . 20.0 111.517 -170.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 . . . . . 0 CA--C 1.551 1.017 0 CA-C-N 116.651 -0.249 . . . . 20.0 111.489 -172.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 120.543 0.211 . . . . 20.0 111.538 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -148.01 166.75 26.8 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 120.937 0.398 . . . . 20.0 111.138 -178.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -142.1 137.74 31.2 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.96 -0.564 . . . . 20.0 110.604 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.89 123.75 38.54 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 116.406 -0.361 . . . . 20.0 110.565 -178.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -100.88 153.99 37.41 Favored Pre-proline 0 N--CA 1.481 1.122 0 CA-C-N 116.551 -0.295 . . . . 20.0 110.897 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -60.94 144.11 99.5 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 122.589 2.193 . . . . 20.0 112.584 -177.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -91.09 124.54 35.39 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.151 -0.477 . . . . 20.0 110.157 173.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -129.5 -8.97 4.62 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 111.862 0.319 . . . . 20.0 111.862 -173.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 90.9 p -66.4 -23.62 66.34 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 120.531 0.205 . . . . 20.0 111.25 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -141.64 167.08 23.0 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.441 -0.345 . . . . 20.0 110.405 173.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -93.43 89.85 6.49 Favored 'General case' 0 CA--C 1.558 1.253 0 CA-C-O 120.955 0.407 . . . . 20.0 111.974 -169.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 33.8 pt -105.17 171.89 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 CA-C-N 115.962 -0.563 . . . . 20.0 110.442 169.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -74.03 139.08 44.48 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.933 -0.395 . . . . 20.0 109.933 169.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -109.19 97.77 7.32 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.952 0.406 . . . . 20.0 110.888 -170.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -59.36 143.43 49.56 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.619 178.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -68.3 -9.96 51.33 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 116.341 -0.39 . . . . 20.0 111.629 -175.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -74.53 -17.2 60.78 Favored 'General case' 0 CA--C 1.56 1.356 0 O-C-N 122.396 -0.19 . . . . 20.0 111.073 174.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.858 0.361 . . . . 20.0 110.224 169.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 50.7 p-10 . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.656 0.265 . . . . 20.0 111.275 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -159.42 175.99 12.65 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.06 0.457 . . . . 20.0 111.45 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -134.76 155.19 51.02 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.366 -0.834 . . . . 20.0 109.491 169.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -98.5 134.08 41.97 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.879 0.371 . . . . 20.0 110.836 -175.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 14.3 tp -133.33 115.76 15.29 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.988 -0.551 . . . . 20.0 110.34 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 34.6 mt -87.48 122.29 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-O 120.95 0.405 . . . . 20.0 110.434 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 44.0 t -136.49 128.26 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-N 115.829 -0.623 . . . . 20.0 110.204 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.1 t0 53.04 36.38 21.99 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 120.901 0.382 . . . . 20.0 111.213 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 80.19 0.34 85.9 Favored Glycine 0 CA--C 1.55 2.272 0 C-N-CA 121.547 -0.359 . . . . 20.0 112.95 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -107.79 136.33 47.7 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.491 0.316 . . . . 20.0 110.646 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 95.3 t -80.0 122.54 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-O 120.701 0.286 . . . . 20.0 110.231 173.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -106.38 152.12 24.0 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.239 -0.437 . . . . 20.0 110.193 172.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -117.08 119.17 34.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 20.0 110.018 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.1 mt -112.13 124.68 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 116.477 -0.328 . . . . 20.0 110.808 -171.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.6 t -63.56 137.2 58.03 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.283 -0.417 . . . . 20.0 110.564 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 29.4 pt -69.51 -38.86 77.71 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 CA-C-N 116.644 -0.253 . . . . 20.0 111.642 -176.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.01 -65.48 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 111.857 0.318 . . . . 20.0 111.857 -177.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 26.7 p -105.09 -4.59 21.73 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 116.05 -0.523 . . . . 20.0 112.374 -169.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt 59.28 38.07 23.36 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.56 0.344 . . . . 20.0 111.902 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -79.71 129.09 34.17 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 109.889 -0.412 . . . . 20.0 109.889 169.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 21.7 p -91.28 140.45 29.78 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 116.36 -0.382 . . . . 20.0 111.122 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -132.93 141.53 48.4 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.998 -0.546 . . . . 20.0 110.9 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 72.0 t -79.34 -19.28 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 116.166 -0.47 . . . . 20.0 110.898 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 85.1 m -132.67 136.42 46.44 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.729 0.299 . . . . 20.0 111.155 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.13 -34.92 74.19 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.348 -0.387 . . . . 20.0 110.835 176.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 36.0 p -55.22 -38.66 68.73 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 116.755 -0.202 . . . . 20.0 111.011 178.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 14.7 m -67.83 -41.2 83.36 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.496 -0.32 . . . . 20.0 110.898 177.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.63 -49.19 77.57 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.441 -0.345 . . . . 20.0 110.986 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -46.69 88.77 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.594 0.235 . . . . 20.0 110.584 -178.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -54.36 -46.22 72.92 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 116.187 -0.461 . . . . 20.0 110.777 173.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -70.72 -42.19 70.9 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 116.233 -0.44 . . . . 20.0 111.415 -173.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -59.7 -23.66 63.32 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 116.732 -0.213 . . . . 20.0 111.492 -172.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -58.79 -31.36 68.34 Favored 'General case' 0 CA--C 1.56 1.348 0 CA-C-O 120.583 0.23 . . . . 20.0 111.013 175.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 26.4 mt -65.22 -18.92 24.7 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.376 0 CA-C-O 120.597 0.236 . . . . 20.0 111.055 178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -101.11 -45.84 5.26 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 120.611 0.243 . . . . 20.0 111.163 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 92.5 p -78.98 -35.03 43.64 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.487 -0.324 . . . . 20.0 111.538 -173.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 69.4 m95 52.11 36.52 19.2 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-O 121.109 0.48 . . . . 20.0 110.997 -173.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -66.15 -34.66 78.54 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.899 -0.591 . . . . 20.0 111.413 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -131.58 135.01 46.64 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.326 -0.397 . . . . 20.0 110.398 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -95.09 143.04 26.86 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 116.333 -0.394 . . . . 20.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -124.67 79.89 62.41 Favored Pre-proline 0 CA--C 1.554 1.105 0 CA-C-N 116.073 -0.512 . . . . 20.0 110.32 173.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 523' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 530' ' ' VAL . 80.3 Cg_endo -78.27 159.62 29.62 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.884 2.389 . . . . 20.0 112.769 -176.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 49.9 t -88.51 143.75 26.77 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.835 -0.62 . . . . 20.0 110.598 174.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -73.28 -40.07 64.86 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-O 120.677 0.275 . . . . 20.0 111.337 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -88.36 -13.64 40.14 Favored 'General case' 0 CA--C 1.557 1.246 0 N-CA-C 112.336 0.495 . . . . 20.0 112.336 -169.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.2 p -145.02 173.66 11.7 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 120.902 0.382 . . . . 20.0 111.031 176.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -87.89 7.16 32.11 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 112.16 0.43 . . . . 20.0 112.16 -170.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -69.34 146.62 52.02 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 120.853 0.359 . . . . 20.0 111.254 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . 0.408 ' HA ' ' HA ' ' A' ' 523' ' ' PRO . 12.2 t -122.98 128.46 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 115.755 -0.657 . . . . 20.0 110.169 169.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -105.73 150.54 39.25 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-N 116.121 -0.49 . . . . 20.0 110.517 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.98 -2.04 11.56 Favored 'Trans proline' 0 CA--C 1.556 1.593 0 C-N-CA 122.8 2.333 . . . . 20.0 112.636 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.4 mp -135.24 142.46 45.98 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.442 -0.345 . . . . 20.0 110.227 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -69.63 -44.2 71.13 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.666 0.269 . . . . 20.0 110.931 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -58.59 -33.24 69.76 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 116.583 -0.28 . . . . 20.0 111.064 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -66.83 -45.11 79.26 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.585 -0.28 . . . . 20.0 111.248 -178.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.62 -26.29 61.62 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 120.988 -0.285 . . . . 20.0 110.799 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 4.2 m -65.37 -58.35 6.11 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.595 0.236 . . . . 20.0 110.557 175.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -63.3 -29.64 70.92 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 116.715 -0.221 . . . . 20.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -69.33 -42.61 75.12 Favored 'General case' 0 CA--C 1.555 1.162 0 CA-C-O 120.62 0.248 . . . . 20.0 110.919 174.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -67.63 -31.51 71.57 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.869 -0.15 . . . . 20.0 111.037 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 28.1 mt -61.72 -29.49 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 CA-C-O 120.725 0.298 . . . . 20.0 110.405 171.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -75.43 -25.11 57.24 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 116.336 -0.393 . . . . 20.0 111.144 175.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -79.48 -42.14 25.92 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 116.779 -0.191 . . . . 20.0 110.962 175.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 82.6 p -73.35 -32.72 64.69 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 120.668 0.271 . . . . 20.0 110.989 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 86.8 11.34 70.87 Favored Glycine 0 CA--C 1.54 1.612 0 CA-C-N 116.424 -0.353 . . . . 20.0 112.386 -178.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -58.08 107.25 0.45 Allowed 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 120.816 0.341 . . . . 20.0 111.25 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -81.98 128.39 34.03 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 116.369 -0.378 . . . . 20.0 110.094 173.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -130.22 -32.97 1.75 Allowed 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 116.137 -0.483 . . . . 20.0 111.899 -169.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -91.72 98.55 11.69 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.765 0.317 . . . . 20.0 110.393 -177.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -97.18 128.32 43.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.385 -0.371 . . . . 20.0 110.867 -176.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 48.0 t -68.05 144.86 54.92 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.161 -0.472 . . . . 20.0 110.073 171.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 86.0 mt -101.37 -16.43 16.89 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 116.7 -0.227 . . . . 20.0 111.252 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.09 -47.91 26.43 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 116.681 -0.236 . . . . 20.0 111.132 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.8 p -119.99 -3.15 10.17 Favored 'General case' 0 CA--C 1.563 1.453 0 N-CA-C 112.07 0.396 . . . . 20.0 112.07 -175.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 80.19 0.09 85.24 Favored Glycine 0 CA--C 1.557 2.676 0 C-N-CA 121.088 -0.577 . . . . 20.0 113.568 173.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -72.62 140.08 47.77 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 117.347 0.574 . . . . 20.0 110.967 -177.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 15.3 m -103.77 147.13 27.63 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 116.39 -0.368 . . . . 20.0 111.215 -176.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -132.12 159.73 38.05 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.928 -0.578 . . . . 20.0 110.737 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 15.5 tt -84.44 -24.14 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 CA-C-N 116.242 -0.435 . . . . 20.0 111.883 -170.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.9 p30 -151.33 172.63 15.59 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-O 120.944 0.402 . . . . 20.0 110.902 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -64.35 -41.66 96.63 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.069 -0.514 . . . . 20.0 111.139 -176.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.7 mp0 -59.14 -45.42 91.0 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 116.602 -0.272 . . . . 20.0 111.138 -173.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -65.13 -44.26 89.25 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.663 -0.244 . . . . 20.0 110.835 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -59.69 -46.9 87.67 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 120.682 0.277 . . . . 20.0 110.87 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 29.2 t -60.6 -47.16 87.46 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.47 -0.332 . . . . 20.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 24.6 t -58.44 -42.34 87.12 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.462 -0.335 . . . . 20.0 110.904 177.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -63.53 -50.78 68.19 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.363 -0.38 . . . . 20.0 111.128 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 20.6 mt -65.75 -35.9 76.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-O 120.587 0.232 . . . . 20.0 110.75 -176.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -68.24 -45.39 73.36 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 116.656 -0.247 . . . . 20.0 111.176 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 35.4 p -78.18 -33.62 50.05 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 111.791 0.293 . . . . 20.0 111.791 -174.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 69.9 t -95.13 -49.15 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 CA-C-O 120.497 0.189 . . . . 20.0 111.44 -173.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 . . . . . 0 CA--C 1.551 1.018 0 CA-C-N 116.709 -0.223 . . . . 20.0 111.558 -173.195 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 111.641 0.237 . . . . 20.0 111.641 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -145.99 158.72 43.86 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 121.049 0.452 . . . . 20.0 111.469 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -138.32 138.39 38.3 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 115.671 -0.695 . . . . 20.0 110.326 177.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.5 tt -100.37 124.35 45.76 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 116.496 -0.32 . . . . 20.0 110.655 -177.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -98.24 151.18 37.39 Favored Pre-proline 0 CA--C 1.555 1.14 0 CA-C-N 116.358 -0.383 . . . . 20.0 110.698 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -63.92 157.73 51.05 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 122.464 2.109 . . . . 20.0 112.594 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 42.0 t -101.44 136.31 41.49 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.502 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.11 -11.52 1.47 Allowed 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 116.4 -0.364 . . . . 20.0 111.599 -177.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 18.8 p -68.44 -25.56 65.07 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 111.676 0.25 . . . . 20.0 111.676 -177.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.4 pp -137.71 168.87 18.81 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-O 120.803 0.335 . . . . 20.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -89.18 105.47 17.81 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 116.169 -0.468 . . . . 20.0 111.463 -170.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 26.0 pt -146.05 170.68 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 CA-C-N 115.763 -0.653 . . . . 20.0 109.954 170.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -70.87 174.67 5.82 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.681 -0.488 . . . . 20.0 109.681 169.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -150.04 151.81 33.84 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 120.841 0.353 . . . . 20.0 110.645 176.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -96.5 145.83 25.34 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.962 -0.563 . . . . 20.0 110.645 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.59 -9.94 40.47 Favored 'General case' 0 CA--C 1.556 1.184 0 CA-C-N 116.492 -0.322 . . . . 20.0 111.729 -177.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -77.74 -12.54 59.98 Favored 'General case' 0 CA--C 1.56 1.333 0 O-C-N 122.441 -0.162 . . . . 20.0 111.274 175.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.3 mm? . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.704 0.288 . . . . 20.0 110.589 169.676 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 13.8 p30 . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.624 0.249 . . . . 20.0 111.595 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -161.83 176.56 10.74 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.91 0.386 . . . . 20.0 111.412 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -139.28 160.92 38.69 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.781 -0.645 . . . . 20.0 110.3 171.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -100.19 136.38 40.18 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 120.876 0.369 . . . . 20.0 110.826 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.2 tp -134.73 117.39 15.95 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.067 -0.515 . . . . 20.0 110.29 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 29.4 mt -88.05 123.04 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 120.905 0.384 . . . . 20.0 110.57 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 39.3 t -138.38 129.58 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 115.857 -0.611 . . . . 20.0 110.165 -178.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.75 36.38 21.03 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-O 120.945 0.402 . . . . 20.0 111.217 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 78.81 5.01 88.6 Favored Glycine 0 CA--C 1.55 2.258 0 C-N-CA 121.505 -0.378 . . . . 20.0 112.958 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 23.8 mtt180 -113.51 136.85 52.35 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.516 0.326 . . . . 20.0 110.709 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 98.6 t -80.75 119.61 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 110.256 -0.276 . . . . 20.0 110.256 174.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -101.04 149.82 23.54 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.249 -0.432 . . . . 20.0 110.3 173.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -113.99 117.09 30.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 20.0 110.004 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.1 mt -114.0 129.46 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-O 120.946 0.403 . . . . 20.0 111.026 -169.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.9 t -66.72 137.97 57.06 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.092 -0.504 . . . . 20.0 110.65 176.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 37.8 pt -70.0 -39.62 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 111.733 0.271 . . . . 20.0 111.733 -176.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.98 -63.84 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 N-CA-C 111.916 0.339 . . . . 20.0 111.916 -176.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 27.1 p -105.09 -5.0 21.22 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.495 0.554 . . . . 20.0 112.495 -169.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 58.2 38.09 26.24 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 122.531 0.332 . . . . 20.0 111.759 -177.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -78.7 132.76 37.12 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 109.975 -0.38 . . . . 20.0 109.975 169.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 32.0 p -96.07 134.3 39.28 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 120.805 0.336 . . . . 20.0 111.194 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -126.22 142.1 51.66 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.777 -0.647 . . . . 20.0 110.977 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 75.5 t -84.7 -16.18 10.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.798 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 96.6 m -132.19 132.25 42.97 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.522 -0.308 . . . . 20.0 110.855 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 20.7 mt -60.5 -37.51 81.33 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 116.398 -0.365 . . . . 20.0 111.114 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 23.6 p -53.91 -44.07 70.24 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 120.642 0.258 . . . . 20.0 111.081 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 29.4 m -69.74 -33.43 72.45 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.608 -0.269 . . . . 20.0 111.081 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 4.0 tp -64.38 -46.75 81.97 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 116.703 -0.226 . . . . 20.0 111.019 176.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -58.14 -48.64 79.63 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 120.884 0.374 . . . . 20.0 110.146 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -55.91 -43.1 77.0 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 115.751 -0.659 . . . . 20.0 111.061 176.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -67.27 -45.29 77.06 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 116.439 -0.346 . . . . 20.0 111.288 -177.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -59.51 -23.02 62.46 Favored 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 111.598 0.222 . . . . 20.0 111.598 -174.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.05 -26.77 60.9 Favored 'General case' 0 CA--C 1.567 1.62 0 C-N-CA 122.336 0.254 . . . . 20.0 111.34 175.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 42.6 mt -74.18 -20.85 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 122.369 0.268 . . . . 20.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -94.24 -42.62 8.85 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.638 0.256 . . . . 20.0 110.994 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 87.2 p -72.82 -36.16 67.47 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.497 -0.319 . . . . 20.0 111.28 -177.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 64.3 m95 50.57 32.2 6.49 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-O 121.195 0.522 . . . . 20.0 110.512 -169.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -70.7 -30.82 67.48 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.964 -0.562 . . . . 20.0 110.65 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -138.43 108.66 6.44 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 116.144 -0.48 . . . . 20.0 110.562 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . 0.437 ' HB2' ' CG1' ' A' ' 530' ' ' VAL . 13.4 ptpt -94.64 163.53 13.34 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.809 0.338 . . . . 20.0 110.702 174.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -127.88 81.85 69.52 Favored Pre-proline 0 CA--C 1.55 0.98 0 CA-C-N 116.021 -0.536 . . . . 20.0 110.71 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -67.3 130.97 23.72 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.666 2.244 . . . . 20.0 112.248 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 51.1 t -65.07 144.27 57.37 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 116.265 -0.425 . . . . 20.0 110.805 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -75.59 -40.04 57.11 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 120.772 0.32 . . . . 20.0 110.846 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -84.65 -21.11 30.37 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 115.926 -0.579 . . . . 20.0 112.077 -169.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.7 p -141.8 169.2 18.05 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 120.814 0.34 . . . . 20.0 110.787 174.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -86.26 9.44 17.72 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 112.603 0.594 . . . . 20.0 112.603 -169.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -81.34 159.19 24.47 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 120.94 0.4 . . . . 20.0 111.259 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . 0.437 ' CG1' ' HB2' ' A' ' 521' ' ' LYS . 39.9 t -123.54 140.26 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 115.933 -0.576 . . . . 20.0 111.034 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -110.84 145.77 33.05 Favored Pre-proline 0 CA--C 1.545 0.786 0 CA-C-N 115.967 -0.56 . . . . 20.0 110.63 173.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -85.53 -7.45 8.72 Favored 'Trans proline' 0 CA--C 1.55 1.312 0 C-N-CA 122.826 2.351 . . . . 20.0 112.783 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 5.5 mp -130.25 146.03 51.82 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.355 -0.384 . . . . 20.0 110.109 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -65.32 -42.34 93.06 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.638 -0.255 . . . . 20.0 111.362 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -68.7 -34.75 76.18 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 122.398 -0.188 . . . . 20.0 110.955 -177.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -64.35 -34.84 79.08 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 110.395 -0.224 . . . . 20.0 110.395 174.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -61.85 2.26 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 116.39 -0.368 . . . . 20.0 110.449 171.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 25.5 m -49.32 -54.28 17.87 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 115.921 -0.581 . . . . 20.0 111.184 -177.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -65.26 -31.04 71.98 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 116.38 -0.373 . . . . 20.0 110.98 -170.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -71.48 -42.21 68.36 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 116.663 -0.244 . . . . 20.0 111.036 172.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -68.91 -26.6 65.17 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 122.332 -0.23 . . . . 20.0 111.074 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 34.7 mt -66.72 -30.73 50.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-O 120.65 0.262 . . . . 20.0 110.428 169.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -73.45 -25.27 60.42 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 116.416 -0.356 . . . . 20.0 111.061 175.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -80.56 -44.57 18.8 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-O 120.621 0.248 . . . . 20.0 110.983 175.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 19.4 p -81.3 -23.95 37.53 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 116.463 -0.335 . . . . 20.0 111.497 -174.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 83.92 8.39 84.24 Favored Glycine 0 CA--C 1.544 1.869 0 C-N-CA 121.545 -0.36 . . . . 20.0 112.823 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -53.72 115.35 1.94 Allowed 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 120.906 0.384 . . . . 20.0 111.062 -177.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 56.5 mmt-85 -82.95 88.44 6.83 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.339 -0.391 . . . . 20.0 110.668 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 52.9 mmm-85 -72.34 -43.77 63.59 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 116.238 -0.437 . . . . 20.0 111.254 -177.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -106.4 115.86 30.94 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.403 -0.362 . . . . 20.0 110.889 -171.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -108.57 135.18 50.26 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.48 -0.327 . . . . 20.0 110.707 178.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 34.2 t -71.75 152.61 42.6 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.432 -0.349 . . . . 20.0 110.264 174.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 93.8 mt -113.93 -18.28 11.8 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.632 -0.258 . . . . 20.0 111.361 -178.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.11 -46.47 34.32 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 120.499 0.19 . . . . 20.0 110.943 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.0 p -119.96 -2.1 10.33 Favored 'General case' 0 CA--C 1.562 1.407 0 N-CA-C 111.774 0.287 . . . . 20.0 111.774 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 82.47 -7.07 65.96 Favored Glycine 0 CA--C 1.554 2.493 0 C-N-CA 121.25 -0.5 . . . . 20.0 113.433 172.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -65.01 137.89 58.01 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 117.135 0.467 . . . . 20.0 111.163 -175.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 20.1 m -98.87 137.24 37.72 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.186 -0.461 . . . . 20.0 111.174 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -122.7 158.88 29.11 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 116.074 -0.512 . . . . 20.0 110.928 -178.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 15.8 tt -89.26 -25.61 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.228 0 CA-C-N 116.13 -0.487 . . . . 20.0 111.839 -170.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 41.9 p30 -151.26 170.63 19.02 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 120.917 0.389 . . . . 20.0 111.243 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -66.72 -35.3 79.79 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 116.137 -0.483 . . . . 20.0 111.297 -175.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -61.95 -46.95 87.05 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 120.699 0.285 . . . . 20.0 110.978 -175.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -68.56 -43.36 76.78 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.491 -0.322 . . . . 20.0 110.823 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 16.6 ttp -58.14 -49.22 77.74 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 120.675 0.274 . . . . 20.0 111.077 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 47.6 t -60.85 -46.66 89.71 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.614 -0.266 . . . . 20.0 110.819 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 22.9 t -58.73 -42.03 87.83 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.425 -0.352 . . . . 20.0 110.896 177.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -63.77 -48.85 75.27 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.426 -0.352 . . . . 20.0 111.089 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.98 -44.06 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-O 120.561 0.22 . . . . 20.0 110.658 -178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.36 -38.76 85.3 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.517 -0.311 . . . . 20.0 111.185 -178.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 22.8 t -79.73 -38.99 32.11 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 111.632 0.234 . . . . 20.0 111.632 -176.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 75.2 t -94.45 -46.43 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 CA-C-N 116.748 -0.206 . . . . 20.0 111.489 -170.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 . . . . . 0 CA--C 1.55 0.949 0 CA-C-N 116.638 -0.255 . . . . 20.0 111.361 -174.382 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 111.556 0.206 . . . . 20.0 111.556 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -146.53 156.46 43.27 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 121.02 0.438 . . . . 20.0 111.43 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -126.44 134.92 50.85 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.619 -0.719 . . . . 20.0 110.099 175.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 tt -96.21 122.68 39.32 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 116.389 -0.368 . . . . 20.0 110.407 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -96.29 155.74 37.72 Favored Pre-proline 0 CA--C 1.553 1.076 0 CA-C-N 116.28 -0.418 . . . . 20.0 110.674 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -66.11 152.61 80.8 Favored 'Trans proline' 0 CA--C 1.547 1.137 0 C-N-CA 122.47 2.113 . . . . 20.0 112.129 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 12.3 t -88.98 122.89 32.78 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.627 -0.26 . . . . 20.0 110.834 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -117.26 -29.72 5.8 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 116.296 -0.411 . . . . 20.0 111.585 -172.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 50.1 m -71.2 -27.01 63.19 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 112.289 0.477 . . . . 20.0 112.289 -169.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.3 pp -140.81 168.08 20.66 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 120.878 0.37 . . . . 20.0 111.265 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -91.38 111.73 23.35 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 116.02 -0.536 . . . . 20.0 111.56 -170.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 25.9 pt -143.98 169.88 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 CA-C-N 115.658 -0.701 . . . . 20.0 109.893 169.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 5.2 ptt-85 -69.38 171.87 7.99 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.75 -0.463 . . . . 20.0 109.75 170.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -148.29 152.47 37.18 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 120.981 0.419 . . . . 20.0 110.965 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 597' ' ' TYR . . . . . 0.469 ' H ' HD23 ' A' ' 600' ' ' LEU . 89.2 m-85 -103.67 152.13 22.15 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.707 -0.679 . . . . 20.0 110.647 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.19 -9.98 37.1 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 116.527 -0.306 . . . . 20.0 111.788 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -78.21 -17.26 56.99 Favored 'General case' 0 CA--C 1.56 1.36 0 O-C-N 122.37 -0.206 . . . . 20.0 111.045 174.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 600' ' ' LEU . . . . . 0.469 HD23 ' H ' ' A' ' 597' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 109.922 -0.399 . . . . 20.0 109.922 169.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.823 0 CA-C-O 120.85 0.357 . . . . 20.0 110.763 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -134.31 155.53 50.06 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.147 -0.479 . . . . 20.0 110.711 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -83.11 106.94 15.32 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 116.287 -0.415 . . . . 20.0 110.666 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.26 151.33 27.69 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 116.057 -0.519 . . . . 20.0 111.065 -178.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 26.2 mmt -137.6 144.77 42.15 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.966 -0.561 . . . . 20.0 110.626 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -119.17 68.51 0.8 Allowed 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 116.243 -0.435 . . . . 20.0 110.311 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 34.9 m -135.11 153.63 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 116.047 -0.524 . . . . 20.0 111.266 -173.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -93.4 169.57 10.27 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.894 -0.594 . . . . 20.0 110.504 172.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -136.54 165.38 25.98 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 120.84 0.352 . . . . 20.0 110.836 -178.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -81.95 50.44 1.55 Allowed 'General case' 0 CA--C 1.556 1.198 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.685 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -96.54 4.42 52.05 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 116.223 -0.444 . . . . 20.0 110.871 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 -161.06 176.41 11.38 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 116.376 -0.375 . . . . 20.0 110.731 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -138.64 157.97 45.13 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.169 -0.468 . . . . 20.0 110.574 171.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -99.55 141.52 32.24 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.325 -0.398 . . . . 20.0 110.795 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 22.1 tp -137.37 113.82 10.19 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.078 -0.51 . . . . 20.0 110.334 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 27.9 mt -84.86 122.81 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 120.868 0.366 . . . . 20.0 110.515 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 48.2 t -134.66 123.98 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 115.936 -0.574 . . . . 20.0 110.113 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 38.4 t0 50.48 40.27 22.84 Favored 'General case' 0 CA--C 1.564 1.498 0 CA-C-O 121.066 0.46 . . . . 20.0 111.068 -177.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.31 -26.61 6.86 Favored Glycine 0 CA--C 1.547 2.052 0 CA-C-N 116.184 -0.462 . . . . 20.0 112.848 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 59.2 mtm-85 -80.34 132.6 35.82 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 120.638 0.256 . . . . 20.0 111.045 -177.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 84.8 t -80.01 117.86 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 116.462 -0.336 . . . . 20.0 110.103 170.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.0 m-30 -100.9 155.14 18.12 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.334 -0.394 . . . . 20.0 110.225 173.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -118.54 127.26 53.45 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.132 -0.485 . . . . 20.0 110.021 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.6 mt -121.01 130.45 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-O 120.915 0.388 . . . . 20.0 111.116 -169.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 5.9 t -67.06 138.45 57.16 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.982 -0.554 . . . . 20.0 110.584 175.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 26.2 pt -70.28 -39.37 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 111.646 0.239 . . . . 20.0 111.646 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.85 -63.82 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 111.954 0.353 . . . . 20.0 111.954 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.3 p -105.07 -4.53 21.83 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.386 0.513 . . . . 20.0 112.386 -169.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 57.2 35.39 26.13 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 122.654 0.382 . . . . 20.0 111.856 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -76.8 131.57 38.74 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.932 -0.395 . . . . 20.0 109.932 169.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 32.9 p -93.1 146.12 23.89 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.978 0.418 . . . . 20.0 111.132 -177.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -138.5 140.82 39.31 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.782 -0.644 . . . . 20.0 110.931 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 74.1 t -80.3 -16.84 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 115.96 -0.564 . . . . 20.0 111.125 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 73.2 m -134.73 136.0 42.36 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 116.488 -0.323 . . . . 20.0 111.07 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 21.7 mt -61.31 -38.94 88.64 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 116.341 -0.391 . . . . 20.0 110.857 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 7.5 p -52.32 -45.49 65.62 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-O 120.886 0.374 . . . . 20.0 110.873 176.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 3.7 t -64.98 -40.16 94.57 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.188 -0.46 . . . . 20.0 110.97 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 4.9 tp -62.81 -46.12 89.44 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 116.279 -0.418 . . . . 20.0 111.127 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -59.66 -46.58 88.6 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 120.801 0.334 . . . . 20.0 110.311 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -54.79 -42.79 72.19 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.883 -0.598 . . . . 20.0 111.056 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -69.6 -43.99 71.67 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 116.33 -0.395 . . . . 20.0 111.401 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -59.4 -22.83 61.99 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 111.667 0.247 . . . . 20.0 111.667 -173.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -22.24 64.27 Favored 'General case' 0 CA--C 1.568 1.66 0 C-N-CA 122.105 0.162 . . . . 20.0 111.237 177.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 49.4 mt -74.85 -19.37 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 122.301 0.24 . . . . 20.0 111.06 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -98.75 -42.67 7.1 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.583 0.23 . . . . 20.0 111.078 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 87.9 p -72.23 -36.94 69.25 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.514 -0.312 . . . . 20.0 111.305 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 61.4 m95 51.23 31.24 6.62 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.269 0.556 . . . . 20.0 110.298 -169.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.11 -33.3 75.17 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.724 -0.671 . . . . 20.0 110.674 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -127.77 116.19 19.83 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.081 -0.509 . . . . 20.0 110.419 177.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -88.79 146.34 25.06 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.158 -0.474 . . . . 20.0 110.505 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -121.75 80.0 40.3 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-N 116.114 -0.494 . . . . 20.0 110.423 176.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -75.82 146.72 30.12 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.759 2.306 . . . . 20.0 112.416 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 14.2 t -71.84 170.35 13.86 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-N 115.919 -0.582 . . . . 20.0 110.782 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.16 -40.22 7.29 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 116.387 -0.369 . . . . 20.0 110.754 175.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -85.72 -17.96 34.45 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.968 -0.56 . . . . 20.0 111.536 -172.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 18.1 p -141.96 170.28 16.02 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-O 120.838 0.352 . . . . 20.0 110.811 175.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -84.99 7.58 20.8 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 116.371 -0.377 . . . . 20.0 111.8 -174.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -66.77 149.49 50.48 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 120.695 0.283 . . . . 20.0 111.07 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 14.9 t -127.16 138.31 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 CA-C-N 116.25 -0.432 . . . . 20.0 110.814 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -111.62 152.5 44.1 Favored Pre-proline 0 CA--C 1.546 0.79 0 CA-C-N 115.937 -0.574 . . . . 20.0 110.652 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -84.69 -7.39 9.6 Favored 'Trans proline' 0 CA--C 1.553 1.432 0 C-N-CA 122.849 2.366 . . . . 20.0 112.736 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.2 mp -132.19 144.43 50.66 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.528 0.331 . . . . 20.0 110.223 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.01 88.31 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 116.499 -0.319 . . . . 20.0 110.989 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -65.67 -37.06 85.44 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 116.686 -0.233 . . . . 20.0 111.04 -176.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -60.62 -41.89 95.75 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.617 0.246 . . . . 20.0 110.561 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -61.48 -52.31 65.03 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.389 -0.369 . . . . 20.0 110.448 174.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 52.6 m -54.06 -49.74 68.32 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 116.38 -0.373 . . . . 20.0 110.942 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -61.89 -37.82 86.03 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 116.726 -0.216 . . . . 20.0 111.263 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -65.81 -41.52 91.76 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-O 120.732 0.301 . . . . 20.0 110.785 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.77 -29.65 68.08 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.695 -0.229 . . . . 20.0 111.279 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 28.4 mt -65.11 -29.39 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-O 120.567 0.222 . . . . 20.0 110.538 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -78.91 -26.55 43.74 Favored 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 116.42 -0.355 . . . . 20.0 111.225 175.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -73.53 -41.33 63.14 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 120.754 0.312 . . . . 20.0 110.762 174.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 16.4 p -80.92 -40.78 24.02 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 116.305 -0.407 . . . . 20.0 111.157 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 96.5 16.13 38.15 Favored Glycine 0 CA--C 1.544 1.857 0 C-N-CA 121.498 -0.382 . . . . 20.0 112.748 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.7 115.21 2.03 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 116.892 0.346 . . . . 20.0 111.078 -177.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 48.0 mmt-85 -83.85 80.01 9.29 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.065 0.46 . . . . 20.0 110.495 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 39.5 mtp85 -71.33 -36.45 71.56 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 115.864 -0.607 . . . . 20.0 111.698 -173.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -101.19 110.7 22.75 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.533 -0.303 . . . . 20.0 111.053 -169.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -105.09 130.87 53.18 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 120.816 0.341 . . . . 20.0 110.796 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 45.6 t -69.82 151.11 46.13 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.175 -0.466 . . . . 20.0 110.137 171.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 78.2 mt -106.91 -17.72 14.12 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.69 -0.232 . . . . 20.0 111.39 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.16 -48.2 24.77 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 116.744 -0.207 . . . . 20.0 111.093 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.1 p -120.0 -3.03 10.17 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 111.954 0.353 . . . . 20.0 111.954 -176.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 80.04 -1.42 79.88 Favored Glycine 0 CA--C 1.556 2.625 0 C-N-CA 121.041 -0.599 . . . . 20.0 113.485 172.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -68.49 140.49 55.69 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 117.223 0.511 . . . . 20.0 111.069 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 16.1 m -106.09 143.48 34.16 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 116.242 -0.435 . . . . 20.0 111.197 -176.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -132.93 159.25 40.48 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 116.002 -0.544 . . . . 20.0 110.747 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 7.0 tt -84.7 -25.34 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 116.199 -0.455 . . . . 20.0 111.915 -171.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 37.2 p30 -152.76 171.34 18.39 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 121.055 0.455 . . . . 20.0 111.327 -177.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -66.34 -36.53 83.15 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.949 -0.569 . . . . 20.0 111.26 -176.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.3 mp0 -61.29 -47.98 83.48 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 120.586 0.232 . . . . 20.0 111.183 -174.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -67.26 -40.72 86.27 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 116.686 -0.234 . . . . 20.0 110.788 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 32.8 ttp -59.47 -49.67 76.9 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 116.604 -0.271 . . . . 20.0 111.043 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 40.0 t -59.73 -46.82 87.96 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 116.65 -0.25 . . . . 20.0 110.835 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 32.6 t -57.24 -44.96 84.29 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 116.433 -0.349 . . . . 20.0 110.938 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -62.36 -48.11 81.22 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.442 -0.345 . . . . 20.0 111.294 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.25 -34.16 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 120.586 0.231 . . . . 20.0 110.669 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -71.63 -45.6 61.6 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.557 -0.292 . . . . 20.0 111.127 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 95.4 p -77.09 -33.16 57.06 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 111.787 0.291 . . . . 20.0 111.787 -173.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 70.9 t -96.14 -49.61 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 CA-C-O 120.507 0.194 . . . . 20.0 111.441 -173.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -100.08 -9.91 22.09 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 116.602 -0.272 . . . . 20.0 111.664 -172.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 22.4 m 55.28 36.85 27.93 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 120.841 0.353 . . . . 20.0 111.098 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -120.15 161.48 20.97 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.244 -0.434 . . . . 20.0 111.04 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -107.15 114.87 60.8 Favored Pre-proline 0 CA--C 1.554 1.1 0 CA-C-N 116.024 -0.534 . . . . 20.0 110.533 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -68.76 -20.21 40.18 Favored 'Trans proline' 0 CA--C 1.55 1.315 0 C-N-CA 122.477 2.118 . . . . 20.0 112.633 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 8.5 t -85.04 -1.53 56.94 Favored 'General case' 0 CA--C 1.556 1.186 0 CA-C-O 120.719 0.295 . . . . 20.0 110.953 174.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -77.46 -154.15 6.29 Favored Glycine 0 CA--C 1.541 1.668 0 N-CA-C 112.291 -0.324 . . . . 20.0 112.291 177.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -111.85 29.56 7.76 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 120.71 0.291 . . . . 20.0 111.489 -177.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 58.4 m -104.4 -40.44 6.08 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 116.56 -0.291 . . . . 20.0 111.069 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 58.61 80.75 0.17 Allowed 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.118 0.485 . . . . 20.0 110.928 -177.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 2.4 mp -102.05 22.44 13.13 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 115.861 -0.608 . . . . 20.0 111.5 -174.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -145.64 158.67 43.82 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.028 0.442 . . . . 20.0 111.213 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -134.06 138.74 45.52 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.785 -0.643 . . . . 20.0 110.31 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.1 tt -96.91 124.59 40.93 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 116.289 -0.414 . . . . 20.0 110.675 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -104.41 145.75 31.27 Favored Pre-proline 0 CA--C 1.55 0.97 0 CA-C-N 116.301 -0.409 . . . . 20.0 110.523 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -60.12 157.34 35.1 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 122.554 2.169 . . . . 20.0 112.424 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 48.3 t -93.41 126.35 38.5 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.189 -0.459 . . . . 20.0 110.466 176.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 33.4 ptt-85 -116.62 -16.02 10.76 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 116.41 -0.359 . . . . 20.0 111.369 -177.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 38.2 m -66.65 -26.84 67.25 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.584 -0.28 . . . . 20.0 111.388 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.2 pp -143.23 163.3 33.31 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 120.713 0.292 . . . . 20.0 110.657 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -86.64 122.72 30.95 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-O 121.033 0.445 . . . . 20.0 111.422 -171.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 35.6 pt -144.57 170.18 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 115.644 -0.707 . . . . 20.0 109.961 174.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -73.33 134.77 44.23 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 110.058 -0.349 . . . . 20.0 110.058 170.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -110.57 99.67 8.61 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.193 -0.458 . . . . 20.0 110.746 -172.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -59.65 147.43 37.47 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.262 -0.426 . . . . 20.0 110.643 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.89 -10.01 44.03 Favored 'General case' 0 CA--C 1.559 1.318 0 N-CA-C 112.186 0.439 . . . . 20.0 112.186 -171.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -84.48 -18.56 35.46 Favored 'General case' 0 CA--C 1.552 1.055 0 O-C-N 122.408 -0.183 . . . . 20.0 111.429 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.65 -35.85 38.69 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.61 0.243 . . . . 20.0 110.476 170.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 26.3 t -54.19 -70.09 0.11 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 116.07 -0.513 . . . . 20.0 110.575 -178.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -153.65 128.79 9.68 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.907 0.384 . . . . 20.0 110.769 175.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -139.23 143.68 38.13 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.948 -0.569 . . . . 20.0 110.588 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 N--CA 1.48 1.057 0 CA-C-N 116.203 -0.453 . . . . 20.0 110.972 179.386 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.07 0 O5'-C5'-C4' 114.259 2.9 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.624 0 O4'-C4'-C3' 108.596 2.996 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.577 0 O5'-C5'-C4' 114.027 2.734 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.707 0 O5'-C5'-C4' 115.313 3.652 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.237 0 O5'-C5'-C4' 114.344 2.96 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.32 0 P-O3'-C3' 123.762 3.385 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.637 4.386 1 O4'-C4'-C3' 109.638 4.038 . . . . 20.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.813 0 O4'-C4'-C3' 108.802 3.202 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.544 0 C1'-O4'-C4' 104.162 -3.956 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.804 0 C5'-C4'-C3' 110.759 -2.627 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.368 0 P-O3'-C3' 123.726 3.355 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.213 0 P-O3'-C3' 122.489 2.324 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.587 0 O5'-C5'-C4' 114.469 3.049 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.181 0 P-O3'-C3' 123.794 3.411 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.438 0 O4'-C4'-C3' 108.616 3.016 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.417 0 O4'-C4'-C3' 108.308 2.708 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.254 0 P-O3'-C3' 123.236 2.946 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.445 0 C1'-O4'-C4' 106.077 -2.588 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.536 0 P-O3'-C3' 123.303 3.002 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.622 0 C1'-O4'-C4' 106.081 -2.585 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.727 0 O5'-C5'-C4' 114.223 2.873 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.36 0 O4'-C4'-C3' 108.548 2.948 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.471 0 P-O3'-C3' 122.667 2.472 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.625 0 O4'-C4'-C3' 108.276 2.676 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.02 0 O4'-C4'-C3' 108.731 3.131 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.608 0 P-O3'-C3' 123.96 3.55 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.533 2 C3'-C2'-C1' 94.906 -5.567 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.069 0 O3'-P-O5' 98.514 -2.887 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.959 1 O4'-C4'-C3' 109.838 4.238 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.765 0 O5'-C5'-C4' 113.749 2.535 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.218 0 O5'-C5'-C4' 114.044 2.746 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.401 2 P-O3'-C3' 125.245 4.621 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.04 0 O5'-C5'-C4' 115.382 3.701 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.535 0 P-O3'-C3' 123.358 3.049 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.534 0 O4'-C4'-C3' 108.523 2.923 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.594 0 O4'-C4'-C3' 108.529 2.929 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.614 0 O4'-C4'-C3' 108.605 3.005 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.265 0 P-O3'-C3' 122.887 2.656 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.932 0 CA-C-O 120.871 0.367 . . . . 20.0 110.947 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -132.0 156.65 45.85 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 116.165 -0.471 . . . . 20.0 110.706 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -70.86 154.02 42.21 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 116.319 -0.4 . . . . 20.0 110.879 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -43.86 108.72 0.12 Allowed 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 120.988 0.423 . . . . 20.0 110.566 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 99.6 mtp -56.94 134.15 55.34 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.492 -0.776 . . . . 20.0 111.636 -169.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -73.54 93.92 2.07 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.928 -0.578 . . . . 20.0 109.912 171.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 18.1 m -62.11 146.02 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 115.838 -0.619 . . . . 20.0 111.851 -169.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -150.33 162.14 41.09 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.455 -0.793 . . . . 20.0 110.674 175.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -139.52 172.06 13.35 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 116.246 -0.434 . . . . 20.0 111.081 -174.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -76.84 60.06 1.69 Allowed 'General case' 0 CA--C 1.559 1.303 0 CA-C-N 116.018 -0.537 . . . . 20.0 110.628 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -102.98 4.51 37.47 Favored 'General case' 0 CA--C 1.556 1.174 0 CA-C-N 115.958 -0.564 . . . . 20.0 111.056 -176.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -161.28 175.25 12.49 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.583 0.353 . . . . 20.0 110.741 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -136.18 157.91 45.68 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.108 -0.497 . . . . 20.0 110.023 169.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -112.58 127.41 56.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.014 0.435 . . . . 20.0 110.81 -173.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.8 tp -121.97 118.14 28.11 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.633 -0.712 . . . . 20.0 110.16 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 25.6 mt -88.82 122.12 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 120.953 0.406 . . . . 20.0 110.618 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 41.9 t -138.14 129.31 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 115.823 -0.626 . . . . 20.0 110.092 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.69 35.83 19.4 Favored 'General case' 0 CA--C 1.565 1.558 0 CA-C-O 120.967 0.413 . . . . 20.0 111.208 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.29 3.87 88.73 Favored Glycine 0 CA--C 1.55 2.229 0 CA-C-N 116.349 -0.387 . . . . 20.0 112.836 177.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -111.67 135.3 52.46 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.524 0.33 . . . . 20.0 110.724 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 97.6 t -80.07 123.23 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 116.477 -0.328 . . . . 20.0 110.29 174.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -108.75 114.73 28.76 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.363 -0.381 . . . . 20.0 110.518 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -79.79 119.89 23.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.38 -0.373 . . . . 20.0 110.197 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.1 mt -114.35 131.13 67.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-O 120.944 0.402 . . . . 20.0 111.086 -171.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.5 t -66.69 137.25 56.55 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.998 -0.546 . . . . 20.0 110.809 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 20.4 pt -69.64 -38.42 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 116.618 -0.264 . . . . 20.0 111.652 -176.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 52.2 t -60.82 -65.52 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 N-CA-C 111.898 0.333 . . . . 20.0 111.898 -176.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.4 p -105.16 -1.82 24.98 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-N 116.041 -0.527 . . . . 20.0 112.412 -169.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 56.96 40.63 28.64 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 122.561 0.345 . . . . 20.0 111.575 -175.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -80.77 130.21 34.95 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-N 116.367 -0.379 . . . . 20.0 110.263 170.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 33.7 p -93.45 151.17 19.91 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 120.995 0.426 . . . . 20.0 111.289 -177.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . 0.533 ' HH ' ' CG ' ' A' ' 512' ' ' HIS . 80.3 m-85 -144.16 141.95 30.26 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.781 -0.645 . . . . 20.0 111.136 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 80.2 t -78.72 -16.92 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 CA-C-N 115.92 -0.582 . . . . 20.0 110.887 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 84.3 m -135.16 138.91 44.15 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 120.796 0.331 . . . . 20.0 111.218 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.37 -34.07 73.36 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 116.184 -0.462 . . . . 20.0 110.737 174.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 39.2 p -55.05 -42.7 73.02 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 116.6 -0.273 . . . . 20.0 110.785 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 38.8 m -68.36 -38.63 81.62 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 116.505 -0.316 . . . . 20.0 110.991 177.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 7.1 tp -63.14 -46.4 87.38 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.511 -0.313 . . . . 20.0 110.82 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -48.38 80.84 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 120.552 0.215 . . . . 20.0 110.695 177.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -52.31 -41.22 62.76 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 116.257 -0.429 . . . . 20.0 110.856 174.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . 0.533 ' CG ' ' HH ' ' A' ' 503' ' ' TYR . 13.4 t60 -74.53 -43.39 56.03 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 116.167 -0.47 . . . . 20.0 111.42 -176.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -62.0 -25.97 67.95 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 122.397 -0.189 . . . . 20.0 111.465 -174.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -20.57 61.59 Favored 'General case' 0 CA--C 1.557 1.212 0 CA-C-O 120.581 0.229 . . . . 20.0 111.186 175.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 21.7 mt -81.11 -16.01 12.43 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 C-N-CA 122.347 0.259 . . . . 20.0 110.95 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -97.68 -43.48 7.17 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.715 0.293 . . . . 20.0 110.897 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 85.2 p -80.01 -34.33 38.51 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.356 -0.384 . . . . 20.0 111.31 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 55.5 m95 49.36 39.16 15.59 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-O 121.217 0.532 . . . . 20.0 110.706 -172.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -71.53 -26.97 62.88 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.866 -0.606 . . . . 20.0 111.17 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -125.05 135.06 52.36 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 116.531 -0.304 . . . . 20.0 110.56 175.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -102.46 141.17 35.72 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.174 -0.466 . . . . 20.0 110.538 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' TYR . . . . . 0.405 ' CE1' ' HB1' ' A' ' 534' ' ' ALA . 83.2 m-85 -124.28 79.95 59.66 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-N 116.167 -0.47 . . . . 20.0 110.217 172.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -78.22 149.66 25.21 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.793 2.329 . . . . 20.0 112.607 -176.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . 0.712 ' SG ' 'ZN ' ' A' ' 702' ' ' ' ZN' . 52.7 t -84.75 145.69 27.78 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.91 -0.586 . . . . 20.0 110.533 175.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -80.59 -37.34 31.41 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 116.519 -0.31 . . . . 20.0 110.918 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -84.01 -23.43 30.97 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 116.205 -0.452 . . . . 20.0 111.743 -171.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 15.2 p -139.2 161.58 37.07 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 120.769 0.319 . . . . 20.0 110.559 172.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -84.97 24.8 1.02 Allowed 'General case' 0 CA--C 1.564 1.481 0 N-CA-C 112.279 0.474 . . . . 20.0 112.279 -169.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -85.61 157.58 20.32 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 120.92 0.39 . . . . 20.0 111.198 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 11.1 t -128.81 138.21 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 CA-C-N 115.751 -0.659 . . . . 20.0 110.77 175.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -108.13 150.83 40.95 Favored Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 116.015 -0.538 . . . . 20.0 110.714 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -82.83 -0.61 10.15 Favored 'Trans proline' 0 CA--C 1.56 1.808 0 C-N-CA 122.89 2.394 . . . . 20.0 112.481 171.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 7.5 mp -133.58 141.14 47.55 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.841 0.456 . . . . 20.0 110.335 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . 0.405 ' HB1' ' CE1' ' A' ' 522' ' ' TYR . . . -69.97 -42.47 73.09 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 120.644 0.259 . . . . 20.0 111.159 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -61.12 -36.75 80.58 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 120.607 0.241 . . . . 20.0 110.924 -177.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -65.09 -39.97 93.94 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.629 -0.259 . . . . 20.0 110.833 177.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -55.25 35.15 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.878 0.37 . . . . 20.0 110.254 175.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 52.8 m -51.15 -59.21 4.43 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.906 -0.588 . . . . 20.0 111.184 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -62.45 -33.58 75.11 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 116.682 -0.235 . . . . 20.0 110.939 -175.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -66.97 -42.71 84.68 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 120.706 0.288 . . . . 20.0 111.03 175.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -70.31 -26.0 63.58 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 122.38 -0.2 . . . . 20.0 111.111 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 23.6 mt -64.59 -35.6 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-O 120.686 0.279 . . . . 20.0 110.449 170.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -73.14 -28.76 62.43 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.346 -0.388 . . . . 20.0 111.13 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -75.23 -42.44 55.34 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 120.77 0.319 . . . . 20.0 111.061 175.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 18.8 p -79.82 -19.92 47.34 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 116.413 -0.358 . . . . 20.0 111.409 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 77.23 13.67 83.38 Favored Glycine 0 CA--C 1.542 1.775 0 C-N-CA 121.481 -0.39 . . . . 20.0 112.652 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -55.73 116.59 3.01 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-O 120.776 0.322 . . . . 20.0 111.364 -175.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -78.59 129.94 35.37 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 116.259 -0.428 . . . . 20.0 110.154 171.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -136.33 -41.97 0.63 Allowed 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 116.298 -0.41 . . . . 20.0 111.556 -173.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -90.33 97.25 11.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.707 0.289 . . . . 20.0 110.412 -176.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -97.3 129.72 44.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.405 -0.361 . . . . 20.0 110.94 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 49.5 t -68.46 148.61 50.36 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.07 -0.513 . . . . 20.0 110.244 171.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 90.8 mt -103.74 -19.74 14.2 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 116.714 -0.221 . . . . 20.0 111.242 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.01 -48.37 24.42 Favored 'General case' 0 CA--C 1.556 1.174 0 CA-C-N 116.586 -0.279 . . . . 20.0 111.165 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 26.4 p -120.03 -1.61 10.36 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 112.054 0.39 . . . . 20.0 112.054 -175.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 81.51 -5.98 66.58 Favored Glycine 0 CA--C 1.556 2.643 0 C-N-CA 120.978 -0.63 . . . . 20.0 113.738 171.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -66.26 140.77 58.16 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 117.469 0.634 . . . . 20.0 111.065 -176.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 24.2 m -105.1 145.56 30.35 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 116.362 -0.381 . . . . 20.0 111.355 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -132.39 162.26 31.56 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.982 -0.554 . . . . 20.0 110.787 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 3.1 tt -80.14 -25.43 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 116.146 -0.479 . . . . 20.0 111.531 -172.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -155.05 175.05 14.32 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 121.111 0.481 . . . . 20.0 111.232 -174.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -63.86 -37.03 85.87 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.856 -0.611 . . . . 20.0 111.096 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -62.67 -48.52 78.93 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 116.419 -0.355 . . . . 20.0 111.205 -172.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -68.55 -42.7 78.0 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.901 -0.136 . . . . 20.0 110.869 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -56.43 -47.57 78.8 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 116.643 -0.253 . . . . 20.0 110.727 176.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 38.5 t -60.79 -49.1 78.84 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.559 -0.291 . . . . 20.0 110.959 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 29.1 t -56.34 -41.96 76.94 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.681 0.276 . . . . 20.0 110.881 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -64.83 -50.46 66.57 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 116.456 -0.338 . . . . 20.0 111.202 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 20.1 mt -64.3 -36.46 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-O 120.63 0.253 . . . . 20.0 110.679 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -67.08 -42.31 84.85 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 116.59 -0.277 . . . . 20.0 111.046 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 41.4 m -77.77 -36.46 50.53 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 116.571 -0.286 . . . . 20.0 111.69 -174.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 73.8 t -97.11 -47.81 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 116.635 -0.257 . . . . 20.0 111.409 -171.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -100.04 -5.61 27.76 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 116.643 -0.253 . . . . 20.0 111.497 -173.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 38.3 m 54.89 42.57 31.0 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.628 0.371 . . . . 20.0 111.254 177.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -135.73 160.92 37.05 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.248 -0.433 . . . . 20.0 110.973 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -104.03 120.06 52.3 Favored Pre-proline 0 CA--C 1.554 1.107 0 CA-C-N 116.047 -0.524 . . . . 20.0 110.47 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -56.66 -28.43 75.25 Favored 'Trans proline' 0 CA--C 1.551 1.345 0 C-N-CA 122.519 2.146 . . . . 20.0 112.742 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 9.5 t -79.62 -2.24 41.73 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-O 120.673 0.273 . . . . 20.0 111.29 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -77.02 -151.63 4.36 Favored Glycine 0 CA--C 1.542 1.781 0 N-CA-C 112.483 -0.247 . . . . 20.0 112.483 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -112.54 29.74 7.69 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 120.744 0.307 . . . . 20.0 111.34 -176.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 68.8 m -101.11 -38.4 8.16 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 116.498 -0.319 . . . . 20.0 111.307 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 59.02 77.79 0.29 Allowed 'General case' 0 N--CA 1.503 2.224 0 CA-C-O 121.225 0.536 . . . . 20.0 110.544 -174.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 5.3 mt -105.79 12.39 30.91 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 115.732 -0.667 . . . . 20.0 112.102 -169.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -147.62 162.71 38.58 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.09 0.471 . . . . 20.0 111.476 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -138.22 137.96 38.06 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.644 -0.707 . . . . 20.0 110.156 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.5 tt -102.08 113.71 27.19 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.425 -0.352 . . . . 20.0 110.667 -175.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -88.28 152.88 50.77 Favored Pre-proline 0 CA--C 1.554 1.114 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.928 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -63.97 158.83 45.33 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 122.468 2.112 . . . . 20.0 112.554 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 24.7 t -94.59 131.53 40.25 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.143 -0.481 . . . . 20.0 110.575 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -120.13 -22.42 6.65 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 116.3 -0.409 . . . . 20.0 111.448 -174.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 49.1 m -73.73 -21.39 60.23 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 111.877 0.325 . . . . 20.0 111.877 -171.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 3.0 pp -143.27 169.05 18.36 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 120.876 0.369 . . . . 20.0 111.293 -177.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -91.08 113.26 25.48 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 116.119 -0.491 . . . . 20.0 111.635 -171.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 23.6 pt -149.79 164.61 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 115.718 -0.674 . . . . 20.0 110.309 169.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -73.23 145.66 46.04 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.952 -0.388 . . . . 20.0 109.952 171.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -126.14 152.04 46.46 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.046 0.451 . . . . 20.0 110.822 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . 0.426 ' H ' ' CD2' ' A' ' 600' ' ' LEU . 87.7 m-85 -103.17 157.8 16.75 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.771 -0.65 . . . . 20.0 110.678 -177.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.77 -9.94 56.48 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-N 116.57 -0.286 . . . . 20.0 111.747 -175.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -77.53 -20.49 54.1 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 121.314 -0.154 . . . . 20.0 110.855 173.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . 0.426 ' CD2' ' H ' ' A' ' 597' ' ' TYR . 0.3 OUTLIER -82.68 -32.57 28.05 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 109.944 -0.391 . . . . 20.0 109.944 169.371 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 56.0 m -74.43 0.87 13.19 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 115.973 -0.558 . . . . 20.0 111.707 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -54.27 143.18 23.88 Favored 'General case' 0 CA--C 1.556 1.193 0 CA-C-O 120.893 0.378 . . . . 20.0 111.145 -178.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -63.14 141.5 58.74 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 116.214 -0.448 . . . . 20.0 110.906 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 N--CA 1.478 0.973 0 CA-C-N 116.243 -0.435 . . . . 20.0 111.05 -178.763 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.312 0 O5'-C5'-C4' 114.483 3.059 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.189 1 O5'-C5'-C4' 115.907 4.077 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.595 0 O5'-C5'-C4' 114.327 2.948 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.743 2 O5'-C5'-C4' 116.481 4.487 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.573 0 O5'-C5'-C4' 114.73 3.235 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.921 0 P-O3'-C3' 123.61 3.258 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.929 1 O5'-C5'-C4' 116.035 4.168 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.817 0 P-O3'-C3' 124.036 3.614 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.694 0 O5'-C5'-C4' 114.396 2.997 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.57 0 P-O3'-C3' 123.769 3.391 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.406 0 P-O3'-C3' 123.522 3.185 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.177 0 P-O3'-C3' 122.908 2.673 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.489 0 O4'-C4'-C3' 108.71 3.11 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.606 0 P-O3'-C3' 123.348 3.04 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.586 0 O5'-C5'-C4' 114.161 2.829 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.635 0 O5'-C5'-C4' 114.236 2.883 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.147 0 P-O3'-C3' 123.452 3.126 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.972 1 O5'-C5'-C4' 116.212 4.294 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.562 0 P-O3'-C3' 123.746 3.372 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.623 0 C1'-O4'-C4' 106.127 -2.552 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.776 0 O4'-C4'-C3' 108.45 2.85 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.293 0 O4'-C4'-C3' 108.153 2.553 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.692 0 O4'-C4'-C3' 108.399 2.799 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.744 0 O4'-C4'-C3' 108.351 2.751 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.508 0 P-O3'-C3' 123.969 3.558 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.687 0 O5'-C5'-C4' 115.073 3.48 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.742 2 C3'-C2'-C1' 95.481 -5.157 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.28 0 O3'-P-O5' 98.684 -2.798 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.305 0 O5'-C5'-C4' 114.735 3.239 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.04 0 O4'-C4'-C3' 107.787 2.187 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.127 0 C1'-O4'-C4' 105.381 -3.085 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.448 1 P-O3'-C3' 125.137 4.531 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.792 0 O5'-C5'-C4' 115.107 3.505 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.416 0 P-O3'-C3' 123.078 2.815 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.672 0 O4'-C4'-C3' 108.615 3.015 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.678 0 O4'-C4'-C3' 108.624 3.024 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.514 0 O4'-C4'-C3' 108.673 3.073 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.394 0 P-O3'-C3' 122.935 2.696 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . 0.712 'ZN ' ' SG ' ' A' ' 524' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.992 0 CA-C-O 120.866 0.365 . . . . 20.0 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -68.93 148.53 50.05 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 116.26 -0.427 . . . . 20.0 110.879 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -134.71 155.65 50.18 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 116.208 -0.451 . . . . 20.0 110.715 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -148.1 141.51 25.3 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 116.166 -0.47 . . . . 20.0 110.751 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 16.5 ttm -167.11 168.67 13.43 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 116.245 -0.434 . . . . 20.0 110.8 -176.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 477' ' ' LYS . . . . . 0.432 ' HE2' " H1'" ' D' ' 17' ' ' ' DA' . 4.6 mptp? -123.71 94.7 4.32 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-N 116.269 -0.423 . . . . 20.0 110.178 173.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 29.0 m -140.4 154.48 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 116.207 -0.452 . . . . 20.0 111.069 -176.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 479' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 479' ' ' LYS . 0.1 OUTLIER -104.23 163.38 12.45 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.998 -0.547 . . . . 20.0 110.399 173.694 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -132.71 159.05 40.79 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 116.295 -0.411 . . . . 20.0 111.013 -171.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -91.39 32.59 1.04 Allowed 'General case' 0 CA--C 1.556 1.197 0 CA-C-N 116.048 -0.524 . . . . 20.0 111.077 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 35.8 p30 -85.8 10.01 14.94 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 116.374 -0.376 . . . . 20.0 111.07 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -158.72 175.0 14.17 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 120.815 0.34 . . . . 20.0 110.909 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -137.54 160.57 38.78 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.37 171.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -102.59 119.42 38.8 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.403 -0.362 . . . . 20.0 110.675 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.2 tp -115.38 114.56 25.27 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.076 -0.511 . . . . 20.0 110.171 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 29.8 mt -87.18 123.22 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-O 120.97 0.414 . . . . 20.0 110.591 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 47.9 t -134.19 123.56 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 115.841 -0.618 . . . . 20.0 110.144 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 36.0 t0 49.84 42.12 23.52 Favored 'General case' 0 CA--C 1.564 1.517 0 CA-C-O 121.086 0.47 . . . . 20.0 111.064 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 86.61 -21.38 18.62 Favored Glycine 0 CA--C 1.549 2.163 0 CA-C-N 116.172 -0.467 . . . . 20.0 113.04 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 56.9 mtt85 -89.24 135.74 33.41 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 116.887 0.343 . . . . 20.0 111.058 -177.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 99.8 t -81.59 122.67 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 116.48 -0.327 . . . . 20.0 110.209 173.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -108.21 116.87 32.76 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.398 -0.365 . . . . 20.0 110.476 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -79.84 117.17 20.47 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.276 -0.42 . . . . 20.0 110.282 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.1 mt -112.9 127.85 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-O 120.802 0.334 . . . . 20.0 111.082 -172.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 4.0 t -65.16 137.05 57.38 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.227 -0.442 . . . . 20.0 110.594 176.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 35.5 pt -68.69 -39.22 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 111.75 0.278 . . . . 20.0 111.75 -176.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.83 -64.43 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 N-CA-C 111.871 0.322 . . . . 20.0 111.871 -175.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 26.5 p -104.99 -3.24 23.5 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 115.984 -0.553 . . . . 20.0 112.358 -169.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 57.8 37.54 27.09 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 122.576 0.35 . . . . 20.0 111.668 -178.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -80.57 131.09 35.47 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 110.149 -0.315 . . . . 20.0 110.149 169.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 24.4 p -93.24 145.94 24.06 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.971 0.415 . . . . 20.0 111.279 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -138.24 140.52 39.73 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.807 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 75.9 t -82.86 -16.31 11.5 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.835 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 75.5 m -134.71 134.91 41.56 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.412 -0.358 . . . . 20.0 110.961 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.42 -33.27 73.42 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 116.301 -0.409 . . . . 20.0 111.12 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 17.3 p -52.08 -46.59 65.25 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 120.727 0.298 . . . . 20.0 111.104 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 6.7 m -69.51 -33.36 72.72 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.445 -0.343 . . . . 20.0 111.181 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 7.7 tp -63.12 -46.33 87.79 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 116.915 -0.13 . . . . 20.0 110.862 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -58.45 -48.9 79.23 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 120.818 0.342 . . . . 20.0 110.344 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -57.45 -42.25 82.11 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.916 -0.584 . . . . 20.0 110.959 177.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -68.56 -46.31 69.79 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 116.4 -0.364 . . . . 20.0 111.324 -176.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -60.7 -21.24 62.68 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 111.465 0.172 . . . . 20.0 111.465 -173.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.43 -25.01 58.97 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 120.536 0.208 . . . . 20.0 111.22 174.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 36.5 mt -75.9 -19.48 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 122.447 0.299 . . . . 20.0 111.202 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -96.74 -40.61 8.88 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.618 0.247 . . . . 20.0 111.051 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 81.0 p -81.94 -34.75 29.68 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.521 -0.309 . . . . 20.0 111.445 -175.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 36.5 m95 50.32 36.32 12.63 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.138 0.494 . . . . 20.0 110.856 -171.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -69.26 -28.93 66.75 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.108 -0.496 . . . . 20.0 110.922 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -129.16 122.85 30.66 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.351 -0.386 . . . . 20.0 110.349 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -93.43 150.5 20.41 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 116.216 -0.447 . . . . 20.0 110.653 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -124.03 79.92 57.98 Favored Pre-proline 0 CA--C 1.546 0.82 0 CA-C-N 116.12 -0.491 . . . . 20.0 110.219 175.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.44 153.66 31.05 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.947 2.432 . . . . 20.0 112.545 -178.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 5.1 t -79.74 170.44 16.52 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.073 -0.512 . . . . 20.0 110.936 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -106.48 -40.06 5.69 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 115.876 -0.602 . . . . 20.0 110.766 176.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -78.41 -21.88 48.62 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.33 -0.395 . . . . 20.0 111.44 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 23.0 p -140.33 173.36 11.58 Favored 'General case' 0 CA--C 1.556 1.197 0 CA-C-O 120.832 0.349 . . . . 20.0 110.779 176.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -92.05 11.32 25.7 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 116.457 -0.338 . . . . 20.0 111.836 -174.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -71.65 149.12 45.85 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 120.713 0.292 . . . . 20.0 111.093 -177.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 8.7 t -127.57 138.84 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 CA-C-N 116.346 -0.388 . . . . 20.0 111.025 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -124.66 160.11 55.07 Favored Pre-proline 0 N--CA 1.477 0.895 0 CA-C-N 115.898 -0.592 . . . . 20.0 110.715 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -89.18 0.15 6.11 Favored 'Trans proline' 0 CA--C 1.559 1.748 0 C-N-CA 123.082 2.521 . . . . 20.0 113.376 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 1.9 mp -134.06 143.19 47.9 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.766 0.317 . . . . 20.0 110.838 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.54 -40.28 80.75 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 116.239 -0.437 . . . . 20.0 111.148 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -57.13 -50.46 72.74 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 120.814 0.34 . . . . 20.0 110.687 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -60.58 -34.28 73.95 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.186 -0.461 . . . . 20.0 110.663 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -67.52 -47.48 69.81 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.487 -0.324 . . . . 20.0 110.886 175.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 49.4 m -61.03 -52.88 63.12 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 116.754 -0.203 . . . . 20.0 110.949 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -63.12 -34.26 77.22 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 116.776 -0.193 . . . . 20.0 111.01 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -65.43 -44.62 86.8 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 120.669 0.271 . . . . 20.0 110.838 174.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -66.31 -32.08 73.27 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 122.44 -0.163 . . . . 20.0 111.041 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 27.2 mt -62.31 -29.9 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-O 120.713 0.292 . . . . 20.0 110.619 172.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -76.76 -26.3 54.4 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 116.485 -0.325 . . . . 20.0 111.134 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -75.09 -40.37 60.11 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-O 120.577 0.227 . . . . 20.0 110.866 174.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 69.4 p -76.93 -36.09 56.85 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 116.578 -0.283 . . . . 20.0 111.099 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 85.47 16.94 63.17 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 121.355 -0.45 . . . . 20.0 112.181 -175.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -55.98 120.87 8.12 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 120.871 0.367 . . . . 20.0 111.147 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -71.28 124.81 25.37 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.339 -0.391 . . . . 20.0 110.195 172.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 34.0 mmm-85 -115.91 -55.9 2.37 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.235 -0.439 . . . . 20.0 111.214 -173.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -99.76 114.47 27.64 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.351 -0.386 . . . . 20.0 110.776 -172.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -105.51 130.37 53.59 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 120.837 0.351 . . . . 20.0 110.843 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 49.4 t -68.68 147.91 51.17 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.155 -0.475 . . . . 20.0 110.092 171.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 87.7 mt -102.86 -17.57 15.47 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 116.694 -0.23 . . . . 20.0 111.313 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.13 -48.47 23.54 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 116.647 -0.251 . . . . 20.0 111.095 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 31.8 p -119.91 -2.55 10.29 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 112.092 0.405 . . . . 20.0 112.092 -174.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 80.02 -1.51 79.41 Favored Glycine 0 CA--C 1.557 2.695 0 C-N-CA 120.993 -0.622 . . . . 20.0 113.56 172.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -68.98 140.24 55.04 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-N 117.228 0.514 . . . . 20.0 111.026 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 43.9 m -107.0 147.04 30.38 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 116.327 -0.397 . . . . 20.0 111.178 -177.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -131.98 156.58 45.96 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.926 -0.579 . . . . 20.0 110.729 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 5.9 tt -79.51 -23.94 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 116.242 -0.435 . . . . 20.0 111.651 -172.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -151.6 169.66 21.57 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-O 121.046 0.45 . . . . 20.0 111.156 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' TYR . . . . . 0.43 ' CE1' " H2'" ' E' ' 31' ' ' ' DG' . 24.8 t80 -66.95 -39.08 87.17 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 116.001 -0.545 . . . . 20.0 111.275 -175.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.6 mp0 -58.48 -44.92 89.55 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.622 -0.263 . . . . 20.0 111.155 -174.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -68.14 -42.95 79.38 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.598 -0.274 . . . . 20.0 111.018 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -40.37 92.03 Favored 'General case' 0 CA--C 1.554 1.096 0 CA-C-N 116.696 -0.229 . . . . 20.0 111.093 -176.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 34.8 t -63.78 -46.08 86.84 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.602 0.239 . . . . 20.0 110.618 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 16.5 t -58.15 -41.81 84.56 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 116.419 -0.355 . . . . 20.0 110.815 176.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -62.52 -47.86 82.08 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 116.412 -0.358 . . . . 20.0 111.353 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 57.2 mt -64.43 -39.67 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-O 120.596 0.236 . . . . 20.0 110.654 -177.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -67.08 -44.69 79.39 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.574 -0.284 . . . . 20.0 111.097 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 22.9 t -74.84 -39.39 61.64 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 111.709 0.263 . . . . 20.0 111.709 -175.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 77.1 t -92.19 -47.0 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 111.615 0.228 . . . . 20.0 111.615 -170.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -100.03 -3.61 31.7 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 116.603 -0.271 . . . . 20.0 111.573 -173.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 39.8 m 54.85 36.82 27.44 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 120.808 0.337 . . . . 20.0 111.287 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -128.81 158.24 39.25 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.267 -0.424 . . . . 20.0 110.844 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -104.41 112.27 65.36 Favored Pre-proline 0 CA--C 1.551 1.017 0 CA-C-N 116.121 -0.491 . . . . 20.0 110.536 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.83 -15.88 33.09 Favored 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 122.54 2.16 . . . . 20.0 112.711 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 33.5 t -81.04 -3.99 53.67 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 116.754 -0.203 . . . . 20.0 111.116 176.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -80.16 -141.3 2.59 Favored Glycine 0 CA--C 1.54 1.648 0 N-CA-C 112.281 -0.327 . . . . 20.0 112.281 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -116.0 29.7 7.81 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-O 120.846 0.355 . . . . 20.0 110.995 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 27.1 p -98.19 -41.18 8.02 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.408 -0.36 . . . . 20.0 111.187 -178.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 59.39 71.68 0.57 Allowed 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.22 0.533 . . . . 20.0 110.714 -176.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 9.2 mt -98.8 16.32 22.62 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 115.716 -0.674 . . . . 20.0 111.547 -173.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -147.82 162.27 39.58 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.963 0.411 . . . . 20.0 111.221 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -140.18 138.68 35.35 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.784 -0.644 . . . . 20.0 110.308 176.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -103.07 117.36 34.39 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.429 -0.35 . . . . 20.0 110.57 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -92.05 160.63 35.24 Favored Pre-proline 0 CA--C 1.553 1.077 0 CA-C-N 116.178 -0.464 . . . . 20.0 110.675 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.49 161.44 43.38 Favored 'Trans proline' 0 CA--C 1.544 1.017 0 C-N-CA 122.713 2.275 . . . . 20.0 112.636 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 42.1 t -100.38 130.23 46.45 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.111 -0.495 . . . . 20.0 110.333 173.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -123.72 -14.31 7.27 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 116.433 -0.349 . . . . 20.0 111.445 -177.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 37.4 m -69.97 -23.72 63.22 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 116.617 -0.265 . . . . 20.0 111.46 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.9 pp -140.26 164.94 28.73 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-O 120.923 0.392 . . . . 20.0 110.868 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -82.79 117.35 22.62 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 116.037 -0.529 . . . . 20.0 111.561 -170.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 33.3 pt -143.95 166.55 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 CA-C-N 115.781 -0.645 . . . . 20.0 110.25 173.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -71.22 138.4 49.45 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 110.007 -0.368 . . . . 20.0 110.007 171.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -111.16 96.33 6.07 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.35 -0.386 . . . . 20.0 110.768 -172.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -51.87 142.03 16.23 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.889 -0.596 . . . . 20.0 110.906 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -61.96 -18.11 59.23 Favored 'General case' 0 CA--C 1.557 1.239 0 N-CA-C 111.679 0.251 . . . . 20.0 111.679 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -81.35 -18.78 44.43 Favored 'General case' 0 CA--C 1.554 1.119 0 CA-C-O 120.631 0.253 . . . . 20.0 111.205 176.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.01 -36.86 14.7 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.467 -0.333 . . . . 20.0 110.515 170.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.28 -3.77 55.88 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 116.121 -0.49 . . . . 20.0 111.862 -171.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -147.81 167.4 24.83 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 120.777 0.322 . . . . 20.0 110.738 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -51.14 140.87 15.41 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 116.177 -0.465 . . . . 20.0 111.206 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 N--CA 1.476 0.839 0 CA-C-N 115.95 -0.568 . . . . 20.0 110.998 -179.501 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.228 0 O5'-C5'-C4' 114.138 2.813 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.588 0 O4'-C4'-C3' 108.549 2.949 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.48 0 O5'-C5'-C4' 114.043 2.745 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.622 0 O4'-C4'-C3' 109.056 3.456 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.118 0 O5'-C5'-C4' 114.629 3.164 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.285 0 P-O3'-C3' 123.642 3.285 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.997 1 O4'-C4'-C3' 109.603 4.003 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 0 O4'-C4'-C3' 108.749 3.149 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.043 1 C3'-C2'-C1' 96.671 -4.307 . . . . 20.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.54 0 O5'-C5'-C4' 114.385 2.989 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.52 0 P-O3'-C3' 123.249 2.958 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.331 0 P-O3'-C3' 122.402 2.251 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.287 0 P-O3'-C3' 123.485 3.154 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.331 0 P-O3'-C3' 123.733 3.361 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.21 0 O4'-C4'-C3' 108.311 2.711 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.355 0 O4'-C4'-C3' 108.392 2.792 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . 0.432 " H1'" ' HE2' ' A' ' 477' ' ' LYS . . . . . . . . 0 C5'--C4' 1.538 3.382 0 P-O3'-C3' 123.276 2.98 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.673 0 O4'-C4'-C3' 108.465 2.865 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.32 0 P-O3'-C3' 122.567 2.389 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.586 0 C1'-O4'-C4' 106.145 -2.539 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.719 0 O4'-C4'-C3' 108.408 2.808 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.104 0 P-O3'-C3' 122.908 2.673 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.587 0 P-O3'-C3' 123.423 3.103 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.328 0 P-O3'-C3' 122.665 2.471 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.385 0 O4'-C4'-C3' 108.442 2.842 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.777 0 O5'-C5'-C4' 115.581 3.843 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.456 2 C3'-C2'-C1' 95.41 -5.207 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.795 0 O3'-P-O5' 98.987 -2.638 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.707 0 P-O3'-C3' 123.605 3.254 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.938 0 O5'-C5'-C4' 114.539 3.099 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 31' ' ' ' DG' . . . . . 0.43 " H2'" ' CE1' ' A' ' 562' ' ' TYR . . . . . . . . 0 C5'--C4' 1.54 3.592 0 C3'-C2'-C1' 106.822 2.944 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.985 1 O5'-C5'-C4' 116.23 4.307 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.069 0 O5'-C5'-C4' 114.777 3.269 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.584 0 P-O3'-C3' 123.329 3.024 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.598 0 O4'-C4'-C3' 108.396 2.796 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.516 0 O4'-C4'-C3' 108.555 2.955 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.562 0 O4'-C4'-C3' 108.561 2.961 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.258 0 P-O3'-C3' 122.842 2.618 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.904 0 CA-C-O 120.868 0.366 . . . . 20.0 110.911 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -152.01 134.12 15.06 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 116.206 -0.452 . . . . 20.0 110.528 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -147.36 79.95 1.5 Allowed 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 120.913 0.387 . . . . 20.0 111.057 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -66.61 104.96 1.39 Allowed 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 116.308 -0.405 . . . . 20.0 110.213 173.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 27.1 ttt -158.12 80.0 0.84 Allowed 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 120.919 0.39 . . . . 20.0 110.786 -177.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -148.94 49.97 0.98 Allowed 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 116.128 -0.487 . . . . 20.0 110.821 177.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 2.3 p -154.95 103.86 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 CA-C-N 116.223 -0.444 . . . . 20.0 110.639 177.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -162.17 59.86 0.24 Allowed 'General case' 0 N--CA 1.485 1.286 0 CA-C-N 116.028 -0.533 . . . . 20.0 110.436 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.18 79.94 1.32 Allowed 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 116.024 -0.535 . . . . 20.0 110.745 -176.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -150.42 27.43 0.75 Allowed 'General case' 0 CA--C 1.567 1.609 0 N-CA-C 108.687 -0.857 . . . . 20.0 108.687 170.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 33.7 p30 -129.23 14.91 6.19 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 115.043 -0.98 . . . . 20.0 112.558 -168.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -160.54 174.01 14.68 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 121.023 0.439 . . . . 20.0 111.782 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -138.62 162.05 35.59 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.486 -0.779 . . . . 20.0 110.095 171.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -102.78 120.75 41.14 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.451 -0.34 . . . . 20.0 110.744 -177.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.3 tp -117.07 116.33 27.12 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.004 -0.544 . . . . 20.0 110.158 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 33.7 mt -89.38 123.57 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 120.958 0.408 . . . . 20.0 110.606 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 45.2 t -138.51 129.51 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 115.755 -0.657 . . . . 20.0 110.096 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.03 36.62 19.16 Favored 'General case' 0 CA--C 1.564 1.498 0 CA-C-O 120.935 0.398 . . . . 20.0 111.208 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.68 0.84 85.73 Favored Glycine 0 CA--C 1.552 2.36 0 CA-C-N 116.5 -0.318 . . . . 20.0 112.911 177.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -107.66 134.77 50.17 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.513 0.325 . . . . 20.0 110.7 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 89.0 t -81.37 121.5 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 116.589 -0.278 . . . . 20.0 110.318 174.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -108.76 115.58 30.35 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.523 177.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -79.83 116.03 19.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.329 -0.396 . . . . 20.0 110.027 176.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 2.8 mt -109.26 128.41 65.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-N 116.379 -0.373 . . . . 20.0 110.968 -172.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 2.6 t -65.8 135.65 55.16 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.066 -0.515 . . . . 20.0 110.629 175.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 35.7 pt -69.4 -38.23 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 111.774 0.287 . . . . 20.0 111.774 -175.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 47.8 t -60.81 -64.8 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 N-CA-C 111.81 0.3 . . . . 20.0 111.81 -176.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 29.1 p -105.11 -3.81 22.63 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.33 0.493 . . . . 20.0 112.33 -169.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 59.45 36.29 23.08 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 122.593 0.357 . . . . 20.0 111.768 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -80.43 131.39 35.58 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 110.058 -0.349 . . . . 20.0 110.058 169.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 21.4 p -92.49 146.09 23.95 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.311 -0.404 . . . . 20.0 111.235 -176.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -137.53 138.08 39.27 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.972 -0.558 . . . . 20.0 110.923 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 52.8 t -80.08 -15.82 12.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-N 115.945 -0.571 . . . . 20.0 111.029 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 78.9 m -136.57 135.13 38.16 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.778 0.323 . . . . 20.0 110.871 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 30.3 mt -60.31 -36.21 77.37 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 116.345 -0.389 . . . . 20.0 110.971 177.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 14.2 p -54.11 -39.57 66.51 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 120.816 0.341 . . . . 20.0 110.875 175.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 5.4 t -69.39 -40.09 77.6 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.07 -0.514 . . . . 20.0 110.867 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.29 -45.35 93.63 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.326 -0.397 . . . . 20.0 111.114 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -58.31 -46.65 85.76 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 120.772 0.32 . . . . 20.0 110.271 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -55.73 -45.21 78.0 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.862 -0.608 . . . . 20.0 110.634 175.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -69.21 -48.68 61.37 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 116.222 -0.445 . . . . 20.0 111.425 -174.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -61.85 -21.0 64.29 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-O 120.505 0.193 . . . . 20.0 111.491 -171.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -23.02 62.94 Favored 'General case' 0 CA--C 1.561 1.399 0 CA-C-N 116.749 -0.205 . . . . 20.0 111.217 175.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 38.0 mt -76.54 -19.17 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-O 120.599 0.238 . . . . 20.0 110.95 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -97.85 -42.41 7.58 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.717 0.294 . . . . 20.0 110.985 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 89.3 p -78.57 -34.01 47.24 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.362 -0.381 . . . . 20.0 111.329 -176.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 61.5 m95 50.65 39.44 21.61 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 121.212 0.529 . . . . 20.0 110.521 -169.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.44 -30.24 70.55 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.802 -0.635 . . . . 20.0 111.006 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -133.53 122.8 24.11 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.269 -0.423 . . . . 20.0 110.454 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -92.94 143.53 26.16 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.287 -0.415 . . . . 20.0 110.421 174.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -122.41 79.93 45.9 Favored Pre-proline 0 CA--C 1.541 0.612 0 CA-C-N 116.16 -0.473 . . . . 20.0 110.471 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.84 148.95 46.97 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.623 2.215 . . . . 20.0 112.42 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 24.5 t -73.61 170.48 15.13 Favored 'General case' 0 CA--C 1.557 1.235 0 CA-C-N 115.876 -0.602 . . . . 20.0 110.42 173.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -110.43 -39.96 4.78 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 116.205 -0.452 . . . . 20.0 110.841 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -79.16 -20.83 47.52 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 116.299 -0.409 . . . . 20.0 111.348 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.8 p -139.66 170.49 15.79 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 120.666 0.27 . . . . 20.0 110.594 172.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -94.36 16.78 14.24 Favored 'General case' 0 CA--C 1.564 1.486 0 N-CA-C 112.268 0.47 . . . . 20.0 112.268 -169.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -78.82 161.73 26.58 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 120.772 0.32 . . . . 20.0 110.956 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 15.2 t -130.69 139.07 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 CA-C-N 116.168 -0.469 . . . . 20.0 111.124 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -109.98 152.19 42.89 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 115.928 -0.578 . . . . 20.0 110.673 175.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -83.62 -3.32 10.63 Favored 'Trans proline' 0 CA--C 1.557 1.64 0 C-N-CA 122.838 2.358 . . . . 20.0 112.776 175.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.1 mp -134.19 146.06 49.8 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.586 0.355 . . . . 20.0 110.313 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -67.58 -49.58 62.47 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.628 -0.26 . . . . 20.0 111.168 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -56.94 -35.68 69.36 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.67 -0.241 . . . . 20.0 111.098 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -63.44 -40.46 97.21 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.734 -0.212 . . . . 20.0 110.716 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.04 -39.71 93.25 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.648 0.261 . . . . 20.0 110.318 175.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 24.3 m -67.17 -55.79 12.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.436 -0.347 . . . . 20.0 110.892 -175.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -61.18 -34.66 75.41 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.639 -0.255 . . . . 20.0 110.839 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -66.01 -46.85 76.44 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-O 120.63 0.252 . . . . 20.0 111.049 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -65.65 -31.72 72.9 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 122.391 -0.193 . . . . 20.0 111.056 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 9.5 mt -59.6 -33.92 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-O 120.985 0.422 . . . . 20.0 110.397 171.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -29.48 67.37 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.17 -0.468 . . . . 20.0 110.881 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -78.25 -42.65 30.46 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 116.665 -0.243 . . . . 20.0 111.141 177.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 82.4 p -76.0 -18.22 59.37 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 116.825 -0.17 . . . . 20.0 111.311 -177.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 76.64 15.91 81.18 Favored Glycine 0 CA--C 1.543 1.794 0 C-N-CA 121.442 -0.409 . . . . 20.0 112.346 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.46 109.69 1.24 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 120.817 0.341 . . . . 20.0 110.981 -176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 64.2 mtm180 -80.1 127.36 32.22 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.868 0.366 . . . . 20.0 110.145 175.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -107.72 -51.45 2.9 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.909 -0.587 . . . . 20.0 111.581 -169.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -97.68 110.43 22.99 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.365 -0.379 . . . . 20.0 110.871 -171.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -93.04 123.69 36.48 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.351 -0.386 . . . . 20.0 110.645 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' CYS . . . . . 0.617 ' SG ' 'ZN ' ' A' ' 703' ' ' ' ZN' . 35.3 t -77.29 100.01 5.72 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.283 -0.417 . . . . 20.0 110.535 177.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 75.2 mt -61.83 -15.06 38.95 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 111.887 0.329 . . . . 20.0 111.887 -175.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.07 -50.07 17.63 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-O 120.352 0.12 . . . . 20.0 111.317 -177.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.7 p -120.07 -5.28 10.02 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 111.88 0.326 . . . . 20.0 111.88 -174.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 91.51 -7.87 79.48 Favored Glycine 0 CA--C 1.551 2.33 0 C-N-CA 121.536 -0.364 . . . . 20.0 113.274 174.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -74.61 133.48 42.17 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 117.293 0.546 . . . . 20.0 110.86 -175.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 49.8 m -105.96 150.15 25.96 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.435 -0.348 . . . . 20.0 110.969 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -130.2 154.76 47.21 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.151 -0.477 . . . . 20.0 110.882 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.5 tt -76.21 -23.04 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 116.196 -0.456 . . . . 20.0 111.58 -173.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 29.5 p30 -153.26 170.95 19.34 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.83 0.348 . . . . 20.0 110.901 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -71.85 -34.34 69.18 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.273 -0.421 . . . . 20.0 111.063 -175.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.7 mp0 -55.68 -44.51 77.38 Favored 'General case' 0 CA--C 1.554 1.116 0 O-C-N 122.205 -0.309 . . . . 20.0 110.893 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -69.44 -46.58 66.39 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.623 -0.262 . . . . 20.0 111.176 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -61.93 -46.84 87.56 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 120.673 0.273 . . . . 20.0 111.036 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 31.9 t -59.34 -46.66 88.01 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.488 -0.324 . . . . 20.0 110.741 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 23.0 t -59.83 -43.13 94.72 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.46 -0.336 . . . . 20.0 110.889 177.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -64.83 -48.16 75.36 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 116.399 -0.364 . . . . 20.0 111.339 -177.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 17.2 mt -66.79 -35.08 73.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-O 120.565 0.222 . . . . 20.0 110.782 -177.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -68.19 -42.55 79.74 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.603 -0.271 . . . . 20.0 111.026 176.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 36.8 m -78.59 -35.53 45.65 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.563 -0.29 . . . . 20.0 111.781 -173.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 71.7 t -99.01 -45.91 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 CA-C-O 120.534 0.207 . . . . 20.0 111.486 -170.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -100.16 -4.85 28.76 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 116.676 -0.238 . . . . 20.0 111.448 -174.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 40.0 m 55.78 38.69 30.38 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.678 0.391 . . . . 20.0 111.351 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -134.55 161.85 33.92 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.24 -0.436 . . . . 20.0 110.983 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -110.32 112.24 57.21 Favored Pre-proline 0 CA--C 1.553 1.069 0 CA-C-N 116.141 -0.481 . . . . 20.0 110.586 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -70.81 -16.37 33.12 Favored 'Trans proline' 0 CA--C 1.551 1.34 0 C-N-CA 122.449 2.1 . . . . 20.0 112.79 -178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 47.3 t -79.37 -5.46 54.64 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-O 120.7 0.286 . . . . 20.0 110.97 174.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -77.83 -139.13 1.26 Allowed Glycine 0 CA--C 1.543 1.787 0 CA-C-N 116.488 -0.324 . . . . 20.0 112.306 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -118.45 29.76 7.58 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 120.748 0.309 . . . . 20.0 111.28 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 32.8 p -99.63 -42.3 6.95 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 116.476 -0.329 . . . . 20.0 111.116 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 63.1 mttp 59.01 67.98 0.86 Allowed 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.167 0.508 . . . . 20.0 110.708 -175.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 4.5 mt -93.18 16.85 12.08 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 115.746 -0.661 . . . . 20.0 111.435 -176.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -146.95 161.89 39.85 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.993 0.425 . . . . 20.0 111.204 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -130.24 129.37 43.24 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.742 -0.663 . . . . 20.0 110.172 175.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -97.1 106.53 18.89 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 120.889 0.376 . . . . 20.0 110.492 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -82.24 155.62 69.43 Favored Pre-proline 0 CA--C 1.548 0.883 0 CA-C-N 116.108 -0.496 . . . . 20.0 110.67 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -66.24 160.87 43.01 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.441 2.094 . . . . 20.0 112.369 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 46.4 t -98.54 131.66 44.59 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.997 -0.547 . . . . 20.0 110.342 173.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.95 -14.82 3.06 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 116.514 -0.312 . . . . 20.0 111.568 -176.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 30.0 p -67.42 -21.34 65.57 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 122.19 0.196 . . . . 20.0 111.498 -177.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.5 pp -138.28 166.03 25.23 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 120.836 0.35 . . . . 20.0 110.822 177.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -88.74 107.68 19.08 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 116.216 -0.447 . . . . 20.0 111.569 -170.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 30.1 pt -145.35 170.99 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 CA-C-N 115.845 -0.616 . . . . 20.0 110.033 170.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -76.1 143.66 41.15 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 109.969 -0.382 . . . . 20.0 109.969 171.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -129.6 122.86 29.94 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.945 0.402 . . . . 20.0 110.557 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -67.24 156.36 36.51 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.861 -0.609 . . . . 20.0 111.138 -176.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.75 -12.15 61.41 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-N 116.245 -0.434 . . . . 20.0 111.785 -174.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -80.08 -16.59 54.68 Favored 'General case' 0 CA--C 1.555 1.154 0 O-C-N 122.498 -0.126 . . . . 20.0 111.335 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.07 -39.87 28.8 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 110.292 -0.262 . . . . 20.0 110.292 169.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 23.0 t -55.36 -70.01 0.12 Allowed 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.957 -0.565 . . . . 20.0 110.853 -175.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -156.79 137.81 13.54 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 120.742 0.306 . . . . 20.0 110.752 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.84 161.93 11.9 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 121.056 0.455 . . . . 20.0 111.304 -177.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 89.2 p . . . . . 0 N--CA 1.478 0.928 0 CA-C-N 115.925 -0.58 . . . . 20.0 110.988 178.918 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.654 0 O4'-C4'-C3' 107.733 2.133 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.721 0 O4'-C4'-C3' 108.757 3.157 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.535 0 O5'-C5'-C4' 113.971 2.694 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.54 0 O5'-C5'-C4' 115.16 3.543 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.356 0 P-O3'-C3' 123.352 3.044 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.377 0 O5'-C5'-C4' 114.618 3.156 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.637 4.374 0 O5'-C5'-C4' 115.717 3.941 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.024 0 P-O3'-C3' 122.996 2.746 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.219 0 C1'-O4'-C4' 104.329 -3.836 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.848 0 C5'-C4'-C3' 110.085 -3.077 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.23 0 P-O3'-C3' 123.425 3.104 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.07 0 C1'-O4'-C4' 106.285 -2.439 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.092 0 O4'-C4'-C3' 108.45 2.85 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.118 0 O4'-C4'-C3' 108.526 2.926 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.275 0 O4'-C4'-C3' 108.439 2.839 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.198 0 O4'-C4'-C3' 108.366 2.766 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.032 0 O4'-C4'-C3' 108.542 2.942 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.978 0 O4'-C4'-C3' 108.486 2.886 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.102 0 P-O3'-C3' 123.143 2.869 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.556 0 C1'-O4'-C4' 105.783 -2.798 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.638 0 O5'-C5'-C4' 113.988 2.706 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.344 0 O5'-C5'-C4' 113.811 2.579 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.734 0 O4'-C4'-C3' 108.702 3.102 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.547 0 O4'-C4'-C3' 108.678 3.078 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.759 0 O5'-C5'-C4' 115.67 3.907 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.977 0 C1'-O4'-C4' 104.611 -3.635 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.277 2 C3'-C2'-C1' 94.781 -5.656 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.586 0 O3'-P-O5' 98.264 -3.019 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.744 0 O5'-C5'-C4' 114.931 3.379 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.639 4.633 0 O5'-C5'-C4' 114.617 3.155 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.221 1 C1'-O4'-C4' 103.61 -4.35 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.644 2 P-O3'-C3' 125.616 4.93 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.959 0 O5'-C5'-C4' 115.281 3.629 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.587 0 P-O3'-C3' 123.279 2.983 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.447 0 P-O3'-C3' 123.083 2.819 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.593 0 O4'-C4'-C3' 108.602 3.002 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.505 0 O4'-C4'-C3' 108.52 2.92 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.187 0 P-O3'-C3' 122.967 2.722 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 703' ' ' ' ZN' . . . . . 0.617 'ZN ' ' SG ' ' A' ' 552' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.837 0 CA-C-O 120.914 0.388 . . . . 20.0 110.702 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -75.19 146.55 41.15 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 116.293 -0.412 . . . . 20.0 110.704 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -80.17 164.6 23.17 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 116.24 -0.437 . . . . 20.0 110.987 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 64.1 ttp85 -70.6 101.24 1.99 Allowed 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 116.086 -0.506 . . . . 20.0 110.645 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 41.4 tpp -160.03 156.71 27.43 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 116.065 -0.516 . . . . 20.0 110.417 -177.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -117.39 49.55 1.2 Allowed 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 120.901 0.381 . . . . 20.0 110.907 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 2.0 p -171.37 126.81 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 116.107 -0.497 . . . . 20.0 110.027 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -170.78 137.25 1.26 Allowed 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 116.51 -0.314 . . . . 20.0 110.275 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -158.61 79.47 0.8 Allowed 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 121.153 0.501 . . . . 20.0 111.405 173.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -108.47 -6.5 16.11 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 115.642 -0.708 . . . . 20.0 110.974 172.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 18.4 p30 -112.54 5.66 18.05 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 116.419 -0.355 . . . . 20.0 111.393 -176.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -161.16 174.93 12.94 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 120.935 0.398 . . . . 20.0 111.199 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -135.15 159.03 42.81 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.631 -0.713 . . . . 20.0 110.027 169.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 45.6 mp0 -104.61 129.19 52.75 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.968 0.413 . . . . 20.0 110.841 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 13.8 tp -126.34 111.87 15.01 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.896 -0.593 . . . . 20.0 110.163 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 27.7 mt -84.11 125.4 40.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 120.93 0.395 . . . . 20.0 110.748 -176.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 45.6 t -138.32 126.81 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 115.829 -0.623 . . . . 20.0 110.202 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 39.9 t0 50.64 38.04 17.98 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 121.01 0.433 . . . . 20.0 111.162 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 88.08 -21.88 21.69 Favored Glycine 0 CA--C 1.547 2.091 0 CA-C-N 116.18 -0.464 . . . . 20.0 113.054 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -89.87 138.56 31.39 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 116.905 0.353 . . . . 20.0 111.009 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 53.2 t -80.01 125.01 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.151 171.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -108.16 111.69 23.83 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.895 0.379 . . . . 20.0 110.393 175.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -79.87 122.12 26.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.172 -0.467 . . . . 20.0 110.304 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.9 mt -114.71 129.47 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 120.858 0.361 . . . . 20.0 110.89 -172.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 5.3 t -65.84 137.98 57.58 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.135 -0.484 . . . . 20.0 110.595 176.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 27.1 pt -70.56 -38.93 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 111.739 0.274 . . . . 20.0 111.739 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 44.7 t -60.92 -64.39 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-O 120.649 0.262 . . . . 20.0 111.665 -176.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 29.2 p -105.13 -5.67 20.58 Favored 'General case' 0 CA--C 1.557 1.227 0 N-CA-C 112.412 0.523 . . . . 20.0 112.412 -169.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 59.96 38.14 21.05 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 122.693 0.397 . . . . 20.0 111.78 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -81.22 131.45 35.3 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 109.99 -0.374 . . . . 20.0 109.99 169.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 29.9 p -96.1 143.31 27.35 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 120.982 0.42 . . . . 20.0 111.253 -175.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -133.49 135.41 44.44 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.65 -0.705 . . . . 20.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 57.2 t -75.28 -17.22 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 CA-C-N 116.016 -0.538 . . . . 20.0 110.949 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 71.2 m -135.39 136.68 41.64 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.427 -0.352 . . . . 20.0 110.888 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 14.7 mt -55.49 -35.7 65.85 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 116.349 -0.387 . . . . 20.0 110.793 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 32.7 p -52.02 -45.31 64.56 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.534 -0.303 . . . . 20.0 110.978 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 19.2 m -66.26 -38.91 88.97 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.534 -0.303 . . . . 20.0 111.014 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.2 -47.59 81.91 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 116.499 -0.319 . . . . 20.0 110.962 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -46.21 89.45 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 120.774 0.321 . . . . 20.0 110.257 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -51.38 -47.46 62.85 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.85 -0.614 . . . . 20.0 110.839 172.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -71.14 -45.01 64.4 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 116.24 -0.436 . . . . 20.0 111.519 -173.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -60.95 -24.7 66.28 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 120.549 0.214 . . . . 20.0 111.287 -173.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -22.0 60.3 Favored 'General case' 0 CA--C 1.562 1.41 0 CA-C-N 116.679 -0.237 . . . . 20.0 111.306 175.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 32.0 mt -77.72 -19.56 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 122.352 0.261 . . . . 20.0 111.13 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -96.11 -44.27 7.38 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.623 0.249 . . . . 20.0 110.88 177.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 84.5 p -78.59 -34.19 46.98 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.506 -0.316 . . . . 20.0 111.345 -176.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 52.6 m95 51.9 34.69 14.01 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-O 121.107 0.479 . . . . 20.0 110.915 -173.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -69.52 -31.32 69.47 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 116.033 -0.53 . . . . 20.0 111.318 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -123.24 133.16 54.22 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 116.508 -0.314 . . . . 20.0 110.547 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -100.75 145.36 28.6 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.067 -0.515 . . . . 20.0 110.833 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -126.94 79.87 72.1 Favored Pre-proline 0 CA--C 1.55 0.967 0 CA-C-N 115.971 -0.558 . . . . 20.0 110.428 173.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.62 151.18 32.2 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.704 2.269 . . . . 20.0 112.533 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 43.9 t -86.64 142.64 28.09 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 116.079 -0.51 . . . . 20.0 110.772 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.14 -34.91 64.03 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 116.583 -0.281 . . . . 20.0 111.143 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -84.91 -26.6 27.16 Favored 'General case' 0 CA--C 1.557 1.219 0 CA-C-N 116.312 -0.403 . . . . 20.0 111.926 -171.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.9 p -140.03 160.41 39.98 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 120.862 0.363 . . . . 20.0 110.871 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -85.8 32.25 0.6 Allowed 'General case' 0 CA--C 1.563 1.443 0 CA-C-N 116.402 -0.363 . . . . 20.0 111.94 -170.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -94.39 163.57 13.37 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 120.829 0.347 . . . . 20.0 111.004 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 10.6 t -133.39 137.79 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 CA-C-N 115.99 -0.55 . . . . 20.0 110.964 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -106.97 152.11 40.86 Favored Pre-proline 0 CA--C 1.543 0.69 0 CA-C-N 115.977 -0.556 . . . . 20.0 110.754 176.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -83.03 -5.52 11.3 Favored 'Trans proline' 0 CA--C 1.551 1.348 0 C-N-CA 122.885 2.39 . . . . 20.0 112.629 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.4 mp -132.96 144.79 50.36 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.559 0.344 . . . . 20.0 110.506 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.29 91.45 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 116.312 -0.404 . . . . 20.0 111.057 176.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -61.92 -47.68 83.82 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.551 -0.295 . . . . 20.0 110.824 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -60.49 -35.56 76.22 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.457 -0.338 . . . . 20.0 110.766 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -59.28 5.6 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.288 -0.414 . . . . 20.0 110.342 171.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 96.0 m -57.1 -51.19 70.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.129 -0.487 . . . . 20.0 111.121 -172.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -61.21 -37.44 83.02 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.699 -0.228 . . . . 20.0 111.022 -177.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -68.92 -43.17 75.68 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.542 0.21 . . . . 20.0 110.928 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -65.46 -31.62 72.8 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 116.795 -0.184 . . . . 20.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 41.7 mt -62.1 -43.67 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 110.326 -0.25 . . . . 20.0 110.326 171.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -62.25 -32.71 73.44 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 116.502 -0.317 . . . . 20.0 110.906 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -72.26 -42.76 65.24 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 120.725 0.298 . . . . 20.0 110.936 173.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 10.6 m -76.28 -24.5 54.45 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 116.247 -0.433 . . . . 20.0 111.313 -173.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 84.74 8.92 82.07 Favored Glycine 0 CA--C 1.546 1.975 0 C-N-CA 121.62 -0.324 . . . . 20.0 112.923 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.79 121.65 14.52 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 117.007 0.403 . . . . 20.0 111.278 -176.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -83.09 137.14 34.22 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 116.269 -0.423 . . . . 20.0 110.214 170.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 9.9 ptm85 -129.76 -36.14 1.63 Allowed 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 116.43 -0.35 . . . . 20.0 111.53 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -94.96 108.92 20.98 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 110.491 -0.189 . . . . 20.0 110.491 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -103.63 129.47 50.93 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.768 0.318 . . . . 20.0 110.757 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 42.0 t -68.11 146.31 53.58 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.152 -0.476 . . . . 20.0 110.262 171.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 87.6 mt -102.53 -17.63 15.66 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 120.544 0.211 . . . . 20.0 111.367 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.05 -48.73 22.5 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-O 120.524 0.202 . . . . 20.0 111.128 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.4 p -120.06 -1.26 10.4 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 111.935 0.346 . . . . 20.0 111.935 -176.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 79.94 0.65 85.91 Favored Glycine 0 CA--C 1.554 2.523 0 C-N-CA 121.126 -0.559 . . . . 20.0 113.453 172.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -70.14 139.08 52.38 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 117.351 0.576 . . . . 20.0 111.008 -177.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 21.4 m -105.16 144.6 31.73 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 116.321 -0.4 . . . . 20.0 111.094 -177.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -131.47 158.45 40.81 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 116.201 -0.454 . . . . 20.0 111.072 -175.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 5.7 tt -84.86 -26.28 6.82 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 CA-C-N 116.094 -0.503 . . . . 20.0 111.693 -172.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 41.2 p30 -153.82 172.78 16.81 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-O 120.864 0.364 . . . . 20.0 111.283 -178.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -67.82 -35.88 79.4 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.103 -0.499 . . . . 20.0 111.195 -175.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.2 mp0 -61.72 -48.52 80.38 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 116.515 -0.312 . . . . 20.0 111.005 -174.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -68.14 -44.33 76.29 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.633 -0.258 . . . . 20.0 110.868 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -56.81 -50.23 72.98 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 120.679 0.276 . . . . 20.0 111.072 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 36.6 t -58.73 -46.49 87.26 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.604 -0.271 . . . . 20.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 23.0 t -58.41 -41.19 84.39 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.757 0.313 . . . . 20.0 111.105 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -63.32 -50.6 69.37 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.542 -0.299 . . . . 20.0 111.159 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 63.5 mt -64.75 -37.66 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-O 120.534 0.207 . . . . 20.0 110.598 -176.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -64.71 -46.68 81.28 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.681 -0.236 . . . . 20.0 111.163 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 23.7 p -77.48 -33.08 54.64 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 111.711 0.263 . . . . 20.0 111.711 -174.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 69.2 t -95.18 -50.46 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 111.457 0.169 . . . . 20.0 111.457 -173.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -100.08 -1.19 37.47 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-N 116.656 -0.247 . . . . 20.0 111.658 -172.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 36.4 m 56.89 35.83 26.9 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 122.606 0.362 . . . . 20.0 111.285 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -139.83 160.85 38.96 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.283 -0.417 . . . . 20.0 110.513 177.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -113.59 137.91 22.38 Favored Pre-proline 0 CA--C 1.551 1.017 0 CA-C-N 116.415 -0.357 . . . . 20.0 110.389 177.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -66.5 -18.86 54.96 Favored 'Trans proline' 0 CA--C 1.549 1.27 0 C-N-CA 122.586 2.191 . . . . 20.0 112.515 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 8.5 t -73.41 -10.67 59.98 Favored 'General case' 0 CA--C 1.556 1.211 0 CA-C-N 116.358 -0.383 . . . . 20.0 111.26 177.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -76.57 -162.63 14.59 Favored Glycine 0 CA--C 1.543 1.826 0 C-N-CA 121.655 -0.307 . . . . 20.0 112.437 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -106.55 29.79 6.6 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 120.758 0.313 . . . . 20.0 111.326 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 68.4 m -97.61 -36.0 10.42 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 116.484 -0.325 . . . . 20.0 111.115 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt 58.3 73.79 0.46 Allowed 'General case' 0 N--CA 1.5 2.049 0 CA-C-O 121.199 0.523 . . . . 20.0 110.677 -175.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 2.4 mt -101.48 17.77 21.9 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 115.737 -0.665 . . . . 20.0 111.608 -170.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -148.75 164.19 35.11 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 120.95 0.405 . . . . 20.0 111.332 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -139.42 146.05 39.65 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.84 -0.618 . . . . 20.0 110.52 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -103.48 124.57 49.0 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.892 0.377 . . . . 20.0 110.817 -177.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -99.49 151.0 37.28 Favored Pre-proline 0 CA--C 1.556 1.21 0 CA-C-N 116.071 -0.513 . . . . 20.0 110.552 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.5 146.09 65.41 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.793 2.329 . . . . 20.0 113.023 -175.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 43.0 t -85.25 119.37 25.56 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.981 -0.554 . . . . 20.0 110.042 170.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -134.17 -10.57 2.58 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 112.016 0.376 . . . . 20.0 112.016 -171.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 24.7 m -74.14 -19.08 60.69 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 111.597 0.221 . . . . 20.0 111.597 -174.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.3 pp -139.85 167.25 22.55 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 120.769 0.319 . . . . 20.0 110.809 176.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -78.41 113.42 16.39 Favored 'General case' 0 CA--C 1.556 1.207 0 CA-C-N 116.112 -0.495 . . . . 20.0 111.624 -170.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 23.0 pt -144.09 168.58 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 CA-C-N 115.861 -0.608 . . . . 20.0 110.204 173.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -69.25 141.56 54.38 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 110.056 -0.349 . . . . 20.0 110.056 170.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -112.0 91.5 3.68 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.007 0.432 . . . . 20.0 110.669 -173.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -56.22 142.74 36.19 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.83 -0.623 . . . . 20.0 110.993 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -65.51 -15.89 63.13 Favored 'General case' 0 CA--C 1.559 1.294 0 CA-C-N 116.443 -0.344 . . . . 20.0 111.902 -175.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -80.04 -19.04 48.54 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 122.398 -0.189 . . . . 20.0 111.103 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.14 -32.62 16.58 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 120.766 0.317 . . . . 20.0 110.632 169.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 1.5 t -73.58 -3.59 28.83 Favored 'General case' 0 CA--C 1.557 1.243 0 CA-C-N 116.252 -0.431 . . . . 20.0 111.717 -175.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -128.67 134.16 48.43 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 120.795 0.331 . . . . 20.0 110.601 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -139.12 142.55 38.07 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 116.222 -0.444 . . . . 20.0 111.074 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 N--CA 1.478 0.951 0 CA-C-N 116.07 -0.514 . . . . 20.0 110.912 179.007 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.155 0 O5'-C5'-C4' 114.139 2.814 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.679 0 O4'-C4'-C3' 108.549 2.949 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.477 0 O5'-C5'-C4' 113.997 2.712 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.568 0 O5'-C5'-C4' 115.255 3.611 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.13 0 P-O3'-C3' 123.594 3.245 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.841 0 O4'-C4'-C3' 108.617 3.017 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.687 0 O4'-C4'-C3' 109.289 3.689 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.825 0 O4'-C4'-C3' 108.853 3.253 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.519 0 C3'-C2'-C1' 98.078 -3.301 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.798 0 C5'-C4'-C3' 110.512 -2.792 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.511 0 P-O3'-C3' 123.896 3.496 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.384 0 P-O3'-C3' 123.117 2.847 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.358 0 P-O3'-C3' 123.001 2.751 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.653 0 P-O3'-C3' 123.914 3.512 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.415 0 P-O3'-C3' 123.099 2.833 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.606 0 O5'-C5'-C4' 114.412 3.008 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.425 0 O4'-C4'-C3' 108.864 3.264 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.556 0 O4'-C4'-C3' 109.025 3.425 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.339 0 C1'-O4'-C4' 105.94 -2.686 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.659 0 C1'-O4'-C4' 105.893 -2.719 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.729 0 O5'-C5'-C4' 113.962 2.687 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.449 0 O4'-C4'-C3' 108.285 2.685 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.833 0 P-O3'-C3' 123.354 3.045 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.983 0 O5'-C5'-C4' 114.26 2.9 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.257 0 O5'-C5'-C4' 114.39 2.993 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.437 0 O5'-C5'-C4' 115.058 3.47 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.904 1 C3'-C2'-C1' 95.291 -5.292 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.757 0 P-O3'-C3' 122.918 2.682 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.244 0 C3'-C2'-C1' 105.74 2.171 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.036 1 O5'-C5'-C4' 117.857 5.469 . . . . 20.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.032 0 C1'-O4'-C4' 105.806 -2.781 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.453 0 O5'-C5'-C4' 113.785 2.561 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.732 0 O5'-C5'-C4' 114.623 3.159 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.344 0 P-O3'-C3' 123.116 2.847 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.391 0 P-O3'-C3' 123.132 2.86 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.793 0 O4'-C4'-C3' 108.711 3.111 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.697 0 O4'-C4'-C3' 108.641 3.041 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.154 0 P-O3'-C3' 122.879 2.649 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.775 0 CA-C-O 120.852 0.358 . . . . 20.0 110.834 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -77.82 151.45 33.96 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 116.234 -0.439 . . . . 20.0 110.814 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -148.76 146.49 28.08 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 116.203 -0.453 . . . . 20.0 110.627 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 9.4 ptp85 -149.71 151.59 33.91 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 116.263 -0.426 . . . . 20.0 110.847 178.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -143.39 142.47 31.26 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 116.317 -0.401 . . . . 20.0 110.931 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -47.0 117.56 1.74 Allowed 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 116.202 -0.454 . . . . 20.0 111.521 -176.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 8.5 p -144.18 151.79 15.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 CA-C-N 115.63 -0.714 . . . . 20.0 110.542 -178.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -111.49 159.0 18.5 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 116.443 -0.344 . . . . 20.0 110.898 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -139.42 166.05 25.6 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 116.256 -0.429 . . . . 20.0 110.993 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -80.03 60.03 3.44 Favored 'General case' 0 CA--C 1.557 1.241 0 CA-C-N 116.178 -0.465 . . . . 20.0 110.691 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 10.9 p30 -109.79 0.57 18.87 Favored 'General case' 0 CA--C 1.556 1.196 0 CA-C-N 116.066 -0.515 . . . . 20.0 111.084 -176.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -160.21 173.82 15.16 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.51 0.324 . . . . 20.0 110.658 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -133.87 153.92 51.41 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.143 -0.48 . . . . 20.0 110.321 169.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -108.21 141.7 39.56 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.072 0.463 . . . . 20.0 110.999 -174.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 17.3 tp -137.04 115.46 11.85 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.719 -0.673 . . . . 20.0 110.321 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 33.2 mt -85.74 121.84 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-O 120.92 0.39 . . . . 20.0 110.542 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 42.3 t -137.0 129.04 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 115.817 -0.629 . . . . 20.0 110.12 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.74 36.13 20.36 Favored 'General case' 0 CA--C 1.565 1.538 0 CA-C-O 120.954 0.406 . . . . 20.0 111.227 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 78.89 5.13 88.79 Favored Glycine 0 CA--C 1.549 2.188 0 CA-C-N 116.375 -0.375 . . . . 20.0 112.862 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -113.19 137.27 51.72 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.511 0.325 . . . . 20.0 110.68 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 81.0 t -79.98 120.33 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 N-CA-C 110.249 -0.278 . . . . 20.0 110.249 174.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -101.88 151.42 22.11 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.218 172.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -116.51 127.22 54.34 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.215 -0.448 . . . . 20.0 109.978 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.3 mt -120.69 131.65 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.02 0.438 . . . . 20.0 111.206 -169.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 11.6 t -68.52 136.52 53.27 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.897 -0.592 . . . . 20.0 110.762 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 16.8 pt -68.62 -40.04 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 116.678 -0.237 . . . . 20.0 111.487 -176.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 49.1 t -60.89 -65.42 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 N-CA-C 111.929 0.344 . . . . 20.0 111.929 -176.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.7 p -105.11 -4.57 21.71 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 112.541 0.571 . . . . 20.0 112.541 -169.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 62.7 mttp 60.77 35.28 19.61 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 122.629 0.372 . . . . 20.0 111.891 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -71.89 129.65 39.11 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 110.003 -0.369 . . . . 20.0 110.003 169.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 30.8 p -95.33 144.98 25.43 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 120.958 0.409 . . . . 20.0 111.179 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . 0.448 ' HH ' ' CG ' ' A' ' 512' ' ' HIS . 82.2 m-85 -140.23 144.34 36.46 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.854 -0.612 . . . . 20.0 111.128 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 82.1 t -82.04 -17.21 11.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-N 115.946 -0.57 . . . . 20.0 110.84 175.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 59.6 m -135.75 135.15 39.73 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 120.826 0.346 . . . . 20.0 111.186 -177.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.87 -33.26 68.51 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 116.295 -0.411 . . . . 20.0 110.841 175.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 24.0 p -52.62 -45.51 66.63 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 120.707 0.289 . . . . 20.0 110.899 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 18.3 m -66.63 -41.43 88.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.425 -0.352 . . . . 20.0 110.924 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 6.3 tp -62.13 -47.06 86.26 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 116.43 -0.35 . . . . 20.0 111.013 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -46.73 84.34 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 120.642 0.258 . . . . 20.0 110.679 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -56.0 -40.58 73.55 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 116.211 -0.45 . . . . 20.0 110.929 175.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . 0.448 ' CG ' ' HH ' ' A' ' 503' ' ' TYR . 5.9 t60 -71.51 -45.15 63.21 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 116.471 -0.331 . . . . 20.0 111.426 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -59.74 -23.41 63.18 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 111.554 0.205 . . . . 20.0 111.554 -173.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.92 -26.4 62.16 Favored 'General case' 0 CA--C 1.562 1.442 0 C-N-CA 122.184 0.194 . . . . 20.0 110.989 175.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 35.1 mt -74.9 -20.15 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 122.482 0.313 . . . . 20.0 111.13 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -95.46 -44.76 7.39 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.641 0.258 . . . . 20.0 110.882 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 91.8 p -71.95 -37.06 70.04 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.437 -0.347 . . . . 20.0 111.324 -176.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 73.5 m95 50.35 31.57 5.47 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 121.195 0.522 . . . . 20.0 110.478 -169.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.3 -31.73 64.2 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.814 -0.63 . . . . 20.0 110.65 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -126.9 113.52 16.65 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.071 -0.513 . . . . 20.0 110.34 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -93.69 151.01 19.94 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 116.284 -0.416 . . . . 20.0 110.926 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -128.22 80.24 72.63 Favored Pre-proline 0 CA--C 1.552 1.039 0 CA-C-N 116.049 -0.523 . . . . 20.0 110.5 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -69.52 141.27 45.76 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.834 2.356 . . . . 20.0 112.395 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 53.4 t -74.98 143.06 43.81 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.278 -0.419 . . . . 20.0 110.608 174.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -76.07 -39.59 55.05 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 120.772 0.32 . . . . 20.0 111.031 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -84.32 -20.88 31.33 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-N 116.033 -0.531 . . . . 20.0 111.979 -169.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.9 p -142.27 163.42 32.9 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 120.791 0.329 . . . . 20.0 110.677 174.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -87.41 28.98 0.9 Allowed 'General case' 0 CA--C 1.562 1.434 0 N-CA-C 112.269 0.47 . . . . 20.0 112.269 -169.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.14 163.67 13.37 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 120.864 0.364 . . . . 20.0 111.103 176.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 21.3 t -128.53 138.44 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 116.025 -0.534 . . . . 20.0 110.851 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -106.44 150.84 40.0 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 116.028 -0.533 . . . . 20.0 110.605 175.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -86.23 -5.68 8.42 Favored 'Trans proline' 0 CA--C 1.55 1.285 0 C-N-CA 122.91 2.407 . . . . 20.0 112.617 176.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.8 mp -132.18 140.92 48.91 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.581 0.352 . . . . 20.0 110.106 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.04 94.24 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 120.634 0.254 . . . . 20.0 111.016 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.0 -39.53 93.58 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 116.667 -0.242 . . . . 20.0 111.052 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -59.71 -39.18 83.77 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 120.447 0.165 . . . . 20.0 110.605 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -50.77 69.56 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.548 -0.296 . . . . 20.0 110.504 173.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 37.7 m -53.61 -51.34 63.36 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 116.629 -0.259 . . . . 20.0 111.055 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -58.24 -38.26 76.53 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 120.578 0.227 . . . . 20.0 111.096 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -70.32 -40.96 73.88 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 120.581 0.229 . . . . 20.0 111.052 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -68.94 -27.93 66.19 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-O 120.556 0.217 . . . . 20.0 110.786 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 14.3 mt -66.01 -30.42 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 116.552 -0.295 . . . . 20.0 110.382 169.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -74.98 -28.65 60.64 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.281 -0.418 . . . . 20.0 111.125 175.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -76.2 -41.76 48.42 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 120.788 0.327 . . . . 20.0 110.908 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 18.6 p -82.21 -16.81 48.32 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 116.221 -0.445 . . . . 20.0 111.433 -176.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 78.94 14.56 81.87 Favored Glycine 0 CA--C 1.544 1.863 0 C-N-CA 121.522 -0.371 . . . . 20.0 112.801 175.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.7 109.82 1.53 Allowed 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.863 0.363 . . . . 20.0 111.0 -177.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -97.07 96.69 8.64 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.297 -0.41 . . . . 20.0 110.519 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 -95.61 -24.34 16.62 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 115.975 -0.557 . . . . 20.0 111.928 -171.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -88.02 93.88 9.62 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.842 0.353 . . . . 20.0 110.471 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -95.39 128.94 42.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.299 -0.41 . . . . 20.0 110.918 -176.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 44.5 t -69.16 146.97 52.01 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.046 -0.525 . . . . 20.0 109.898 170.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 95.6 mt -103.79 -16.58 15.38 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 116.762 -0.199 . . . . 20.0 111.235 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.06 -48.49 23.67 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 116.655 -0.248 . . . . 20.0 111.17 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.9 p -120.01 -3.49 10.14 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 111.97 0.359 . . . . 20.0 111.97 -175.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 82.5 -3.13 83.51 Favored Glycine 0 CA--C 1.556 2.65 0 C-N-CA 121.1 -0.571 . . . . 20.0 113.513 172.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -69.74 139.9 53.39 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 117.379 0.59 . . . . 20.0 111.04 -176.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 19.7 m -104.69 144.71 31.36 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 116.343 -0.389 . . . . 20.0 111.344 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -132.1 161.41 33.35 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.957 -0.565 . . . . 20.0 110.677 -179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -83.83 -24.52 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 N-CA-C 111.989 0.366 . . . . 20.0 111.989 -169.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 34.6 p30 -152.67 173.55 15.09 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 120.978 0.418 . . . . 20.0 111.432 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -65.58 -35.82 81.94 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.972 -0.558 . . . . 20.0 111.131 -176.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -63.05 -44.11 96.74 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 116.393 -0.367 . . . . 20.0 110.91 -174.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -69.33 -47.83 63.27 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.543 -0.299 . . . . 20.0 111.114 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -40.3 95.99 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 120.489 0.185 . . . . 20.0 110.838 -177.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 47.1 t -63.32 -46.97 84.19 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.745 -0.207 . . . . 20.0 110.71 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 21.7 t -60.64 -38.0 83.36 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.895 0.379 . . . . 20.0 110.994 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -65.1 -47.59 76.67 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.427 -0.351 . . . . 20.0 110.969 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 73.8 mt -63.98 -44.47 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 120.461 0.172 . . . . 20.0 111.015 -176.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -65.53 -37.14 85.87 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 121.342 -0.143 . . . . 20.0 111.267 -176.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 78.7 p -89.87 -28.52 19.19 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 111.905 0.335 . . . . 20.0 111.905 -171.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 70.6 t -95.46 -48.86 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 CA-C-O 120.548 0.213 . . . . 20.0 111.161 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -100.02 -4.94 28.92 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 116.557 -0.292 . . . . 20.0 111.561 -173.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 45.0 m 55.25 38.37 30.28 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 122.572 0.349 . . . . 20.0 111.401 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -130.83 165.63 22.6 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 120.936 0.398 . . . . 20.0 111.134 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -109.09 115.36 56.97 Favored Pre-proline 0 CA--C 1.556 1.187 0 CA-C-N 116.002 -0.544 . . . . 20.0 110.653 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -70.46 -15.38 34.46 Favored 'Trans proline' 0 CA--C 1.551 1.354 0 C-N-CA 122.479 2.119 . . . . 20.0 112.836 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 28.4 t -83.98 2.01 40.93 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 116.765 -0.198 . . . . 20.0 111.266 177.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -84.6 -139.92 4.62 Favored Glycine 0 CA--C 1.542 1.748 0 N-CA-C 112.433 -0.267 . . . . 20.0 112.433 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -120.09 29.7 7.38 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-O 120.965 0.412 . . . . 20.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 22.5 m -109.2 0.79 19.88 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 116.285 -0.416 . . . . 20.0 111.415 -176.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 8.8 mptt 21.19 74.67 0.02 OUTLIER 'General case' 0 N--CA 1.514 2.769 0 O-C-N 123.662 0.601 . . . . 20.0 112.601 -175.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 17.2 mt -91.43 9.75 30.46 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 116.526 -0.306 . . . . 20.0 111.772 -175.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -144.68 155.79 43.76 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.043 0.449 . . . . 20.0 111.343 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -132.78 134.29 44.52 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.695 -0.684 . . . . 20.0 110.083 175.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -103.8 111.82 24.5 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 120.941 0.4 . . . . 20.0 110.769 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -85.95 158.17 56.35 Favored Pre-proline 0 CA--C 1.555 1.149 0 CA-C-N 116.125 -0.488 . . . . 20.0 110.969 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -64.9 158.52 50.85 Favored 'Trans proline' 0 CA--C 1.546 1.096 0 C-N-CA 122.376 2.051 . . . . 20.0 112.147 174.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 27.0 t -93.32 126.85 38.66 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 116.31 -0.404 . . . . 20.0 110.382 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -116.36 -18.98 10.34 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 116.571 -0.286 . . . . 20.0 111.525 -176.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 39.4 m -69.48 -23.1 63.59 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 111.6 0.222 . . . . 20.0 111.6 -175.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.2 pp -145.1 163.56 33.93 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 120.767 0.318 . . . . 20.0 110.945 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -83.25 119.47 24.61 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 116.208 -0.451 . . . . 20.0 111.523 -170.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 25.9 pt -144.52 169.44 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-N 115.767 -0.652 . . . . 20.0 110.085 173.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -72.39 137.82 46.79 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 110.09 -0.337 . . . . 20.0 110.09 171.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -112.04 96.22 5.92 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.152 -0.476 . . . . 20.0 110.7 -171.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -65.73 153.35 42.02 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 116.012 -0.54 . . . . 20.0 111.134 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.06 -13.34 62.38 Favored 'General case' 0 CA--C 1.559 1.3 0 CA-C-N 116.024 -0.535 . . . . 20.0 111.966 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -80.37 -24.09 40.01 Favored 'General case' 0 CA--C 1.554 1.105 0 O-C-N 122.387 -0.195 . . . . 20.0 111.114 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.73 -30.62 36.22 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 120.93 0.395 . . . . 20.0 110.201 169.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 7.1 t -73.79 4.13 5.61 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-N 115.874 -0.603 . . . . 20.0 111.434 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -57.47 147.07 27.6 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-O 121.023 0.44 . . . . 20.0 111.06 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -138.55 146.94 42.49 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 116.079 -0.509 . . . . 20.0 110.661 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 N--CA 1.478 0.973 0 CA-C-N 116.21 -0.45 . . . . 20.0 110.83 178.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.142 0 O5'-C5'-C4' 114.176 2.84 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.646 0 O4'-C4'-C3' 108.518 2.918 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.599 0 O5'-C5'-C4' 114.018 2.727 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.666 0 O5'-C5'-C4' 115.015 3.44 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.221 0 O5'-C5'-C4' 114.599 3.142 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.586 0 P-O3'-C3' 124.031 3.61 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.591 0 O4'-C4'-C3' 108.968 3.368 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.111 0 P-O3'-C3' 122.971 2.726 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.888 1 C3'-C2'-C1' 96.368 -4.523 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.018 0 O3'-P-O5' 98.11 -3.1 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.647 0 P-O3'-C3' 123.607 3.256 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.093 0 P-O3'-C3' 122.808 2.59 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.355 0 O4'-C4'-C3' 108.529 2.929 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.416 0 O4'-C4'-C3' 108.838 3.238 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.335 0 O4'-C4'-C3' 108.491 2.891 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.528 0 P-O3'-C3' 123.244 2.953 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.437 1 O5'-C5'-C4' 116.417 4.44 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 0 O4'-C4'-C3' 108.894 3.294 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.3 0 C1'-O4'-C4' 106.261 -2.456 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.949 0 O4'-C4'-C3' 108.596 2.996 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.666 0 O5'-C5'-C4' 113.897 2.641 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.448 0 O4'-C4'-C3' 108.41 2.81 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.652 0 P-O3'-C3' 123.434 3.111 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.592 0 O5'-C5'-C4' 114.48 3.057 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.387 0 O4'-C4'-C3' 108.589 2.989 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.643 1 O5'-C5'-C4' 115.815 4.011 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.658 2 C3'-C2'-C1' 94.683 -5.727 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.611 0 O4'-C4'-C3' 108.792 3.192 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.895 0 O4'-C4'-C3' 109.141 3.541 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.72 0 O4'-C4'-C3' 108.747 3.147 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.345 0 C1'-O4'-C4' 105.081 -3.299 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.316 0 P-O3'-C3' 124.456 3.963 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.334 0 O4'-C4'-C3' 108.883 3.283 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.362 0 P-O3'-C3' 123.531 3.192 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.316 0 P-O3'-C3' 123.12 2.85 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.68 0 O4'-C4'-C3' 108.694 3.094 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.635 0 O4'-C4'-C3' 108.525 2.925 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.323 0 P-O3'-C3' 122.828 2.607 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.654 0 CA-C-O 120.777 0.322 . . . . 20.0 110.531 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -146.09 145.34 30.5 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.374 -0.375 . . . . 20.0 111.079 -175.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -84.85 147.91 26.56 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 121.019 0.438 . . . . 20.0 110.892 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.29 89.06 2.47 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 115.596 -0.729 . . . . 20.0 110.839 -175.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 43.8 tpp -149.7 144.78 26.32 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.644 -0.707 . . . . 20.0 110.258 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -113.18 84.68 2.04 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 121.109 0.481 . . . . 20.0 110.682 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 28.5 m -141.44 152.31 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 115.73 -0.668 . . . . 20.0 110.8 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -73.98 95.22 2.46 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 116.246 -0.434 . . . . 20.0 110.263 175.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -65.28 126.0 26.8 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.145 -0.479 . . . . 20.0 111.037 -174.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -96.88 26.08 4.86 Favored 'General case' 0 CA--C 1.557 1.243 0 CA-C-N 116.136 -0.484 . . . . 20.0 110.846 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 25.6 p30 -86.83 11.19 13.84 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.255 -0.429 . . . . 20.0 111.194 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -160.22 176.2 12.02 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 120.866 0.365 . . . . 20.0 111.108 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -136.61 158.51 44.27 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.811 -0.631 . . . . 20.0 110.294 169.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -98.57 142.32 30.3 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.91 0.386 . . . . 20.0 110.864 -177.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.2 tp -140.84 111.51 6.94 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.059 -0.519 . . . . 20.0 110.411 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 24.1 mt -81.61 124.61 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 120.884 0.373 . . . . 20.0 110.653 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 44.0 t -138.43 126.61 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 115.859 -0.61 . . . . 20.0 110.235 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 40.2 t0 50.09 40.65 22.12 Favored 'General case' 0 CA--C 1.564 1.484 0 CA-C-O 121.056 0.455 . . . . 20.0 111.2 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.7 -24.24 11.02 Favored Glycine 0 CA--C 1.547 2.081 0 CA-C-N 116.228 -0.442 . . . . 20.0 112.948 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -87.98 140.66 29.27 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 116.908 0.354 . . . . 20.0 111.024 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 59.8 t -83.07 117.81 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 116.378 -0.374 . . . . 20.0 110.064 170.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -95.92 157.17 16.02 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.405 -0.361 . . . . 20.0 110.263 172.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -123.38 125.09 44.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 20.0 110.122 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.1 mt -118.71 128.51 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-O 120.929 0.395 . . . . 20.0 111.152 -170.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 7.1 t -65.84 137.37 57.16 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.098 -0.501 . . . . 20.0 110.888 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 34.0 pt -68.58 -40.04 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 111.681 0.252 . . . . 20.0 111.681 -177.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.82 -64.2 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-O 120.739 0.304 . . . . 20.0 111.796 -175.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.1 p -105.18 -4.94 21.17 Favored 'General case' 0 CA--C 1.557 1.243 0 N-CA-C 112.383 0.512 . . . . 20.0 112.383 -169.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 58.13 40.71 24.83 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 122.643 0.377 . . . . 20.0 111.682 -176.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 63.3 mtt85 -83.86 132.65 34.78 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 116.318 -0.401 . . . . 20.0 110.088 169.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 29.6 p -96.47 146.43 24.8 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 121.035 0.445 . . . . 20.0 111.379 -175.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -138.21 138.41 38.51 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.685 -0.688 . . . . 20.0 110.725 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 79.0 t -76.77 -17.75 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 116.139 -0.482 . . . . 20.0 110.895 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 74.8 m -133.3 135.72 45.03 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.813 0.339 . . . . 20.0 111.032 -178.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 19.9 mt -58.96 -33.7 70.95 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 116.271 -0.422 . . . . 20.0 110.977 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 33.0 p -56.91 -42.1 79.32 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 120.619 0.247 . . . . 20.0 110.973 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 14.5 m -65.57 -39.44 91.66 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.507 -0.315 . . . . 20.0 110.813 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.0 tp -63.67 -42.82 98.0 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 116.419 -0.355 . . . . 20.0 110.936 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -62.35 -44.31 96.77 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 110.256 -0.276 . . . . 20.0 110.256 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -57.23 -44.27 83.65 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 115.951 -0.568 . . . . 20.0 110.817 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -69.27 -49.39 56.5 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.27 -0.423 . . . . 20.0 111.318 -175.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -61.99 -20.96 64.44 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 116.846 -0.161 . . . . 20.0 111.386 -172.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -21.77 61.67 Favored 'General case' 0 CA--C 1.56 1.333 0 CA-C-O 120.552 0.215 . . . . 20.0 111.177 174.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 30.7 mt -79.15 -20.87 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-O 120.657 0.265 . . . . 20.0 111.024 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -95.04 -37.52 11.08 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.627 0.251 . . . . 20.0 110.939 177.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 88.7 p -83.29 -33.58 25.94 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.451 -0.34 . . . . 20.0 111.458 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 64.7 m95 50.26 40.15 21.65 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 121.261 0.553 . . . . 20.0 110.464 -169.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -64.67 -30.29 71.31 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.805 -0.634 . . . . 20.0 110.907 177.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -136.53 123.56 21.54 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.269 -0.423 . . . . 20.0 110.636 177.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -91.31 145.39 24.69 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.193 -0.458 . . . . 20.0 110.248 171.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' TYR . . . . . 0.417 ' CE1' ' HB3' ' A' ' 534' ' ' ALA . 86.3 m-85 -123.97 79.93 57.58 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 116.186 -0.461 . . . . 20.0 110.301 176.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.63 135.75 16.49 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.766 2.311 . . . . 20.0 112.318 -178.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 52.7 t -68.57 148.13 50.96 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.891 -0.595 . . . . 20.0 110.654 176.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -79.56 -38.25 34.55 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 116.396 -0.365 . . . . 20.0 110.861 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -85.77 -20.87 28.59 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 116.373 -0.376 . . . . 20.0 111.867 -170.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 14.6 p -142.58 167.98 20.8 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.848 0.356 . . . . 20.0 110.8 175.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.66 8.57 7.7 Favored 'General case' 0 CA--C 1.564 1.507 0 N-CA-C 112.038 0.384 . . . . 20.0 112.038 -172.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -68.86 137.72 54.13 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 120.684 0.278 . . . . 20.0 111.125 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 13.2 t -115.75 138.07 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 116.162 -0.472 . . . . 20.0 110.695 173.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -111.08 152.49 43.74 Favored Pre-proline 0 CA--C 1.541 0.617 0 CA-C-N 116.004 -0.544 . . . . 20.0 110.629 175.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -86.48 -1.57 8.37 Favored 'Trans proline' 0 CA--C 1.559 1.725 0 C-N-CA 123.015 2.476 . . . . 20.0 112.504 172.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 7.4 mp -131.67 143.18 50.1 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.696 0.399 . . . . 20.0 110.168 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . 0.417 ' HB3' ' CE1' ' A' ' 522' ' ' TYR . . . -71.41 -43.66 66.37 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 120.612 0.244 . . . . 20.0 111.165 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -59.48 -35.87 74.94 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 120.628 0.252 . . . . 20.0 110.889 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -64.13 -37.85 88.96 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.543 -0.299 . . . . 20.0 110.888 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -49.5 76.81 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.009 0.433 . . . . 20.0 110.241 174.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 90.8 m -61.9 -56.86 14.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.816 -0.629 . . . . 20.0 111.06 -175.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -59.5 -35.04 73.38 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.705 -0.225 . . . . 20.0 111.119 -177.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -67.79 -46.16 72.75 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-O 120.68 0.276 . . . . 20.0 111.004 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -68.72 -27.38 65.88 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.725 -0.216 . . . . 20.0 111.19 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 21.4 mt -63.96 -32.32 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-O 120.554 0.216 . . . . 20.0 110.523 170.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -76.98 -28.61 55.17 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 116.538 -0.301 . . . . 20.0 111.082 177.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -72.27 -42.02 66.04 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 120.677 0.275 . . . . 20.0 110.899 174.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 28.7 p -85.36 -14.15 47.29 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 116.493 -0.322 . . . . 20.0 111.638 -174.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 74.14 14.89 80.19 Favored Glycine 0 CA--C 1.543 1.828 0 C-N-CA 121.407 -0.425 . . . . 20.0 112.518 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.511 ' HG2' ' HG ' ' A' ' 589' ' ' CYS . 5.3 tp10 -57.62 115.81 3.01 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 120.888 0.375 . . . . 20.0 111.082 -175.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 60.9 mmt-85 -72.55 144.66 47.85 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 116.241 -0.436 . . . . 20.0 110.416 176.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 58.9 ttt85 -134.83 -60.83 0.77 Allowed 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 116.049 -0.523 . . . . 20.0 111.187 -171.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -89.61 108.38 19.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.366 . . . . 20.0 110.664 -176.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -92.54 120.02 32.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 20.0 110.592 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 41.8 t -65.43 146.56 54.73 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 110.053 -0.351 . . . . 20.0 110.053 172.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 94.5 mt -108.42 -18.95 13.62 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.531 -0.304 . . . . 20.0 111.288 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.14 -50.09 17.43 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.666 -0.243 . . . . 20.0 111.305 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 29.2 p -120.08 0.91 10.83 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 112.032 0.382 . . . . 20.0 112.032 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 80.03 3.58 89.49 Favored Glycine 0 CA--C 1.556 2.646 0 C-N-CA 120.9 -0.667 . . . . 20.0 113.616 171.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -73.81 137.85 44.11 Favored 'General case' 0 N--CA 1.488 1.425 0 CA-C-N 117.553 0.677 . . . . 20.0 110.994 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 4.5 m -100.8 140.99 34.3 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 116.232 -0.44 . . . . 20.0 110.974 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -124.27 153.91 41.01 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 120.96 0.409 . . . . 20.0 111.048 -177.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 8.8 tt -85.8 -29.61 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 116.041 -0.527 . . . . 20.0 111.627 -172.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -147.32 168.94 20.51 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 120.975 0.417 . . . . 20.0 111.012 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -67.78 -34.74 77.37 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.044 -0.525 . . . . 20.0 111.164 -172.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -63.48 -44.0 95.69 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 116.424 -0.353 . . . . 20.0 110.894 -175.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -67.6 -47.19 70.42 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.407 -0.36 . . . . 20.0 110.679 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 4.6 ttp -55.27 -47.32 75.65 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 120.713 0.292 . . . . 20.0 110.962 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 25.3 t -61.92 -47.82 83.19 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.394 -0.366 . . . . 20.0 110.808 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 29.9 t -58.25 -42.55 86.63 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.464 -0.335 . . . . 20.0 110.994 177.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -62.63 -51.27 67.92 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.332 -0.395 . . . . 20.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.05 -38.17 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-O 120.572 0.225 . . . . 20.0 110.749 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -68.87 -42.62 76.77 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.723 -0.217 . . . . 20.0 111.265 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 50.0 p -81.2 -33.03 33.24 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 111.892 0.33 . . . . 20.0 111.892 -174.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 70.7 t -95.01 -47.17 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 CA-C-O 120.416 0.151 . . . . 20.0 111.397 -172.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -100.11 -5.79 27.33 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 116.662 -0.245 . . . . 20.0 111.411 -174.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 33.8 m 56.89 38.61 29.52 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 120.782 0.325 . . . . 20.0 111.098 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -132.24 157.02 45.43 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.266 -0.425 . . . . 20.0 110.762 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -104.48 113.21 65.28 Favored Pre-proline 0 CA--C 1.551 1.004 0 CA-C-N 116.212 -0.449 . . . . 20.0 110.657 178.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -74.95 -14.85 21.14 Favored 'Trans proline' 0 CA--C 1.551 1.346 0 C-N-CA 122.598 2.199 . . . . 20.0 112.527 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 13.4 t -77.16 -15.19 59.62 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 116.602 -0.272 . . . . 20.0 111.075 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -81.5 -130.19 1.13 Allowed Glycine 0 CA--C 1.54 1.642 0 N-CA-C 112.321 -0.312 . . . . 20.0 112.321 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -120.0 29.84 7.32 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 120.929 0.395 . . . . 20.0 110.949 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 48.5 p -86.54 -44.37 11.99 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 116.383 -0.371 . . . . 20.0 111.109 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 59.22 73.23 0.49 Allowed 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.221 0.534 . . . . 20.0 110.773 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 12.3 mt -109.49 19.63 19.08 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.716 -0.675 . . . . 20.0 111.499 -172.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -147.28 162.93 37.94 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 120.952 0.406 . . . . 20.0 111.264 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -132.08 139.24 48.44 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.951 -0.568 . . . . 20.0 110.469 177.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.28 128.87 36.53 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 116.335 -0.393 . . . . 20.0 110.849 -175.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -112.65 154.09 44.82 Favored Pre-proline 0 N--CA 1.487 1.377 0 CA-C-N 116.552 -0.295 . . . . 20.0 110.985 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -70.77 156.67 60.27 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.672 2.248 . . . . 20.0 112.859 -174.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' CYS . . . . . 0.511 ' HG ' ' HG2' ' A' ' 547' ' ' GLU . 41.5 t -98.62 128.33 44.88 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 116.006 -0.543 . . . . 20.0 110.411 172.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -128.36 -16.46 4.41 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 116.353 -0.385 . . . . 20.0 111.662 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 96.3 p -62.33 -27.53 69.12 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 111.578 0.214 . . . . 20.0 111.578 -177.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.8 pp -137.72 163.41 31.38 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 120.889 0.376 . . . . 20.0 110.879 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -86.73 109.72 19.41 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 116.135 -0.484 . . . . 20.0 111.247 -171.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 26.7 pt -143.91 168.13 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 115.917 -0.583 . . . . 20.0 110.278 171.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -72.45 142.11 48.61 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.972 -0.381 . . . . 20.0 109.972 170.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -127.4 116.84 21.09 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.081 0.467 . . . . 20.0 110.743 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -67.53 158.28 32.34 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.65 -0.705 . . . . 20.0 111.176 -178.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.42 -9.99 56.02 Favored 'General case' 0 CA--C 1.56 1.333 0 CA-C-N 116.349 -0.387 . . . . 20.0 111.879 -176.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -77.19 -21.69 53.55 Favored 'General case' 0 CA--C 1.554 1.123 0 O-C-N 122.304 -0.248 . . . . 20.0 110.856 174.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.27 -31.07 48.88 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.846 -0.427 . . . . 20.0 109.846 169.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 66.3 m -72.86 6.23 2.71 Favored 'General case' 0 CA--C 1.562 1.429 0 CA-C-N 115.93 -0.577 . . . . 20.0 111.74 -177.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -51.76 138.82 22.8 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-O 120.999 0.428 . . . . 20.0 111.184 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -68.51 147.35 52.12 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 116.091 -0.504 . . . . 20.0 110.996 -177.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 N--CA 1.476 0.831 0 CA-C-N 116.145 -0.48 . . . . 20.0 110.881 178.237 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.097 0 O5'-C5'-C4' 114.16 2.829 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.717 0 O4'-C4'-C3' 108.566 2.966 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.494 0 O5'-C5'-C4' 114.121 2.801 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.503 0 O5'-C5'-C4' 115.123 3.516 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.011 0 P-O3'-C3' 123.466 3.138 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.91 0 O5'-C5'-C4' 114.708 3.22 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.378 0 O5'-C5'-C4' 115.625 3.875 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.589 0 O4'-C4'-C3' 109.084 3.484 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.417 0 C3'-C2'-C1' 98.17 -3.235 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.079 0 C5'-C4'-C3' 110.984 -2.477 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.67 0 P-O3'-C3' 123.894 3.495 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.582 0 P-O3'-C3' 122.768 2.557 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.549 0 O5'-C5'-C4' 114.972 3.408 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.647 0 P-O3'-C3' 123.2 2.917 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.685 0 O4'-C4'-C3' 108.647 3.047 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.808 0 O4'-C4'-C3' 109.122 3.522 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.095 1 O5'-C5'-C4' 115.902 4.073 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.721 0 C5'-C4'-C3' 110.418 -2.855 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.348 0 C1'-O4'-C4' 106.068 -2.594 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.601 0 C1'-O4'-C4' 106.024 -2.626 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.6 0 O5'-C5'-C4' 113.9 2.643 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.245 0 P-O3'-C3' 123.047 2.789 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.627 0 P-O3'-C3' 123.337 3.031 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.611 0 O4'-C4'-C3' 108.821 3.221 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.499 0 P-O3'-C3' 123.992 3.576 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.429 0 O5'-C5'-C4' 115.621 3.872 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.61 2 C3'-C2'-C1' 95.658 -5.03 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.412 -1.434 0 O3'-P-O5' 98.588 -2.849 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.751 0 C3'-C2'-C1' 105.552 2.037 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.564 0 O5'-C5'-C4' 115.653 3.895 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.099 0 O5'-C5'-C4' 115.522 3.801 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.743 0 O5'-C5'-C4' 115.023 3.445 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.775 0 O5'-C5'-C4' 114.999 3.428 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.291 0 P-O3'-C3' 123.041 2.784 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.433 0 P-O3'-C3' 123.168 2.89 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.653 0 O4'-C4'-C3' 108.698 3.098 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.665 0 O4'-C4'-C3' 108.555 2.955 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.345 0 P-O3'-C3' 122.87 2.641 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.887 0 CA-C-O 120.92 0.391 . . . . 20.0 110.965 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -71.73 146.63 48.03 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 116.208 -0.451 . . . . 20.0 110.783 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -152.74 158.25 42.03 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 116.223 -0.444 . . . . 20.0 110.829 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -142.6 131.15 22.48 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.094 -0.503 . . . . 20.0 110.757 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.84 79.93 0.48 Allowed 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 116.098 -0.501 . . . . 20.0 110.377 171.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.59 131.93 46.57 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 116.542 -0.299 . . . . 20.0 110.396 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 3.6 p -148.04 146.4 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-N 116.254 -0.43 . . . . 20.0 111.029 -171.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -89.82 162.14 15.65 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 116.238 -0.437 . . . . 20.0 110.935 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -119.91 172.02 8.02 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 116.271 -0.422 . . . . 20.0 111.001 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -81.2 43.75 0.73 Allowed 'General case' 0 CA--C 1.561 1.387 0 CA-C-N 116.214 -0.448 . . . . 20.0 111.396 -176.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -88.72 8.28 29.53 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 116.128 -0.487 . . . . 20.0 110.871 175.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -160.7 177.59 10.31 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.287 -0.415 . . . . 20.0 110.534 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -136.5 158.02 45.41 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.031 -0.531 . . . . 20.0 110.012 169.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -103.52 140.2 37.83 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.923 0.392 . . . . 20.0 110.954 -176.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.3 tp -138.09 115.23 10.95 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.895 -0.593 . . . . 20.0 110.308 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 30.3 mt -85.79 123.06 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-O 120.995 0.426 . . . . 20.0 110.526 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 45.5 t -137.27 129.29 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 115.765 -0.652 . . . . 20.0 110.068 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.92 34.91 17.81 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-O 121.056 0.455 . . . . 20.0 111.344 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.33 3.19 88.48 Favored Glycine 0 CA--C 1.55 2.238 0 CA-C-N 116.307 -0.406 . . . . 20.0 112.881 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -109.59 135.77 50.03 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.519 0.328 . . . . 20.0 110.591 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 97.8 t -80.03 119.22 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-O 120.727 0.299 . . . . 20.0 110.313 174.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -102.57 153.65 19.89 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.287 -0.415 . . . . 20.0 110.213 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -118.68 127.1 53.25 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.118 -0.492 . . . . 20.0 109.968 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 5.3 mt -121.08 128.83 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 120.803 0.335 . . . . 20.0 111.019 -170.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 8.4 t -65.7 137.09 57.07 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.206 -0.452 . . . . 20.0 110.585 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 22.1 pt -68.62 -39.77 80.87 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 CA-C-N 116.676 -0.238 . . . . 20.0 111.559 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 47.7 t -60.92 -63.95 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 111.935 0.346 . . . . 20.0 111.935 -176.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.5 p -105.11 -5.28 20.96 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 112.457 0.539 . . . . 20.0 112.457 -169.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 58.06 35.89 25.56 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 122.572 0.349 . . . . 20.0 111.883 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -76.67 132.78 39.56 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 109.874 -0.417 . . . . 20.0 109.874 169.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 24.6 p -95.28 143.16 26.9 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.034 0.445 . . . . 20.0 111.26 -175.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -135.4 138.69 43.53 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.647 -0.706 . . . . 20.0 110.964 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 53.5 t -77.71 -18.33 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 115.989 -0.551 . . . . 20.0 110.866 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 84.3 m -127.45 161.0 29.75 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 120.976 0.417 . . . . 20.0 110.804 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 20.3 mt -82.42 -34.96 28.05 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.229 -0.441 . . . . 20.0 110.499 172.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 24.4 p -55.01 -45.18 75.08 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 116.551 -0.295 . . . . 20.0 111.241 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 4.9 p -66.6 -35.73 80.89 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 116.54 -0.3 . . . . 20.0 111.078 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 5.0 tp -64.68 -45.66 85.74 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 116.627 -0.261 . . . . 20.0 110.977 177.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -60.44 -49.04 79.15 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 120.627 0.251 . . . . 20.0 110.369 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' ARG . . . . . 0.411 HH21 ' CD ' ' A' ' 535' ' ' GLU . 11.5 ttm180 -50.58 -47.08 58.07 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 116.038 -0.528 . . . . 20.0 110.628 173.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -68.26 -44.17 76.2 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.211 -0.45 . . . . 20.0 111.413 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -58.84 -26.53 64.27 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-O 120.545 0.212 . . . . 20.0 111.266 -173.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -23.94 63.36 Favored 'General case' 0 CA--C 1.561 1.376 0 CA-C-N 116.705 -0.225 . . . . 20.0 111.306 176.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 39.3 mt -75.42 -21.21 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 C-N-CA 122.414 0.286 . . . . 20.0 111.035 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -93.74 -41.87 9.45 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.684 0.278 . . . . 20.0 110.929 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 89.7 p -75.86 -36.29 59.63 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.519 -0.309 . . . . 20.0 111.297 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 58.5 m95 50.21 30.84 4.61 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-O 121.168 0.509 . . . . 20.0 110.37 -169.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -67.18 -31.3 71.61 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.874 -0.603 . . . . 20.0 110.715 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -131.35 121.31 24.45 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.202 -0.454 . . . . 20.0 110.512 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -94.24 149.28 21.38 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.138 -0.483 . . . . 20.0 110.812 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -121.01 80.0 34.02 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 116.034 -0.53 . . . . 20.0 110.326 173.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.32 142.59 30.36 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.745 2.296 . . . . 20.0 112.404 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 33.6 t -74.63 141.36 44.66 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.932 -0.576 . . . . 20.0 110.753 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -75.54 -38.16 59.51 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 116.446 -0.343 . . . . 20.0 110.735 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -85.23 -22.12 28.8 Favored 'General case' 0 CA--C 1.56 1.351 0 CA-C-N 115.904 -0.589 . . . . 20.0 111.959 -169.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 9.4 p -145.02 169.83 17.33 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 120.841 0.353 . . . . 20.0 110.895 175.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.75 6.65 10.32 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 112.166 0.432 . . . . 20.0 112.166 -170.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -68.94 151.56 46.39 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 120.816 0.341 . . . . 20.0 111.038 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 17.2 t -129.94 140.14 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 CA-C-N 116.137 -0.483 . . . . 20.0 110.829 175.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -114.74 150.85 44.71 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 116.041 -0.527 . . . . 20.0 110.837 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -85.1 -4.27 9.61 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 C-N-CA 122.952 2.435 . . . . 20.0 112.799 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.4 mp -132.52 144.09 50.19 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.566 0.347 . . . . 20.0 110.39 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.44 91.14 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 116.341 -0.39 . . . . 20.0 111.09 175.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . 0.411 ' CD ' HH21 ' A' ' 511' ' ' ARG . 22.1 mt-10 -63.48 -48.53 77.29 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 120.777 0.322 . . . . 20.0 110.916 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -61.73 -34.7 76.27 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.243 -0.435 . . . . 20.0 110.501 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -63.02 1.4 Allowed 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.287 -0.415 . . . . 20.0 110.063 169.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 63.6 m -50.24 -50.33 50.25 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.045 -0.525 . . . . 20.0 111.123 -174.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -62.47 -36.75 83.45 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.566 -0.288 . . . . 20.0 111.075 -177.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -70.56 -41.1 72.88 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 120.554 0.216 . . . . 20.0 111.122 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.97 -41.38 87.4 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 120.722 0.296 . . . . 20.0 110.413 175.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 61.3 mt -62.94 -31.51 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 116.471 -0.331 . . . . 20.0 110.84 176.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -68.8 -26.41 65.18 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.636 -0.256 . . . . 20.0 110.665 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -82.13 -38.35 24.88 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 116.844 -0.162 . . . . 20.0 111.185 176.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 62.6 p -74.48 -36.22 63.27 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 120.672 0.273 . . . . 20.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 85.77 16.1 64.25 Favored Glycine 0 CA--C 1.541 1.692 0 C-N-CA 121.567 -0.349 . . . . 20.0 112.593 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.4 120.7 8.66 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 120.866 0.365 . . . . 20.0 111.449 -175.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -82.34 79.98 8.66 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.032 0.444 . . . . 20.0 110.432 174.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -86.73 -28.46 23.05 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 115.975 -0.557 . . . . 20.0 111.535 -174.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -99.01 110.14 22.79 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.156 0.182 . . . . 20.0 110.732 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -107.27 130.41 54.76 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.885 0.374 . . . . 20.0 110.968 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 49.2 t -69.62 147.79 50.21 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.033 -0.53 . . . . 20.0 110.136 170.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 80.9 mt -104.89 -17.01 14.7 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 116.734 -0.212 . . . . 20.0 111.436 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.23 -49.69 18.56 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 116.74 -0.209 . . . . 20.0 111.066 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 32.0 p -120.04 -2.36 10.25 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 111.952 0.353 . . . . 20.0 111.952 -176.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 81.25 -4.3 72.72 Favored Glycine 0 CA--C 1.555 2.581 0 C-N-CA 121.165 -0.541 . . . . 20.0 113.388 173.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -71.38 140.1 50.03 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 117.316 0.558 . . . . 20.0 110.833 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 50.4 m -111.91 154.6 24.96 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 121.009 0.433 . . . . 20.0 111.617 -175.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -135.67 166.46 23.2 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.717 -0.674 . . . . 20.0 110.717 -176.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 12.5 tt -88.54 -23.19 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 CA-C-N 116.154 -0.475 . . . . 20.0 111.867 -171.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -151.31 170.18 20.14 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-O 121.022 0.439 . . . . 20.0 111.288 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -66.79 -34.31 77.55 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.896 -0.593 . . . . 20.0 111.353 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 28.7 mp0 -64.25 -48.64 75.02 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 116.678 -0.237 . . . . 20.0 110.95 -175.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -64.17 -42.77 96.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.632 -0.258 . . . . 20.0 110.729 176.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 37.8 ttp -58.79 -50.78 72.69 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.447 -0.342 . . . . 20.0 111.053 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 24.8 t -61.46 -43.79 98.25 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.609 0.242 . . . . 20.0 110.789 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 22.7 t -58.76 -42.51 89.07 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.45 -0.341 . . . . 20.0 110.906 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -63.56 -47.55 81.1 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 116.499 -0.319 . . . . 20.0 111.144 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.06 -41.38 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-O 120.635 0.255 . . . . 20.0 110.504 -178.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -65.66 -44.99 84.65 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.564 -0.289 . . . . 20.0 110.914 178.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 41.6 m -74.65 -37.17 62.81 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 111.834 0.309 . . . . 20.0 111.834 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 76.9 t -97.0 -46.85 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 CA-C-O 120.548 0.213 . . . . 20.0 111.497 -171.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -100.08 -0.76 38.41 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 116.558 -0.292 . . . . 20.0 111.509 -174.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 39.7 m 55.85 34.79 24.19 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 122.762 0.425 . . . . 20.0 111.396 176.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -133.75 158.73 42.57 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.939 0.399 . . . . 20.0 110.929 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -111.62 116.44 50.32 Favored Pre-proline 0 CA--C 1.549 0.924 0 CA-C-N 116.062 -0.517 . . . . 20.0 110.416 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.83 -20.38 45.71 Favored 'Trans proline' 0 CA--C 1.546 1.121 0 C-N-CA 122.383 2.056 . . . . 20.0 112.578 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' SER . . . . . 0.495 ' HG ' " C3'" ' E' ' 31' ' ' ' DG' . 31.2 t -78.82 -18.07 54.65 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 116.512 -0.313 . . . . 20.0 111.078 176.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -86.15 -154.5 24.45 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 121.487 -0.387 . . . . 20.0 112.149 177.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -87.88 85.71 7.05 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 120.992 0.425 . . . . 20.0 110.211 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 58.2 m -160.27 -60.06 0.06 Allowed 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 116.11 -0.495 . . . . 20.0 110.72 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm 53.61 89.82 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 121.292 0.568 . . . . 20.0 111.129 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 1.1 mt -116.35 30.05 7.58 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 115.573 -0.74 . . . . 20.0 111.223 -175.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -147.04 162.47 38.73 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 120.994 0.426 . . . . 20.0 111.36 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -136.32 139.3 42.5 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.781 -0.645 . . . . 20.0 110.336 173.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -99.04 120.29 39.21 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.25 -0.432 . . . . 20.0 110.376 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -94.52 157.6 36.93 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-N 116.266 -0.425 . . . . 20.0 110.847 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.3 143.09 99.85 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.642 2.228 . . . . 20.0 112.428 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 47.0 t -87.42 120.4 28.67 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.175 -0.466 . . . . 20.0 110.402 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -129.82 -13.56 4.14 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 116.362 -0.381 . . . . 20.0 111.981 -173.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 57.1 p -69.49 -22.98 63.57 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 111.568 0.21 . . . . 20.0 111.568 -176.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.5 pp -144.69 172.21 13.31 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-O 120.928 0.394 . . . . 20.0 111.021 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -89.43 107.26 18.97 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 116.143 -0.48 . . . . 20.0 111.621 -170.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 29.6 pt -146.31 169.67 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 CA-C-N 115.801 -0.636 . . . . 20.0 109.753 169.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -75.38 143.53 42.75 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 110.072 -0.344 . . . . 20.0 110.072 173.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -125.71 115.58 20.31 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.013 0.435 . . . . 20.0 110.622 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -59.25 151.55 22.9 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.668 -0.696 . . . . 20.0 110.985 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.7 -10.08 42.96 Favored 'General case' 0 CA--C 1.558 1.26 0 N-CA-C 112.029 0.381 . . . . 20.0 112.029 -175.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -80.12 -15.0 58.05 Favored 'General case' 0 CA--C 1.557 1.238 0 O-C-N 122.365 -0.21 . . . . 20.0 111.083 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.15 -32.52 26.6 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-O 120.909 0.385 . . . . 20.0 110.2 169.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 5.1 t -79.46 2.34 22.27 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-N 116.041 -0.527 . . . . 20.0 111.623 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -64.05 164.49 10.53 Favored 'General case' 0 CA--C 1.559 1.303 0 CA-C-O 121.135 0.493 . . . . 20.0 111.315 -176.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -66.17 161.97 20.83 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 115.941 -0.572 . . . . 20.0 111.364 -177.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 36.8 m . . . . . 0 N--CA 1.484 1.228 0 CA-C-N 115.941 -0.572 . . . . 20.0 111.07 178.057 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.098 0 O5'-C5'-C4' 114.209 2.864 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.662 0 O4'-C4'-C3' 108.609 3.009 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.68 0 O5'-C5'-C4' 114.1 2.785 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.611 0 O5'-C5'-C4' 115.198 3.57 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.324 0 O5'-C5'-C4' 115.024 3.446 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.502 0 P-O3'-C3' 124.006 3.589 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.081 0 O5'-C5'-C4' 115.197 3.569 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.503 0 P-O3'-C3' 123.848 3.457 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.638 4.536 0 C3'-C2'-C1' 97.499 -3.715 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.264 0 O5'-C5'-C4' 114.69 3.207 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.578 0 P-O3'-C3' 123.229 2.941 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.367 0 P-O3'-C3' 122.794 2.579 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.257 0 O5'-C5'-C4' 114.46 3.043 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.401 1 P-O3'-C3' 124.956 4.38 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.557 0 O5'-C5'-C4' 114.15 2.821 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.663 0 O5'-C5'-C4' 114.006 2.718 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.377 0 O4'-C4'-C3' 108.585 2.985 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.761 0 O4'-C4'-C3' 108.333 2.733 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.043 0 P-O3'-C3' 123.348 3.04 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.51 0 C1'-O4'-C4' 105.72 -2.843 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.899 0 O4'-C4'-C3' 108.251 2.651 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.312 0 O4'-C4'-C3' 108.107 2.507 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.627 0 P-O3'-C3' 123.062 2.802 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.09 0 O4'-C4'-C3' 108.245 2.645 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.118 0 O4'-C4'-C3' 108.666 3.066 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.655 0 P-O3'-C3' 123.59 3.242 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.332 2 C3'-C2'-C1' 95.374 -5.233 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.952 0 O3'-P-O5' 99.025 -2.618 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.19 0 O4'-C4'-C3' 108.413 2.813 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.586 0 O4'-C4'-C3' 108.345 2.745 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 31' ' ' ' DG' . . . . . 0.495 " C3'" ' HG ' ' A' ' 578' ' ' SER . . . . . . . . 0 C5'--C4' 1.536 3.063 0 C1'-O4'-C4' 105.224 -3.197 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.765 0 P-O3'-C3' 124.144 3.703 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.474 0 O5'-C5'-C4' 114.914 3.367 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.348 0 P-O3'-C3' 123.305 3.004 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.469 0 P-O3'-C3' 123.274 2.978 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.748 0 O4'-C4'-C3' 108.673 3.073 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.77 0 O4'-C4'-C3' 108.584 2.984 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.281 0 P-O3'-C3' 122.991 2.742 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.784 0 CA-C-O 120.861 0.363 . . . . 20.0 110.788 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -132.22 147.96 52.44 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 116.183 -0.462 . . . . 20.0 110.665 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -82.2 156.94 24.16 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 116.168 -0.469 . . . . 20.0 110.639 176.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -151.75 143.54 23.7 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 116.27 -0.423 . . . . 20.0 110.69 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 93.5 mmm -141.5 79.88 1.7 Allowed 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 116.112 -0.495 . . . . 20.0 110.974 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.1 56.58 1.82 Allowed 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 121.051 0.453 . . . . 20.0 110.843 176.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.38 157.21 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 CA-C-N 115.045 -0.98 . . . . 20.0 110.659 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -80.05 160.66 25.74 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-N 115.057 -0.974 . . . . 20.0 110.531 175.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -132.23 147.65 52.42 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.879 -0.6 . . . . 20.0 110.696 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -97.15 23.49 7.31 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 115.998 -0.546 . . . . 20.0 111.037 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 47.7 p-10 -82.81 6.24 18.92 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 116.409 -0.36 . . . . 20.0 111.145 177.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -160.98 176.9 10.9 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.999 0.428 . . . . 20.0 111.276 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -134.49 153.82 51.74 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.502 -0.772 . . . . 20.0 109.659 169.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -102.52 130.74 49.44 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.072 0.463 . . . . 20.0 110.909 -173.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 12.7 tp -131.16 117.28 18.83 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.695 -0.684 . . . . 20.0 110.362 -175.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 21.1 mt -86.96 122.68 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 120.924 0.392 . . . . 20.0 110.514 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 45.9 t -134.57 125.38 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 115.93 -0.577 . . . . 20.0 110.201 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 37.6 t0 50.55 40.12 22.77 Favored 'General case' 0 CA--C 1.564 1.495 0 CA-C-O 121.041 0.448 . . . . 20.0 111.08 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 86.96 -21.51 19.38 Favored Glycine 0 CA--C 1.549 2.213 0 CA-C-N 116.188 -0.46 . . . . 20.0 112.938 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 56.0 mtt85 -88.96 136.44 33.01 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.895 0.347 . . . . 20.0 111.032 -177.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 95.9 t -80.06 122.64 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 116.474 -0.33 . . . . 20.0 110.17 171.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -105.36 153.03 22.21 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.266 -0.425 . . . . 20.0 110.275 173.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -117.97 118.89 33.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 20.0 110.064 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.7 mt -112.08 124.35 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 116.453 -0.34 . . . . 20.0 110.837 -171.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.4 t -63.48 137.87 58.3 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.268 -0.424 . . . . 20.0 110.566 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 31.0 pt -69.81 -39.21 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 116.636 -0.256 . . . . 20.0 111.613 -176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.03 -64.68 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 111.775 0.287 . . . . 20.0 111.775 -176.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 26.7 p -105.07 -4.77 21.54 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 112.383 0.512 . . . . 20.0 112.383 -169.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt 57.89 41.3 24.88 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 122.556 0.343 . . . . 20.0 111.785 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -82.3 131.61 35.23 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 116.354 -0.385 . . . . 20.0 110.003 169.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 39.6 p -93.74 131.75 38.79 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.501 -0.318 . . . . 20.0 111.111 -176.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -123.13 140.59 52.86 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.024 -0.534 . . . . 20.0 111.001 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 74.2 t -79.01 -19.53 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-N 116.068 -0.514 . . . . 20.0 110.946 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 71.3 m -132.75 136.82 46.59 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.731 0.3 . . . . 20.0 111.0 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 18.1 mt -59.02 -36.33 74.78 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.294 -0.412 . . . . 20.0 110.729 176.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 18.2 p -51.49 -41.9 61.27 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 120.584 0.23 . . . . 20.0 111.016 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 17.1 m -67.47 -41.81 83.99 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.488 -0.323 . . . . 20.0 110.973 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.58 -50.02 74.29 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.484 -0.325 . . . . 20.0 111.014 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -62.73 -45.47 92.59 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 120.752 0.31 . . . . 20.0 110.536 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' ARG . . . . . 0.403 HH12 ' N4 ' ' E' ' 29' ' ' ' DC' . 40.9 ttp180 -58.95 -40.93 86.19 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.865 175.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -69.24 -44.69 71.48 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 116.255 -0.429 . . . . 20.0 111.283 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.36 -23.6 64.41 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 111.44 0.163 . . . . 20.0 111.44 -173.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -22.06 61.58 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-O 120.499 0.19 . . . . 20.0 111.107 175.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 36.6 mt -77.98 -21.1 13.63 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 C-N-CA 122.411 0.284 . . . . 20.0 111.037 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -95.07 -41.49 9.1 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.657 0.265 . . . . 20.0 110.904 177.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 91.6 p -81.84 -33.29 30.75 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.406 -0.361 . . . . 20.0 111.389 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 52.7 m95 51.13 37.96 19.59 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 121.255 0.55 . . . . 20.0 110.666 -170.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -64.41 -32.2 73.73 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.846 -0.616 . . . . 20.0 111.031 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -131.84 122.39 25.65 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.37 -0.377 . . . . 20.0 110.492 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -92.78 144.27 25.46 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.227 -0.442 . . . . 20.0 110.584 175.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' TYR . . . . . 0.412 ' CE1' ' HB2' ' A' ' 534' ' ' ALA . 90.2 m-85 -122.42 80.53 46.11 Favored Pre-proline 0 CA--C 1.545 0.755 0 CA-C-N 116.229 -0.441 . . . . 20.0 110.412 176.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.79 143.98 27.23 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.772 2.315 . . . . 20.0 112.588 -176.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 51.0 t -79.63 143.4 34.72 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.953 -0.567 . . . . 20.0 110.65 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -77.64 -37.23 50.48 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-O 120.849 0.357 . . . . 20.0 110.839 176.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -83.16 -24.06 32.67 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 115.893 -0.594 . . . . 20.0 111.795 -169.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.1 p -145.02 172.91 12.39 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-O 120.824 0.345 . . . . 20.0 110.767 175.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -82.87 9.99 8.75 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 112.22 0.452 . . . . 20.0 112.22 -169.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -70.31 149.9 46.9 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 120.87 0.366 . . . . 20.0 111.328 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 16.1 t -128.62 134.79 63.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 115.7 -0.682 . . . . 20.0 110.298 169.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -113.52 153.07 45.83 Favored Pre-proline 0 CA--C 1.543 0.711 0 CA-C-N 116.233 -0.439 . . . . 20.0 110.686 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -83.4 -5.07 11.0 Favored 'Trans proline' 0 CA--C 1.552 1.387 0 C-N-CA 122.934 2.423 . . . . 20.0 112.926 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.5 mp -131.51 142.56 49.98 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.549 0.34 . . . . 20.0 110.289 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . 0.412 ' HB2' ' CE1' ' A' ' 522' ' ' TYR . . . -64.76 -43.54 92.99 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.623 0.249 . . . . 20.0 111.037 178.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -62.78 -38.21 89.72 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.548 -0.296 . . . . 20.0 110.92 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -61.74 -39.41 91.5 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.799 -0.182 . . . . 20.0 110.777 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -62.03 -52.09 65.35 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.586 -0.279 . . . . 20.0 110.439 173.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 37.3 m -55.63 -52.09 64.99 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.603 -0.271 . . . . 20.0 111.248 -177.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -61.74 -39.04 90.18 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-O 120.451 0.167 . . . . 20.0 111.107 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -62.88 -44.99 94.64 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 120.768 0.318 . . . . 20.0 110.698 176.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -68.21 -26.3 65.64 Favored 'General case' 0 CA--C 1.554 1.13 0 O-C-N 122.293 -0.255 . . . . 20.0 111.007 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 3.6 mt -64.97 -30.56 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-O 120.543 0.211 . . . . 20.0 110.655 171.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -71.63 -28.08 63.54 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 116.717 -0.22 . . . . 20.0 110.864 174.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -77.0 -41.82 41.24 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-O 120.5 0.191 . . . . 20.0 110.982 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 58.4 p -79.06 -19.78 50.48 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 116.805 -0.179 . . . . 20.0 111.345 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 78.56 17.15 78.16 Favored Glycine 0 CA--C 1.544 1.893 0 C-N-CA 121.506 -0.378 . . . . 20.0 112.664 177.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -60.37 109.43 1.0 Allowed 'General case' 0 CA--C 1.553 1.091 0 CA-C-O 120.902 0.382 . . . . 20.0 111.133 -176.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -91.86 90.51 7.5 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.074 0.464 . . . . 20.0 110.234 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 11.6 mtp85 -83.91 -31.87 25.44 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 115.561 -0.745 . . . . 20.0 111.888 -169.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -91.79 98.97 11.94 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.515 -0.311 . . . . 20.0 110.858 -169.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -90.21 123.23 33.85 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 120.872 0.368 . . . . 20.0 110.948 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 34.0 t -79.42 100.07 7.48 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.157 -0.474 . . . . 20.0 110.585 176.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.64 -14.82 34.29 Favored 'General case' 0 CA--C 1.558 1.272 0 N-CA-C 111.995 0.369 . . . . 20.0 111.995 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.04 -50.06 17.73 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-O 120.438 0.161 . . . . 20.0 111.297 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 28.7 p -120.08 -5.24 10.02 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 111.87 0.322 . . . . 20.0 111.87 -175.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 91.69 -6.85 79.96 Favored Glycine 0 CA--C 1.551 2.336 0 C-N-CA 121.543 -0.361 . . . . 20.0 113.339 174.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -76.32 134.69 39.66 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 117.303 0.551 . . . . 20.0 111.032 -175.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 61.6 m -105.51 148.62 27.02 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 116.478 -0.328 . . . . 20.0 110.994 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -128.61 158.58 38.1 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.323 -0.399 . . . . 20.0 111.109 -177.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.9 tt -77.07 -24.87 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 CA-C-N 116.195 -0.457 . . . . 20.0 111.696 -173.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 48.4 p30 -152.1 169.97 21.09 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 121.027 0.442 . . . . 20.0 111.114 -175.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -64.67 -36.87 85.68 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.871 -0.604 . . . . 20.0 111.165 -177.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -59.66 -47.04 87.2 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.545 -0.298 . . . . 20.0 111.123 -174.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -67.44 -45.21 76.69 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.652 -0.249 . . . . 20.0 110.806 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 14.5 ttp -57.32 -48.43 78.97 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 120.759 0.314 . . . . 20.0 111.008 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 35.0 t -63.9 -48.44 76.61 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.409 -0.36 . . . . 20.0 110.981 -177.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 25.9 t -57.29 -41.53 79.97 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.508 -0.315 . . . . 20.0 110.813 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -64.79 -49.19 71.67 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.364 -0.38 . . . . 20.0 111.304 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 83.3 mt -63.23 -39.99 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-O 120.609 0.242 . . . . 20.0 110.653 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -68.19 -40.22 82.27 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.649 -0.25 . . . . 20.0 111.198 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 36.6 m -82.18 -34.85 28.85 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 111.75 0.278 . . . . 20.0 111.75 -173.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 74.5 t -97.98 -45.23 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 CA-C-N 116.817 -0.174 . . . . 20.0 111.377 -171.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -100.15 -5.23 28.1 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-N 116.707 -0.224 . . . . 20.0 111.257 -175.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 39.3 m 56.03 36.5 27.49 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.693 0.397 . . . . 20.0 111.367 176.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -128.69 159.79 34.52 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.973 0.416 . . . . 20.0 111.01 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -95.45 118.6 66.18 Favored Pre-proline 0 CA--C 1.552 1.046 0 CA-C-N 115.999 -0.546 . . . . 20.0 110.325 175.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -66.86 -23.92 47.09 Favored 'Trans proline' 0 CA--C 1.548 1.207 0 C-N-CA 122.465 2.11 . . . . 20.0 112.361 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 7.8 t -88.44 4.89 44.83 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 116.403 -0.362 . . . . 20.0 110.987 174.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -75.76 -153.47 4.32 Favored Glycine 0 CA--C 1.539 1.59 0 N-CA-C 112.115 -0.394 . . . . 20.0 112.115 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -110.3 29.52 7.61 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-O 120.67 0.271 . . . . 20.0 111.328 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 70.0 m -102.51 -39.68 7.01 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 116.687 -0.233 . . . . 20.0 111.04 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt 59.65 73.55 0.48 Allowed 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 121.188 0.518 . . . . 20.0 110.605 -175.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 3.3 mt -99.2 14.35 29.76 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.663 -0.699 . . . . 20.0 111.617 -170.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -141.56 153.22 44.7 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.037 0.446 . . . . 20.0 111.264 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -126.15 128.4 47.23 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.726 -0.67 . . . . 20.0 110.044 173.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -101.43 109.49 21.33 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.909 0.385 . . . . 20.0 110.643 -177.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -88.07 151.84 49.85 Favored Pre-proline 0 CA--C 1.553 1.06 0 CA-C-N 116.02 -0.536 . . . . 20.0 110.812 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -61.3 162.28 20.71 Favored 'Trans proline' 0 CA--C 1.547 1.143 0 C-N-CA 122.579 2.186 . . . . 20.0 112.38 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 35.5 t -92.63 127.74 38.23 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.206 -0.452 . . . . 20.0 110.332 173.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -121.25 -18.27 7.43 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 116.591 -0.277 . . . . 20.0 111.575 -175.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 20.7 p -70.45 -19.99 62.92 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 116.667 -0.242 . . . . 20.0 111.587 -177.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.1 pp -142.12 162.5 35.32 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 120.749 0.309 . . . . 20.0 110.811 176.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -82.68 119.49 24.36 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 121.021 0.438 . . . . 20.0 111.523 -170.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 22.3 pt -143.35 168.61 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 CA-C-N 115.743 -0.662 . . . . 20.0 110.222 173.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -69.93 137.25 51.39 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 109.98 -0.378 . . . . 20.0 109.98 170.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -110.63 93.43 4.48 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.593 -172.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -57.95 146.55 31.97 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.957 -0.565 . . . . 20.0 110.857 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.71 -14.88 63.07 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 116.276 -0.42 . . . . 20.0 111.935 -175.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -80.06 -22.36 42.39 Favored 'General case' 0 CA--C 1.552 1.057 0 O-C-N 122.492 -0.13 . . . . 20.0 111.053 177.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.9 -35.6 20.43 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 120.832 0.349 . . . . 20.0 110.324 169.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.83 1.41 20.44 Favored 'General case' 0 CA--C 1.559 1.291 0 CA-C-N 116.043 -0.526 . . . . 20.0 111.493 -176.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -63.55 164.44 9.5 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-O 120.971 0.415 . . . . 20.0 111.156 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -116.16 125.58 52.5 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 116.119 -0.491 . . . . 20.0 110.713 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 11.0 m . . . . . 0 N--CA 1.482 1.138 0 CA-C-N 116.238 -0.437 . . . . 20.0 110.61 178.506 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.177 0 O5'-C5'-C4' 114.473 3.052 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.643 0 C5'-C4'-C3' 110.269 -2.954 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.525 0 O5'-C5'-C4' 114.109 2.792 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.488 0 O5'-C5'-C4' 115.202 3.573 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.295 0 C1'-O4'-C4' 105.399 -3.072 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.453 0 O4'-C4'-C3' 108.633 3.033 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.543 0 O5'-C5'-C4' 114.738 3.241 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 0 P-O3'-C3' 123.628 3.273 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.111 2 C3'-C2'-C1' 96.243 -4.612 . . . . 20.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.139 0 O3'-P-O5' 98.461 -2.915 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.345 0 P-O3'-C3' 123.59 3.242 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.074 0 P-O3'-C3' 122.932 2.693 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.359 0 P-O3'-C3' 123.233 2.944 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.506 0 P-O3'-C3' 124.191 3.742 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.576 0 O5'-C5'-C4' 114.236 2.883 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.461 0 O4'-C4'-C3' 108.402 2.802 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.355 0 O5'-C5'-C4' 114.925 3.375 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.178 0 O4'-C4'-C3' 108.888 3.288 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.273 0 C1'-O4'-C4' 105.876 -2.731 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.583 0 C1'-O4'-C4' 105.937 -2.688 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.637 0 O5'-C5'-C4' 114.076 2.769 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.366 0 P-O3'-C3' 122.937 2.698 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.571 0 P-O3'-C3' 123.249 2.958 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.515 0 O5'-C5'-C4' 114.425 3.018 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.799 0 P-O3'-C3' 124.181 3.734 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.806 0 O4'-C4'-C3' 108.38 2.78 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.018 2 C3'-C2'-C1' 94.709 -5.708 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.704 0 O3'-P-O5' 98.728 -2.775 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 29' ' ' ' DC' . . . . . 0.403 ' N4 ' HH12 ' A' ' 511' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -2.683 0 C1'-O4'-C4' 106.6 -2.214 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.884 0 O5'-C5'-C4' 114.51 3.078 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.068 0 P-O3'-C3' 123.275 2.979 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.144 1 P-O3'-C3' 124.8 4.25 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.729 0 O5'-C5'-C4' 114.457 3.041 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.503 0 P-O3'-C3' 123.217 2.931 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.462 0 P-O3'-C3' 123.051 2.793 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.509 0 O4'-C4'-C3' 108.624 3.024 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.656 0 O4'-C4'-C3' 108.543 2.943 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.25 0 P-O3'-C3' 122.918 2.682 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.791 0 CA-C-O 120.876 0.369 . . . . 20.0 110.827 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -77.06 159.3 29.96 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.208 -0.451 . . . . 20.0 110.912 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -88.45 110.66 21.01 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 116.215 -0.448 . . . . 20.0 110.582 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -80.62 -179.98 7.48 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 116.103 -0.499 . . . . 20.0 110.867 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 15.0 tpt -138.97 79.96 1.76 Allowed 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 121.059 0.457 . . . . 20.0 111.036 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -145.07 49.74 1.26 Allowed 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 115.844 -0.616 . . . . 20.0 110.278 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 35.0 m -92.82 167.72 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 115.547 -0.751 . . . . 20.0 111.075 -175.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -83.17 155.82 23.55 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 116.151 -0.477 . . . . 20.0 110.791 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -140.78 157.3 45.6 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 116.193 -0.458 . . . . 20.0 110.848 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -124.45 37.51 4.39 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 121.133 0.492 . . . . 20.0 110.461 176.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 37.3 p30 -84.49 9.56 13.16 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.928 -0.578 . . . . 20.0 111.36 -175.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -161.31 177.24 10.35 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.981 0.419 . . . . 20.0 111.284 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -135.65 157.24 47.37 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.585 -0.734 . . . . 20.0 109.64 169.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -102.3 134.49 45.5 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.992 0.425 . . . . 20.0 110.965 -174.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 13.2 tp -135.37 118.0 15.97 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.838 -0.619 . . . . 20.0 110.238 -177.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 23.9 mt -87.63 123.46 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-O 120.941 0.4 . . . . 20.0 110.583 -178.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 38.2 t -137.8 129.08 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.787 -0.642 . . . . 20.0 110.116 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.45 37.22 22.18 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-O 120.874 0.368 . . . . 20.0 111.177 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.33 2.42 87.5 Favored Glycine 0 CA--C 1.55 2.248 0 C-N-CA 121.518 -0.372 . . . . 20.0 112.908 177.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -111.61 137.38 49.55 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.476 0.31 . . . . 20.0 110.656 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 89.7 t -80.21 119.15 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 116.56 -0.291 . . . . 20.0 110.284 174.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -101.42 150.97 22.49 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.204 -0.453 . . . . 20.0 110.305 172.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -116.38 122.34 44.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 20.0 109.985 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.8 mt -116.3 126.79 73.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-O 120.833 0.349 . . . . 20.0 110.965 -171.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 8.5 t -63.21 136.12 57.53 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 116.204 -0.453 . . . . 20.0 110.614 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 21.1 pt -68.42 -40.31 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 CA-C-N 116.58 -0.282 . . . . 20.0 111.598 -176.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 47.4 t -60.93 -64.71 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 111.955 0.354 . . . . 20.0 111.955 -176.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 27.7 p -105.19 -4.32 21.9 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 112.487 0.551 . . . . 20.0 112.487 -169.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 59.7 35.54 22.3 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 122.619 0.367 . . . . 20.0 111.954 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -76.84 129.85 36.81 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 109.873 -0.418 . . . . 20.0 109.873 169.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 36.4 p -93.28 145.96 24.06 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.955 0.407 . . . . 20.0 111.233 -175.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -138.48 141.81 39.43 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.867 -0.606 . . . . 20.0 111.016 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 55.0 t -79.0 -19.69 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 116.04 -0.527 . . . . 20.0 110.825 175.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 86.2 m -125.64 164.32 20.84 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 120.972 0.415 . . . . 20.0 110.865 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 20.7 mt -86.95 -33.56 19.63 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.103 -0.499 . . . . 20.0 110.657 173.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 24.8 p -58.33 -43.55 88.27 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 116.676 -0.238 . . . . 20.0 111.236 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 5.7 p -66.22 -37.67 86.09 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 116.529 -0.305 . . . . 20.0 111.03 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 3.3 tp -64.35 -47.37 79.57 Favored 'General case' 0 CA--C 1.552 1.058 0 CA-C-N 116.618 -0.265 . . . . 20.0 111.06 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 7.4 mmm-85 -59.79 -46.98 87.51 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 120.872 0.368 . . . . 20.0 110.312 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -53.39 -48.62 68.48 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.878 -0.601 . . . . 20.0 110.746 174.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -63.99 -42.82 97.08 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-N 116.282 -0.417 . . . . 20.0 111.279 -176.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.25 -24.52 64.95 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 111.545 0.202 . . . . 20.0 111.545 -175.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -20.11 62.87 Favored 'General case' 0 CA--C 1.561 1.369 0 CA-C-O 120.515 0.198 . . . . 20.0 111.151 176.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 33.5 mt -79.49 -20.01 12.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 CA-C-O 120.638 0.256 . . . . 20.0 110.905 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -94.46 -40.8 9.71 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.62 0.248 . . . . 20.0 110.932 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 87.3 p -83.11 -32.66 26.6 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.423 -0.353 . . . . 20.0 111.363 -176.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 52.1 m95 49.22 37.5 11.31 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 121.169 0.509 . . . . 20.0 110.685 -171.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.21 -30.94 71.5 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.77 -0.65 . . . . 20.0 111.194 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -128.43 131.31 48.43 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.389 -0.369 . . . . 20.0 110.463 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -95.01 142.84 27.03 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.172 -0.467 . . . . 20.0 110.531 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' TYR . . . . . 0.402 ' CE1' ' HB3' ' A' ' 534' ' ' ALA . 92.2 m-85 -123.07 79.73 51.43 Favored Pre-proline 0 CA--C 1.543 0.706 0 CA-C-N 116.22 -0.446 . . . . 20.0 110.265 172.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.94 142.2 17.29 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.808 2.339 . . . . 20.0 112.586 -177.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 41.0 t -77.51 145.35 37.04 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.905 -0.589 . . . . 20.0 110.37 173.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -85.08 -29.31 25.0 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 120.699 0.285 . . . . 20.0 111.114 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -83.2 -27.81 29.73 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 116.349 -0.387 . . . . 20.0 111.618 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.2 p -138.82 162.55 34.48 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 120.728 0.299 . . . . 20.0 110.633 175.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -80.36 28.85 0.3 Allowed 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 116.569 -0.287 . . . . 20.0 111.701 -173.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -87.58 146.71 25.64 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.42 0.288 . . . . 20.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 10.1 t -123.58 136.54 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 CA-C-N 116.178 -0.464 . . . . 20.0 110.725 173.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -109.37 150.1 40.66 Favored Pre-proline 0 CA--C 1.54 0.593 0 CA-C-N 115.938 -0.574 . . . . 20.0 110.506 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -82.26 -5.39 11.93 Favored 'Trans proline' 0 CA--C 1.549 1.249 0 C-N-CA 122.815 2.344 . . . . 20.0 112.506 176.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.9 mp -132.78 144.47 50.27 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.716 0.406 . . . . 20.0 110.425 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . 0.402 ' HB3' ' CE1' ' A' ' 522' ' ' TYR . . . -68.76 -44.03 74.57 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 116.479 -0.328 . . . . 20.0 111.371 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -62.47 -39.22 92.75 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.713 -0.221 . . . . 20.0 110.803 -177.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -62.65 -39.07 92.72 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.641 -0.254 . . . . 20.0 110.609 177.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -54.3 47.71 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.337 -0.392 . . . . 20.0 110.217 172.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 48.1 m -58.54 -53.97 52.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.782 -0.644 . . . . 20.0 111.115 -173.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -63.06 -34.24 77.15 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.739 -0.209 . . . . 20.0 110.889 -176.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -67.23 -46.02 75.05 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-O 120.718 0.294 . . . . 20.0 110.986 174.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.83 -30.82 70.31 Favored 'General case' 0 CA--C 1.55 0.954 0 O-C-N 122.299 -0.25 . . . . 20.0 110.999 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 22.5 mt -62.27 -29.02 45.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-O 120.868 0.366 . . . . 20.0 110.558 171.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.66 -27.55 61.31 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 116.263 -0.426 . . . . 20.0 110.957 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -78.01 -41.65 35.14 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-O 120.525 0.202 . . . . 20.0 111.015 176.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 80.4 p -77.82 -18.99 55.73 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 116.798 -0.183 . . . . 20.0 111.351 -177.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 76.75 17.06 80.23 Favored Glycine 0 CA--C 1.542 1.726 0 C-N-CA 121.549 -0.358 . . . . 20.0 112.534 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.36 98.89 0.37 Allowed 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 120.959 0.409 . . . . 20.0 111.173 -174.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 75.6 mtt-85 -85.64 94.12 9.0 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 121.007 0.432 . . . . 20.0 110.3 176.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . 0.454 HH12 ' P ' ' E' ' 29' ' ' ' DC' . 80.8 mtp180 -90.88 -27.05 19.04 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 115.627 -0.715 . . . . 20.0 111.929 -169.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -91.74 89.81 7.26 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.882 0.372 . . . . 20.0 110.706 -173.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -80.66 128.8 34.03 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.263 -0.426 . . . . 20.0 110.853 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 24.6 t -86.43 107.64 18.14 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.442 -0.344 . . . . 20.0 110.421 174.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 26.6 mt -68.2 -17.13 64.24 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 116.727 -0.215 . . . . 20.0 111.563 -177.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.15 -50.15 17.21 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-O 120.479 0.181 . . . . 20.0 111.369 -175.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 26.3 p -118.89 -12.89 9.53 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 111.77 0.285 . . . . 20.0 111.77 -175.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 102.62 -13.36 56.61 Favored Glycine 0 CA--C 1.549 2.167 0 C-N-CA 121.642 -0.313 . . . . 20.0 113.08 174.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -72.26 130.22 40.28 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 117.134 0.467 . . . . 20.0 111.106 -173.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 53.3 m -101.77 143.02 32.21 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 120.805 0.336 . . . . 20.0 110.839 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -122.37 157.27 32.2 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.217 -0.447 . . . . 20.0 111.045 -176.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.2 tt -82.4 -23.22 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 116.196 -0.456 . . . . 20.0 111.765 -170.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 34.2 p30 -152.85 171.38 18.36 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 120.982 0.42 . . . . 20.0 111.15 -176.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -62.02 -41.57 98.22 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.891 -0.595 . . . . 20.0 111.219 -178.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.8 mp0 -56.97 -44.54 82.74 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.586 -0.279 . . . . 20.0 111.031 -173.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -69.42 -46.66 66.29 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.563 -0.29 . . . . 20.0 110.932 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 29.2 ttp -58.56 -52.01 67.47 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 120.667 0.27 . . . . 20.0 111.193 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 12.0 t -63.6 -42.68 98.22 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.6 -0.273 . . . . 20.0 110.775 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 28.6 t -58.92 -42.69 90.28 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.813 0.34 . . . . 20.0 110.794 175.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 43.6 t60 -66.49 -46.64 75.64 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 116.365 -0.38 . . . . 20.0 111.193 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 78.3 mt -63.43 -40.17 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-O 120.474 0.178 . . . . 20.0 110.664 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -67.56 -41.24 84.53 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.808 -0.178 . . . . 20.0 111.316 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 29.6 p -83.72 -32.02 25.73 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 111.752 0.278 . . . . 20.0 111.752 -173.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 76.0 t -99.07 -47.99 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 CA-C-O 120.511 0.196 . . . . 20.0 111.387 -173.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -100.16 -15.57 18.1 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 116.562 -0.29 . . . . 20.0 111.52 -173.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 96.2 p 53.17 33.25 14.83 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 122.961 0.504 . . . . 20.0 111.62 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -113.71 171.76 7.39 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 116.317 -0.402 . . . . 20.0 111.117 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -103.87 112.95 65.76 Favored Pre-proline 0 CA--C 1.561 1.395 0 CA-C-N 116.13 -0.487 . . . . 20.0 111.127 -175.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -88.71 0.4 6.42 Favored 'Trans proline' 0 CA--C 1.566 2.111 0 C-N-CA 123.178 2.585 . . . . 20.0 113.217 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 34.9 t -52.75 -30.2 31.31 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 112.51 0.559 . . . . 20.0 112.51 -169.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -128.65 -166.6 12.01 Favored Glycine 0 N--CA 1.481 1.643 0 N-CA-C 111.305 -0.718 . . . . 20.0 111.305 173.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -75.49 79.89 2.52 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 121.179 0.514 . . . . 20.0 110.562 177.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 73.2 m -84.16 0.58 48.06 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.834 -0.621 . . . . 20.0 111.213 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 62.81 45.03 5.93 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 122.955 0.502 . . . . 20.0 110.804 -173.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 37.5 mt -118.15 -24.73 6.88 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 115.832 -0.622 . . . . 20.0 111.204 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -148.38 157.82 43.72 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.758 0.313 . . . . 20.0 110.795 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -136.87 129.13 29.78 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.2 -0.455 . . . . 20.0 110.452 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.1 tt -94.2 110.17 21.92 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.312 -0.404 . . . . 20.0 110.565 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -84.8 153.87 61.02 Favored Pre-proline 0 CA--C 1.551 1.009 0 CA-C-N 116.253 -0.431 . . . . 20.0 110.741 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -64.72 156.04 63.72 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 122.385 2.057 . . . . 20.0 112.366 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 49.0 t -89.77 128.49 36.14 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.15 -0.477 . . . . 20.0 110.481 174.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -125.17 -20.08 4.97 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 116.41 -0.359 . . . . 20.0 111.651 -175.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 30.1 p -67.95 -25.79 65.63 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 111.79 0.293 . . . . 20.0 111.79 -175.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.8 pp -139.78 162.38 35.27 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 120.863 0.363 . . . . 20.0 111.026 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -87.02 108.37 18.83 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 116.083 -0.508 . . . . 20.0 111.559 -170.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 33.9 pt -143.7 169.72 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-N 115.9 -0.591 . . . . 20.0 109.984 170.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -75.32 145.2 41.96 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.822 -0.436 . . . . 20.0 109.822 171.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -129.32 120.59 25.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.057 0.456 . . . . 20.0 110.85 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -59.05 145.83 40.64 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.631 -0.713 . . . . 20.0 110.648 177.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -68.06 -9.95 50.0 Favored 'General case' 0 CA--C 1.555 1.144 0 N-CA-C 111.956 0.354 . . . . 20.0 111.956 -171.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -77.56 -15.62 59.14 Favored 'General case' 0 CA--C 1.556 1.206 0 O-C-N 122.329 -0.232 . . . . 20.0 110.909 174.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -90.0 -30.24 17.9 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 120.949 0.404 . . . . 20.0 110.104 169.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 58.1 m -76.67 -5.18 46.83 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 115.911 -0.586 . . . . 20.0 111.958 -172.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -126.79 133.25 50.85 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 120.803 0.335 . . . . 20.0 110.904 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -139.08 134.04 32.39 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 116.072 -0.513 . . . . 20.0 110.572 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 N--CA 1.48 1.04 0 CA-C-N 116.148 -0.478 . . . . 20.0 110.904 179.155 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.11 0 O5'-C5'-C4' 114.082 2.773 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.6 0 O4'-C4'-C3' 108.576 2.976 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.49 0 O5'-C5'-C4' 114.077 2.769 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.485 0 O5'-C5'-C4' 115.243 3.602 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.529 0 P-O3'-C3' 123.359 3.049 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.107 0 O4'-C4'-C3' 108.8 3.2 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.89 0 O4'-C4'-C3' 109.508 3.908 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.813 0 O4'-C4'-C3' 109.185 3.585 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.185 0 C3'-C2'-C1' 97.114 -3.99 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.449 0 C5'-C4'-C3' 110.331 -2.913 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.279 0 P-O3'-C3' 123.618 3.265 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.254 0 P-O3'-C3' 122.756 2.547 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.409 0 P-O3'-C3' 123.539 3.199 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.468 0 P-O3'-C3' 124.02 3.6 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.45 0 O4'-C4'-C3' 108.414 2.814 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.38 0 O4'-C4'-C3' 108.367 2.767 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.28 0 O4'-C4'-C3' 108.76 3.16 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.846 0 O5'-C5'-C4' 114.158 2.827 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.26 0 P-O3'-C3' 123.298 2.998 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.524 0 C1'-O4'-C4' 106.19 -2.507 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.65 0 O4'-C4'-C3' 108.191 2.591 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.254 0 P-O3'-C3' 122.932 2.693 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.77 0 O4'-C4'-C3' 108.596 2.996 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.053 0 C1'-O4'-C4' 104.898 -3.43 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.837 0 O5'-C5'-C4' 114.405 3.004 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.129 0 P-O3'-C3' 123.277 2.981 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.341 2 C3'-C2'-C1' 95.449 -5.179 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.409 -1.659 0 O3'-P-O5' 98.563 -2.862 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 29' ' ' ' DC' . . . . . 0.454 ' P ' HH12 ' A' ' 549' ' ' ARG . . . . . . . . 0 P--O3' 1.577 -2.522 0 C1'-O4'-C4' 105.858 -2.744 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.546 4.409 0 O5'-C5'-C4' 115.455 3.753 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 0 O4'-C4'-C3' 108.57 2.97 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.101 0 P-O3'-C3' 124.198 3.748 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.649 0 O5'-C5'-C4' 114.827 3.305 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.478 0 P-O3'-C3' 123.185 2.905 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.632 0 P-O3'-C3' 123.227 2.939 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.591 0 O4'-C4'-C3' 108.691 3.091 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.525 0 O4'-C4'-C3' 108.634 3.034 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.237 0 P-O3'-C3' 122.871 2.642 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.81 0 CA-C-O 120.817 0.341 . . . . 20.0 110.604 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -159.26 173.45 16.32 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 116.199 -0.455 . . . . 20.0 110.505 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -82.94 131.11 35.2 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.306 -0.407 . . . . 20.0 110.694 178.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -104.95 114.72 29.09 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 116.127 -0.488 . . . . 20.0 110.274 177.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 20.4 mmt -145.03 129.88 18.25 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 116.454 -0.339 . . . . 20.0 110.853 -177.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.81 49.98 1.37 Allowed 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 116.117 -0.492 . . . . 20.0 110.303 176.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 23.5 m -134.7 151.55 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-N 116.159 -0.473 . . . . 20.0 111.281 -173.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -73.4 162.7 29.01 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 115.917 -0.583 . . . . 20.0 110.913 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -132.43 154.17 50.12 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.884 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -135.87 35.32 2.86 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-O 121.317 0.579 . . . . 20.0 110.082 175.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -95.0 12.42 28.51 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.572 -0.74 . . . . 20.0 111.37 -172.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -160.93 176.34 11.53 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 120.891 0.377 . . . . 20.0 111.165 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -136.51 158.15 45.1 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.82 -0.627 . . . . 20.0 110.09 169.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -99.04 136.44 39.0 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.881 0.372 . . . . 20.0 110.831 -177.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.3 tp -134.01 114.6 13.39 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.018 -0.537 . . . . 20.0 110.313 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 29.6 mt -85.76 123.52 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 120.912 0.387 . . . . 20.0 110.541 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 50.0 t -135.71 124.6 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 115.858 -0.61 . . . . 20.0 110.162 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 37.1 t0 50.71 40.48 24.28 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-O 121.076 0.465 . . . . 20.0 111.041 -178.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.15 -23.28 11.63 Favored Glycine 0 CA--C 1.549 2.192 0 CA-C-N 116.162 -0.472 . . . . 20.0 112.94 176.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -87.04 137.35 32.42 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 116.904 0.352 . . . . 20.0 111.04 -177.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 92.5 t -80.58 122.83 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 116.503 -0.317 . . . . 20.0 110.149 171.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -105.03 153.99 20.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.261 -0.427 . . . . 20.0 110.176 172.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -118.0 123.19 45.11 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.266 -0.424 . . . . 20.0 110.119 178.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.3 mt -115.5 129.17 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-O 120.832 0.349 . . . . 20.0 111.14 -170.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 7.4 t -65.82 136.03 55.64 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.168 -0.469 . . . . 20.0 110.611 177.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 29.3 pt -68.53 -39.82 81.13 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 CA-C-N 116.626 -0.261 . . . . 20.0 111.58 -176.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 43.3 t -61.1 -65.02 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 N-CA-C 112.125 0.417 . . . . 20.0 112.125 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 29.7 p -105.05 -5.87 20.49 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 112.614 0.598 . . . . 20.0 112.614 -169.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 60.45 37.7 19.69 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 111.964 0.357 . . . . 20.0 111.964 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -78.44 131.6 36.97 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 109.845 -0.428 . . . . 20.0 109.845 169.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 24.6 p -94.28 143.23 26.57 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 120.916 0.389 . . . . 20.0 111.142 -176.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -135.01 142.82 46.51 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.85 -0.614 . . . . 20.0 110.968 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 72.3 t -80.92 -19.32 11.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-N 116.0 -0.545 . . . . 20.0 110.718 175.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 75.3 m -133.56 134.15 42.99 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.834 0.35 . . . . 20.0 111.065 -178.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 17.2 mt -57.67 -34.88 69.86 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 116.328 -0.396 . . . . 20.0 111.149 177.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 27.8 p -56.97 -38.88 73.62 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-O 120.513 0.197 . . . . 20.0 111.076 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 13.6 m -66.63 -42.89 86.04 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.559 -0.291 . . . . 20.0 110.968 175.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 2.1 tp -61.64 -47.44 85.41 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 116.324 -0.398 . . . . 20.0 110.902 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 51.5 mmm-85 -64.39 -44.17 92.15 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 120.611 0.243 . . . . 20.0 110.617 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -52.51 -45.59 66.3 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 116.126 -0.488 . . . . 20.0 110.674 171.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -70.63 -42.52 70.8 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-N 116.116 -0.493 . . . . 20.0 111.347 -176.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -59.56 -25.28 64.43 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 111.574 0.213 . . . . 20.0 111.574 -174.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -23.35 60.08 Favored 'General case' 0 CA--C 1.565 1.556 0 CA-C-N 116.782 -0.19 . . . . 20.0 111.129 175.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 34.5 mt -76.24 -23.37 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 122.555 0.342 . . . . 20.0 111.061 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -93.12 -43.9 8.63 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 120.735 0.303 . . . . 20.0 111.026 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 82.3 p -78.83 -31.99 46.03 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.311 -0.404 . . . . 20.0 111.401 -174.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 55.3 m95 50.06 34.17 7.91 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 121.301 0.572 . . . . 20.0 110.588 -169.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -59.86 -34.55 73.28 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.698 -0.683 . . . . 20.0 110.917 176.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -136.5 122.85 20.64 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.002 -0.545 . . . . 20.0 110.354 -175.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -94.7 144.02 25.96 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.311 -0.404 . . . . 20.0 110.583 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -122.51 79.85 46.77 Favored Pre-proline 0 CA--C 1.548 0.898 0 CA-C-N 116.026 -0.534 . . . . 20.0 110.116 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.07 146.22 22.68 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.735 2.29 . . . . 20.0 112.879 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 41.1 t -78.63 142.41 37.24 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 115.746 -0.661 . . . . 20.0 110.617 175.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -80.97 -31.12 34.97 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 120.617 0.246 . . . . 20.0 111.159 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -84.27 -25.82 29.08 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-N 116.43 -0.35 . . . . 20.0 111.826 -173.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 13.7 p -144.22 175.13 10.3 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 120.708 0.289 . . . . 20.0 111.016 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -82.25 6.13 17.75 Favored 'General case' 0 CA--C 1.564 1.482 0 N-CA-C 112.16 0.43 . . . . 20.0 112.16 -170.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -65.2 141.65 58.58 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.741 0.305 . . . . 20.0 111.258 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 19.2 t -123.59 129.37 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 115.84 -0.618 . . . . 20.0 109.86 169.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -104.87 149.43 37.53 Favored Pre-proline 0 CA--C 1.541 0.633 0 CA-C-N 116.271 -0.422 . . . . 20.0 110.485 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -81.95 -7.0 12.3 Favored 'Trans proline' 0 CA--C 1.554 1.5 0 C-N-CA 122.897 2.398 . . . . 20.0 112.737 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 9.4 mp -131.6 146.92 52.45 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.628 0.371 . . . . 20.0 110.176 177.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -65.41 -46.56 79.49 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.722 0.296 . . . . 20.0 111.15 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -63.04 -37.7 88.24 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.452 -0.34 . . . . 20.0 111.188 -177.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -60.64 -40.42 91.93 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 120.581 0.229 . . . . 20.0 110.551 177.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -62.65 -49.06 76.66 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.511 -0.313 . . . . 20.0 110.412 174.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 31.1 m -52.5 -56.34 15.81 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.501 -0.318 . . . . 20.0 111.155 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -67.45 -29.94 69.53 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.693 -0.23 . . . . 20.0 110.913 -173.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -67.39 -43.85 80.35 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-O 120.649 0.262 . . . . 20.0 110.791 171.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -68.34 -29.82 68.64 Favored 'General case' 0 CA--C 1.552 1.045 0 O-C-N 122.303 -0.248 . . . . 20.0 111.127 -179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 21.1 mt -63.41 -27.96 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 CA-C-O 120.824 0.345 . . . . 20.0 110.727 170.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -72.54 -26.41 61.74 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 116.308 -0.405 . . . . 20.0 110.853 175.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -79.67 -45.97 18.03 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 116.616 -0.266 . . . . 20.0 111.109 175.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 58.2 p -68.92 -32.6 72.34 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 120.612 0.244 . . . . 20.0 110.799 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 85.7 13.99 68.76 Favored Glycine 0 CA--C 1.537 1.463 0 CA-C-N 116.352 -0.385 . . . . 20.0 112.414 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -63.41 119.44 9.73 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 120.756 0.312 . . . . 20.0 111.181 -176.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.56 147.94 33.56 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 116.238 -0.437 . . . . 20.0 110.206 171.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -136.18 -38.05 0.7 Allowed 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 116.449 -0.341 . . . . 20.0 111.772 -177.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -98.51 115.09 27.81 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 120.634 0.254 . . . . 20.0 110.786 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -105.82 127.93 53.42 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 120.822 0.344 . . . . 20.0 110.639 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 43.4 t -66.21 143.89 56.96 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.213 -0.448 . . . . 20.0 109.96 171.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 86.5 mt -100.4 -15.95 17.77 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 120.493 0.187 . . . . 20.0 111.275 -178.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.01 -49.43 19.86 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-O 120.541 0.21 . . . . 20.0 111.184 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 31.9 p -120.02 -2.11 10.29 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 112.072 0.397 . . . . 20.0 112.072 -174.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 79.99 0.41 85.43 Favored Glycine 0 CA--C 1.556 2.618 0 C-N-CA 120.948 -0.644 . . . . 20.0 113.4 172.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -71.91 139.52 48.79 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 117.3 0.55 . . . . 20.0 111.026 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 57.7 m -106.45 149.15 27.34 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-N 116.245 -0.434 . . . . 20.0 111.299 -176.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -133.58 159.0 41.76 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 116.035 -0.529 . . . . 20.0 111.122 -175.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 3.9 tt -84.92 -26.07 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 CA-C-N 116.085 -0.507 . . . . 20.0 111.573 -173.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -151.98 168.99 23.44 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-O 120.978 0.418 . . . . 20.0 111.018 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -69.96 -36.75 75.5 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.042 -0.527 . . . . 20.0 111.045 -172.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -59.27 -43.53 92.48 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 116.425 -0.352 . . . . 20.0 110.959 -175.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -70.85 -44.84 65.61 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 116.585 -0.28 . . . . 20.0 111.147 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -40.95 91.5 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-O 120.593 0.235 . . . . 20.0 111.008 -176.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 26.0 t -60.74 -48.21 82.81 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 120.72 0.295 . . . . 20.0 110.597 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 21.4 t -59.74 -40.38 87.89 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.344 -0.389 . . . . 20.0 111.054 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -62.31 -50.34 72.05 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.437 -0.347 . . . . 20.0 111.202 -178.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 70.7 mt -64.4 -38.93 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-O 120.642 0.258 . . . . 20.0 110.675 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -67.45 -44.26 79.09 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.445 -0.343 . . . . 20.0 111.167 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 46.5 p -80.62 -33.51 35.73 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 111.823 0.305 . . . . 20.0 111.823 -174.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 73.5 t -93.21 -48.14 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-O 120.558 0.218 . . . . 20.0 111.45 -172.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -100.08 -1.36 37.04 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 116.577 -0.283 . . . . 20.0 111.538 -172.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 44.4 m 54.15 35.82 23.35 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 122.571 0.349 . . . . 20.0 111.312 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -129.86 158.97 38.01 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.273 -0.421 . . . . 20.0 110.791 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -107.35 110.89 63.28 Favored Pre-proline 0 CA--C 1.552 1.028 0 CA-C-N 116.236 -0.438 . . . . 20.0 110.675 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -75.75 -15.08 19.34 Favored 'Trans proline' 0 CA--C 1.547 1.163 0 C-N-CA 122.666 2.244 . . . . 20.0 112.397 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 7.8 t -79.46 -13.08 59.82 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-N 116.498 -0.319 . . . . 20.0 111.141 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -80.77 -129.46 0.9 Allowed Glycine 0 CA--C 1.54 1.623 0 N-CA-C 112.125 -0.39 . . . . 20.0 112.125 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -120.05 29.69 7.39 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 120.833 0.349 . . . . 20.0 110.969 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 60.8 p -89.71 -43.76 10.49 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.529 -0.305 . . . . 20.0 111.182 -177.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 59.18 68.6 0.79 Allowed 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.199 0.524 . . . . 20.0 110.748 -176.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 12.5 mt -101.38 18.73 19.31 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 115.696 -0.684 . . . . 20.0 111.406 -175.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -148.0 163.27 37.38 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 120.855 0.36 . . . . 20.0 111.005 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -135.37 140.88 45.36 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.972 -0.558 . . . . 20.0 110.541 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -98.83 124.54 43.79 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.305 -0.407 . . . . 20.0 110.662 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -101.68 158.83 31.02 Favored Pre-proline 0 CA--C 1.555 1.152 0 CA-C-N 116.224 -0.443 . . . . 20.0 110.692 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.92 144.16 99.51 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 122.687 2.258 . . . . 20.0 112.685 -176.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 52.6 m -100.08 129.29 46.11 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.169 -0.469 . . . . 20.0 110.265 173.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -147.14 -1.06 0.67 Allowed 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.238 0.459 . . . . 20.0 112.238 -171.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 95.4 p -67.41 -20.43 65.53 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 120.58 0.229 . . . . 20.0 111.334 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.97 168.96 18.6 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.464 -0.335 . . . . 20.0 110.655 177.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -79.28 105.93 10.95 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.259 -0.428 . . . . 20.0 111.37 -172.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 27.9 pt -147.89 171.85 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 CA-C-N 115.831 -0.622 . . . . 20.0 110.041 170.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -80.94 147.47 30.27 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 110.163 -0.31 . . . . 20.0 110.163 172.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -125.88 118.78 26.19 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.898 0.38 . . . . 20.0 110.39 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -59.85 151.62 25.22 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.848 -0.614 . . . . 20.0 110.971 -177.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -64.1 -13.45 47.8 Favored 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 112.2 0.445 . . . . 20.0 112.2 -173.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -80.94 -13.61 58.74 Favored 'General case' 0 CA--C 1.557 1.236 0 O-C-N 122.432 -0.167 . . . . 20.0 111.129 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.31 -33.73 25.86 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 120.812 0.339 . . . . 20.0 110.175 169.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 1.5 t -74.08 0.29 14.24 Favored 'General case' 0 CA--C 1.56 1.334 0 CA-C-N 116.147 -0.479 . . . . 20.0 111.523 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -67.8 170.56 7.8 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 120.895 0.379 . . . . 20.0 111.035 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -139.07 156.63 47.04 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 116.29 -0.414 . . . . 20.0 111.044 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.486 1.33 0 CA-C-N 116.102 -0.499 . . . . 20.0 111.165 179.67 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.044 0 O5'-C5'-C4' 114.16 2.829 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.543 0 O4'-C4'-C3' 108.521 2.921 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.433 0 O5'-C5'-C4' 114.069 2.763 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.59 0 O4'-C4'-C3' 109.175 3.575 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.384 0 P-O3'-C3' 123.661 3.301 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 0 O5'-C5'-C4' 114.545 3.103 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.544 4.124 0 O4'-C4'-C3' 109.556 3.956 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.847 0 O4'-C4'-C3' 108.806 3.206 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.557 0 C3'-C2'-C1' 97.685 -3.582 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.209 0 C5'-C4'-C3' 109.617 -3.388 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.18 0 P-O3'-C3' 122.979 2.732 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.045 0 P-O3'-C3' 122.787 2.573 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.382 0 P-O3'-C3' 123.38 3.067 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.5 1 P-O3'-C3' 124.631 4.109 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.439 0 O4'-C4'-C3' 108.561 2.961 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.2 0 O5'-C5'-C4' 115.197 3.569 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.239 0 O4'-C4'-C3' 108.819 3.219 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.881 0 C1'-O4'-C4' 106.229 -2.479 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.426 0 P-O3'-C3' 122.697 2.497 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.623 0 C1'-O4'-C4' 106.146 -2.539 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.665 0 O4'-C4'-C3' 108.351 2.751 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.35 0 P-O3'-C3' 123.016 2.763 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.599 0 P-O3'-C3' 123.541 3.201 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.397 0 C1'-O4'-C4' 105.712 -2.849 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.719 0 O4'-C4'-C3' 108.633 3.033 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.615 0 P-O3'-C3' 123.802 3.418 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.5 0 C3'-C2'-C1' 97.397 -3.788 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.406 -1.96 0 C5'-C4'-C3' 109.331 -3.58 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.935 0 C1'-O4'-C4' 106.1 -2.571 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.544 0 O5'-C5'-C4' 115.564 3.831 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.818 0 P-O3'-C3' 123.371 3.059 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.621 2 O5'-C5'-C4' 116.344 4.389 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.188 0 O5'-C5'-C4' 115.523 3.802 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.465 0 P-O3'-C3' 123.25 2.958 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.551 0 P-O3'-C3' 123.243 2.952 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.629 0 O4'-C4'-C3' 108.612 3.012 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.619 0 O4'-C4'-C3' 108.604 3.004 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.288 0 P-O3'-C3' 122.95 2.708 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.819 0 CA-C-O 120.81 0.338 . . . . 20.0 110.757 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -77.05 154.1 33.73 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 116.279 -0.419 . . . . 20.0 110.851 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -147.92 163.03 38.07 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 116.311 -0.404 . . . . 20.0 110.981 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 85.9 mmt-85 -147.53 147.55 30.25 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 116.081 -0.509 . . . . 20.0 110.624 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 1.8 mmm -167.07 170.48 11.89 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 116.333 -0.394 . . . . 20.0 110.747 176.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -116.22 49.85 1.09 Allowed 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 116.171 -0.468 . . . . 20.0 110.402 175.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 5.8 m -79.29 141.11 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.908 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -70.24 149.24 47.66 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.675 175.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -103.98 147.41 27.4 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 116.067 -0.515 . . . . 20.0 110.758 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -90.92 16.36 9.62 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 116.286 -0.415 . . . . 20.0 111.474 -175.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 11.6 p30 -83.55 9.3 11.71 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 116.503 -0.317 . . . . 20.0 111.24 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -159.47 175.52 13.19 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.828 0.346 . . . . 20.0 111.01 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -138.02 156.84 47.41 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.97 -0.559 . . . . 20.0 110.446 171.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -96.83 140.86 30.77 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 120.863 0.363 . . . . 20.0 110.809 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.7 tp -139.02 113.24 8.76 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.059 -0.519 . . . . 20.0 110.324 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 30.5 mt -84.12 123.56 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-O 120.951 0.405 . . . . 20.0 110.55 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 44.9 t -137.16 129.05 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 115.772 -0.649 . . . . 20.0 110.114 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.41 36.12 19.2 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-O 120.904 0.383 . . . . 20.0 111.282 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.97 0.91 86.73 Favored Glycine 0 CA--C 1.55 2.23 0 CA-C-N 116.408 -0.36 . . . . 20.0 112.94 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 -108.36 136.04 48.65 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.485 0.314 . . . . 20.0 110.647 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 73.3 t -80.04 118.5 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-O 120.724 0.297 . . . . 20.0 110.315 174.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -100.2 155.77 17.57 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.23 -0.441 . . . . 20.0 110.236 171.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -120.48 125.66 48.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.209 -0.451 . . . . 20.0 110.029 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.3 mt -120.49 130.0 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.866 0.365 . . . . 20.0 111.176 -169.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 5.2 t -67.67 136.93 55.11 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 116.157 -0.474 . . . . 20.0 110.656 176.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 35.6 pt -67.62 -40.9 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 N-CA-C 111.712 0.264 . . . . 20.0 111.712 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.91 -64.46 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 112.002 0.371 . . . . 20.0 112.002 -175.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.2 p -105.15 -6.34 19.94 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 112.477 0.547 . . . . 20.0 112.477 -169.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 62.1 36.23 15.34 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 122.679 0.391 . . . . 20.0 111.871 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -73.51 126.35 30.04 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 109.969 -0.382 . . . . 20.0 109.969 169.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 34.6 p -95.52 143.6 26.7 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 120.872 0.368 . . . . 20.0 111.202 -177.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -136.7 143.77 43.56 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.921 -0.581 . . . . 20.0 111.162 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 72.3 t -79.33 -21.14 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-N 115.933 -0.576 . . . . 20.0 110.828 174.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 69.3 m -133.3 133.28 42.37 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 120.762 0.315 . . . . 20.0 110.994 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 24.0 mt -55.31 -32.61 62.6 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 116.384 -0.371 . . . . 20.0 110.935 175.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 29.3 p -56.43 -40.23 74.41 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.585 0.231 . . . . 20.0 111.163 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 19.6 m -67.82 -41.91 82.34 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.61 -0.268 . . . . 20.0 110.925 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 5.9 tp -60.38 -45.93 91.77 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.339 -0.391 . . . . 20.0 110.819 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -59.98 -44.8 94.26 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 120.75 0.309 . . . . 20.0 110.629 178.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -59.01 -38.42 79.19 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.069 -0.514 . . . . 20.0 110.937 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -78.32 -47.39 17.87 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 116.336 -0.393 . . . . 20.0 111.613 -175.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -58.94 -21.83 58.8 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 111.638 0.236 . . . . 20.0 111.638 -170.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -24.27 60.83 Favored 'General case' 0 CA--C 1.562 1.442 0 CA-C-O 120.508 0.194 . . . . 20.0 111.227 175.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 41.8 mt -73.94 -21.28 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 122.436 0.294 . . . . 20.0 111.05 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -94.23 -43.0 8.65 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.606 0.241 . . . . 20.0 110.925 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 94.0 p -74.28 -37.15 63.79 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.446 -0.343 . . . . 20.0 111.381 -175.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 63.7 m95 50.65 30.57 4.99 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.269 0.557 . . . . 20.0 110.504 -169.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -69.84 -32.93 71.59 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.856 -0.611 . . . . 20.0 110.622 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -127.39 115.88 19.62 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.175 -0.466 . . . . 20.0 110.386 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -90.24 146.78 23.98 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 116.342 -0.39 . . . . 20.0 110.731 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -123.64 79.86 55.37 Favored Pre-proline 0 CA--C 1.548 0.896 0 CA-C-N 116.123 -0.49 . . . . 20.0 110.599 178.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.98 145.44 24.92 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.755 2.303 . . . . 20.0 112.721 -177.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 40.5 t -80.75 146.25 31.1 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 115.884 -0.598 . . . . 20.0 110.595 175.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -82.37 -30.56 30.21 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 116.642 -0.254 . . . . 20.0 111.387 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -85.7 -26.61 25.82 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 116.561 -0.291 . . . . 20.0 111.722 -173.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 20.1 p -138.48 162.27 34.93 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 120.781 0.324 . . . . 20.0 110.713 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -80.97 29.36 0.34 Allowed 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 120.768 0.318 . . . . 20.0 111.655 -174.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -87.94 149.62 23.95 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 116.526 -0.306 . . . . 20.0 110.838 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 14.1 t -126.18 135.83 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 116.266 -0.425 . . . . 20.0 110.783 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -110.26 154.23 42.98 Favored Pre-proline 0 CA--C 1.543 0.692 0 CA-C-N 115.974 -0.557 . . . . 20.0 110.726 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -85.55 -4.55 9.21 Favored 'Trans proline' 0 CA--C 1.556 1.591 0 C-N-CA 122.963 2.442 . . . . 20.0 112.974 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.3 mp -132.95 146.94 52.23 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.393 0.277 . . . . 20.0 110.462 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.98 -44.63 92.11 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 116.526 -0.306 . . . . 20.0 110.891 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -55.78 -39.37 71.16 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.549 -0.296 . . . . 20.0 110.903 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 9.5 m-30 -68.62 -38.89 80.9 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.531 -0.304 . . . . 20.0 111.231 -173.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -68.8 -39.79 79.92 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 120.838 -0.345 . . . . 20.0 110.576 173.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 55.2 m -61.85 -57.1 13.13 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.51 0.195 . . . . 20.0 110.824 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -63.88 -32.01 73.39 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.808 -0.178 . . . . 20.0 110.932 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -67.53 -44.92 77.19 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-O 120.689 0.28 . . . . 20.0 110.967 175.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.64 -27.21 64.86 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-O 120.566 0.222 . . . . 20.0 110.827 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 13.1 mt -66.46 -26.8 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-O 120.736 0.303 . . . . 20.0 110.518 169.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -78.99 -30.42 44.32 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 116.324 -0.398 . . . . 20.0 111.153 176.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -72.53 -39.17 67.76 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 120.805 0.336 . . . . 20.0 110.696 175.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 21.6 p -84.76 -13.81 50.09 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 116.083 -0.508 . . . . 20.0 111.309 -177.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 70.22 13.3 70.14 Favored Glycine 0 CA--C 1.541 1.699 0 C-N-CA 121.564 -0.351 . . . . 20.0 112.487 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -57.11 115.06 2.42 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 120.847 0.355 . . . . 20.0 111.062 -176.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -76.7 138.63 40.12 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.327 -0.397 . . . . 20.0 110.218 174.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 51.8 mmm-85 -123.76 -59.19 1.54 Allowed 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 116.191 -0.459 . . . . 20.0 111.198 -172.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -92.44 107.32 19.12 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.707 0.289 . . . . 20.0 110.706 -173.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -98.04 137.44 36.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.352 -0.385 . . . . 20.0 110.6 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 45.9 t -73.23 151.46 41.42 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 109.983 -0.377 . . . . 20.0 109.983 171.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 92.1 mt -110.73 -14.09 14.07 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 120.472 0.177 . . . . 20.0 111.289 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.22 -47.41 28.32 Favored 'General case' 0 CA--C 1.556 1.18 0 CA-C-N 116.673 -0.24 . . . . 20.0 111.112 175.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . 0.988 ' SG ' 'ZN ' ' A' ' 703' ' ' ' ZN' . 31.5 p -120.07 -8.35 9.77 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 112.02 0.378 . . . . 20.0 112.02 -176.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 87.29 -3.93 86.4 Favored Glycine 0 CA--C 1.558 2.752 0 C-N-CA 121.006 -0.616 . . . . 20.0 113.684 172.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -67.79 137.32 55.3 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 117.401 0.6 . . . . 20.0 111.256 -175.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 16.7 m -101.59 135.37 43.23 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-N 116.274 -0.421 . . . . 20.0 111.276 -175.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -123.89 159.19 30.2 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 116.155 -0.475 . . . . 20.0 110.893 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 2.1 tt -80.53 -24.56 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-N 116.289 -0.414 . . . . 20.0 111.733 -172.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 42.5 p30 -154.63 170.48 21.41 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-O 120.955 0.407 . . . . 20.0 111.312 -173.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -64.87 -38.05 89.69 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.027 -0.533 . . . . 20.0 111.146 -176.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.6 mp0 -58.46 -42.94 88.58 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.32 -0.4 . . . . 20.0 110.902 -174.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -69.02 -46.05 68.93 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.603 -0.271 . . . . 20.0 110.951 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -47.03 87.11 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-O 120.483 0.182 . . . . 20.0 111.121 -178.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 8.9 t -64.8 -45.74 84.99 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.633 0.254 . . . . 20.0 110.776 -178.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 24.1 t -58.9 -41.64 87.69 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.812 0.339 . . . . 20.0 110.817 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 31.0 t60 -63.73 -48.97 74.89 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.37 -0.377 . . . . 20.0 111.145 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 66.9 mt -59.35 -45.7 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-O 120.659 0.266 . . . . 20.0 110.54 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -66.49 -40.25 89.17 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.433 -0.349 . . . . 20.0 111.229 -176.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 36.6 p -82.19 -32.55 29.85 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 111.715 0.265 . . . . 20.0 111.715 -174.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 74.0 t -96.92 -50.3 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 CA-C-O 120.435 0.16 . . . . 20.0 111.37 -173.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -100.02 -15.84 18.12 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.592 -0.276 . . . . 20.0 111.501 -172.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 20.2 m 58.38 24.15 11.36 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.703 0.401 . . . . 20.0 111.554 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -89.64 157.39 18.04 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 120.742 0.306 . . . . 20.0 110.616 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -100.76 110.82 61.83 Favored Pre-proline 0 CA--C 1.558 1.284 0 CA-C-N 116.213 -0.449 . . . . 20.0 111.036 -176.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -84.09 0.54 9.2 Favored 'Trans proline' 0 CA--C 1.568 2.222 0 C-N-CA 123.051 2.5 . . . . 20.0 112.992 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 25.3 t -64.25 -30.2 71.26 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 112.114 0.413 . . . . 20.0 112.114 -170.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -74.01 -170.32 21.94 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 110.747 -0.941 . . . . 20.0 110.747 169.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -105.79 31.71 4.85 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 118.152 0.976 . . . . 20.0 110.228 175.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 35.6 m -56.63 -31.55 64.45 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.05 -0.523 . . . . 20.0 110.752 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 582' ' ' LYS . . . . . 0.427 ' C ' ' H ' ' A' ' 584' ' ' TYR . 61.7 mmtt 59.86 69.38 0.71 Allowed 'General case' 0 N--CA 1.476 0.852 0 CA-C-O 121.252 0.549 . . . . 20.0 110.735 -177.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.71 10.4 1.79 Allowed 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 115.475 -0.784 . . . . 20.0 110.316 169.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 584' ' ' TYR . . . . . 0.427 ' H ' ' C ' ' A' ' 582' ' ' LYS . 50.7 p90 -142.7 155.74 44.94 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.181 -177.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -123.36 124.65 43.42 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.29 -0.414 . . . . 20.0 110.394 177.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.7 tt -94.39 107.26 19.23 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 116.313 -0.403 . . . . 20.0 110.445 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -79.92 154.89 75.49 Favored Pre-proline 0 CA--C 1.544 0.746 0 CA-C-N 116.21 -0.45 . . . . 20.0 110.866 -177.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -61.78 149.48 89.85 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 122.443 2.096 . . . . 20.0 112.334 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 47.9 t -89.53 126.13 35.48 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.272 -0.422 . . . . 20.0 110.054 171.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.49 -15.1 6.72 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 116.563 -0.289 . . . . 20.0 111.427 -176.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 46.6 m -66.61 -26.99 67.35 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 116.785 -0.189 . . . . 20.0 111.323 -177.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.5 pp -140.93 164.97 28.81 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 120.869 0.366 . . . . 20.0 111.003 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -83.9 118.89 24.28 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.141 -0.481 . . . . 20.0 111.502 -170.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 28.6 pt -141.78 169.64 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 CA-C-N 115.855 -0.611 . . . . 20.0 110.1 171.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -69.21 141.06 54.59 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 110.001 -0.37 . . . . 20.0 110.001 170.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -116.76 96.7 5.6 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.935 0.397 . . . . 20.0 110.691 -173.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -54.55 143.72 23.62 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.064 -0.516 . . . . 20.0 110.481 176.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.82 -10.74 51.09 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 112.279 0.474 . . . . 20.0 112.279 -171.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -85.04 -16.47 40.62 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.592 0.234 . . . . 20.0 111.019 174.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.19 -38.26 13.6 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 120.876 0.37 . . . . 20.0 110.194 169.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.86 -7.93 57.77 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 116.083 -0.508 . . . . 20.0 111.934 -170.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -154.43 169.88 22.7 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-O 120.892 0.377 . . . . 20.0 110.994 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -64.47 153.2 39.58 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 116.104 -0.498 . . . . 20.0 110.86 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.485 1.318 0 CA-C-N 116.09 -0.505 . . . . 20.0 111.172 178.665 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.154 0 O5'-C5'-C4' 114.126 2.804 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.682 0 O4'-C4'-C3' 108.584 2.984 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.386 0 O5'-C5'-C4' 114.14 2.814 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.543 0 O5'-C5'-C4' 115.206 3.576 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.052 0 P-O3'-C3' 123.248 2.956 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.763 0 P-O3'-C3' 123.495 3.162 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.628 0 O4'-C4'-C3' 109.595 3.995 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.875 0 P-O3'-C3' 123.538 3.198 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.31 0 C3'-C2'-C1' 97.293 -3.862 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.024 0 C5'-C4'-C3' 110.539 -2.774 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.703 0 P-O3'-C3' 123.633 3.277 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.359 0 P-O3'-C3' 122.873 2.645 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.718 0 O5'-C5'-C4' 114.209 2.864 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.568 0 P-O3'-C3' 123.746 3.371 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.633 0 O4'-C4'-C3' 108.56 2.96 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.288 0 O5'-C5'-C4' 114.237 2.884 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.044 0 O4'-C4'-C3' 109.397 3.797 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.613 0 O4'-C4'-C3' 108.875 3.275 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.328 0 C1'-O4'-C4' 106.055 -2.604 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.988 0 O4'-C4'-C3' 108.651 3.051 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.648 0 O5'-C5'-C4' 113.996 2.712 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.442 0 P-O3'-C3' 123.008 2.756 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.797 0 P-O3'-C3' 123.327 3.023 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.992 0 O4'-C4'-C3' 108.155 2.555 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.554 0 O5'-C5'-C4' 114.913 3.366 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.744 0 O5'-C5'-C4' 115.337 3.669 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.566 2 C3'-C2'-C1' 94.814 -5.633 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.498 0 O3'-P-O5' 99.538 -2.349 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.121 0 O5'-C5'-C4' 115.354 3.681 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.703 0 P-O3'-C3' 123.9 3.5 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.645 5.222 1 O5'-C5'-C4' 116.089 4.206 . . . . 20.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.051 0 P-O3'-C3' 124.225 3.77 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.043 0 O5'-C5'-C4' 114.658 3.184 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.46 0 P-O3'-C3' 123.29 2.992 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.38 0 P-O3'-C3' 123.161 2.884 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.581 0 O4'-C4'-C3' 108.684 3.084 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.574 0 O4'-C4'-C3' 108.601 3.001 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.268 0 P-O3'-C3' 122.892 2.66 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 703' ' ' ' ZN' . . . . . 0.988 'ZN ' ' SG ' ' A' ' 555' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.888 0 CA-C-O 120.913 0.387 . . . . 20.0 110.927 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -134.13 154.13 51.39 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 116.1 -0.5 . . . . 20.0 110.647 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -75.08 158.68 32.73 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 116.27 -0.423 . . . . 20.0 111.031 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.07 144.48 23.57 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 116.068 -0.515 . . . . 20.0 110.84 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 5.1 tpt -150.98 152.23 33.24 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.256 -0.429 . . . . 20.0 110.81 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.97 50.56 2.0 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 121.076 0.465 . . . . 20.0 110.538 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 15.7 m -97.99 173.29 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 CA-C-N 115.971 -0.559 . . . . 20.0 111.027 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -72.49 157.92 36.69 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 116.189 -0.46 . . . . 20.0 110.563 173.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -120.57 153.47 36.72 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 116.24 -0.436 . . . . 20.0 110.835 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 -95.3 27.36 3.33 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 116.189 -0.46 . . . . 20.0 111.126 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 45.9 p-10 -86.05 9.69 16.46 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 116.341 -0.39 . . . . 20.0 111.128 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -160.63 176.94 11.0 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.006 0.432 . . . . 20.0 111.379 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -136.36 159.34 42.07 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.518 -0.765 . . . . 20.0 109.802 169.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -100.56 119.75 39.0 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.85 0.357 . . . . 20.0 110.773 -176.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.5 tp -116.98 113.77 22.85 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.019 -0.537 . . . . 20.0 110.27 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 34.6 mt -87.63 123.49 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-O 120.921 0.391 . . . . 20.0 110.6 -178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 38.8 t -138.64 129.45 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 115.878 -0.601 . . . . 20.0 110.24 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.41 37.17 21.91 Favored 'General case' 0 CA--C 1.566 1.563 0 CA-C-O 121.004 0.43 . . . . 20.0 111.213 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.38 2.99 88.44 Favored Glycine 0 CA--C 1.55 2.245 0 C-N-CA 121.458 -0.401 . . . . 20.0 112.881 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -112.06 137.21 50.41 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 116.873 0.337 . . . . 20.0 110.719 -178.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 95.4 t -81.62 121.5 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-O 120.661 0.267 . . . . 20.0 110.358 174.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -107.04 115.57 30.4 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.323 -0.399 . . . . 20.0 110.455 175.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -79.86 116.62 20.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 20.0 110.027 177.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 2.5 mt -110.23 124.78 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-N 116.393 -0.367 . . . . 20.0 110.753 -172.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.6 t -62.55 136.04 57.69 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.089 -0.505 . . . . 20.0 110.664 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 28.5 pt -68.69 -39.4 80.23 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 N-CA-C 111.726 0.269 . . . . 20.0 111.726 -176.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 47.9 t -61.23 -65.35 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 111.781 0.289 . . . . 20.0 111.781 -176.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 27.4 p -104.95 -2.95 23.92 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 112.475 0.546 . . . . 20.0 112.475 -169.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 59.49 35.75 22.86 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 111.919 0.341 . . . . 20.0 111.919 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 -79.02 130.39 35.48 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 110.079 -0.341 . . . . 20.0 110.079 169.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 20.3 p -92.32 144.04 25.79 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 116.42 -0.354 . . . . 20.0 111.145 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -135.82 140.04 43.92 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.007 -0.542 . . . . 20.0 110.898 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 86.8 t -78.4 -20.01 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 CA-C-N 115.946 -0.57 . . . . 20.0 110.944 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 68.1 m -133.59 136.02 44.62 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.52 -0.309 . . . . 20.0 111.053 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.12 -34.27 74.71 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 116.461 -0.336 . . . . 20.0 110.973 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 15.7 p -52.55 -40.7 62.83 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 120.575 0.226 . . . . 20.0 111.002 176.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 22.3 m -67.36 -40.87 85.82 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.562 -0.29 . . . . 20.0 111.085 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 6.8 tp -61.69 -49.07 77.95 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 116.573 -0.285 . . . . 20.0 110.979 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -62.89 -44.01 97.26 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 120.551 0.215 . . . . 20.0 110.617 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -58.24 -41.25 83.76 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.38 -0.373 . . . . 20.0 110.96 174.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -71.26 -44.93 64.3 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-N 116.267 -0.424 . . . . 20.0 111.504 -177.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -60.51 -20.65 60.85 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 111.629 0.233 . . . . 20.0 111.629 -172.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -23.49 62.53 Favored 'General case' 0 CA--C 1.563 1.453 0 CA-C-O 120.566 0.222 . . . . 20.0 111.128 175.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 34.9 mt -77.24 -19.94 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.151 0 C-N-CA 122.457 0.303 . . . . 20.0 111.006 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -96.15 -41.34 8.76 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.679 0.276 . . . . 20.0 110.992 178.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 78.7 p -78.08 -34.96 49.95 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.49 -0.323 . . . . 20.0 111.441 -176.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 53.2 m95 50.6 34.26 9.39 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-O 121.318 0.58 . . . . 20.0 110.114 -169.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.13 -32.65 74.23 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.593 -0.731 . . . . 20.0 110.753 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -130.01 120.27 24.47 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.008 -0.542 . . . . 20.0 110.406 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -90.14 144.46 25.86 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.325 -0.398 . . . . 20.0 110.622 176.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -121.97 80.02 42.17 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 116.073 -0.512 . . . . 20.0 110.393 178.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.41 150.76 25.49 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.822 2.348 . . . . 20.0 112.728 -175.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 45.4 t -87.63 145.4 26.2 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.845 -0.616 . . . . 20.0 110.42 173.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -82.32 -33.03 29.14 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 120.605 0.24 . . . . 20.0 111.18 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -82.64 -24.07 33.96 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 116.416 -0.356 . . . . 20.0 111.671 -172.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.5 p -142.37 163.46 32.78 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 120.733 0.302 . . . . 20.0 110.73 175.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -81.06 30.29 0.33 Allowed 'General case' 0 CA--C 1.565 1.545 0 CA-C-O 120.829 0.347 . . . . 20.0 111.748 -174.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -88.77 147.37 24.48 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 116.467 -0.333 . . . . 20.0 110.864 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 14.5 t -128.66 139.18 52.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 CA-C-N 116.271 -0.422 . . . . 20.0 110.811 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -114.92 156.1 45.56 Favored Pre-proline 0 CA--C 1.547 0.835 0 CA-C-N 115.897 -0.592 . . . . 20.0 110.827 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -85.68 -1.21 8.9 Favored 'Trans proline' 0 CA--C 1.558 1.696 0 C-N-CA 123.039 2.493 . . . . 20.0 112.917 176.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 4.5 mp -136.31 148.91 48.18 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 120.744 0.307 . . . . 20.0 110.748 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.17 -42.56 88.76 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 116.312 -0.404 . . . . 20.0 111.026 175.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -54.47 -42.41 70.65 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.841 0.353 . . . . 20.0 110.702 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -68.19 -38.87 82.46 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.196 -0.456 . . . . 20.0 111.274 -172.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -69.51 -33.14 72.41 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 121.083 -0.247 . . . . 20.0 110.63 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 35.5 m -67.35 -57.65 6.23 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.459 0.171 . . . . 20.0 110.752 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -57.15 -36.12 70.36 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 120.713 0.292 . . . . 20.0 110.849 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -67.99 -46.4 71.43 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 116.562 -0.29 . . . . 20.0 111.135 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -67.75 -27.51 66.84 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 122.4 -0.188 . . . . 20.0 111.056 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 25.1 mt -65.14 -31.74 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-O 120.708 0.29 . . . . 20.0 110.4 170.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.87 -32.33 65.33 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 116.25 -0.432 . . . . 20.0 111.079 176.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -74.39 -41.57 60.75 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 120.743 0.306 . . . . 20.0 111.108 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 19.9 p -80.53 -18.76 47.48 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-N 116.426 -0.352 . . . . 20.0 111.425 -175.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 78.05 11.42 85.4 Favored Glycine 0 CA--C 1.542 1.772 0 C-N-CA 121.56 -0.352 . . . . 20.0 112.485 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -57.25 117.16 3.79 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 120.878 0.37 . . . . 20.0 110.959 -177.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -80.58 140.16 35.91 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.358 -0.383 . . . . 20.0 110.514 176.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 66.4 mtp85 -114.68 -53.86 2.62 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 116.026 -0.534 . . . . 20.0 111.082 -176.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -102.93 120.43 40.62 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.275 -0.42 . . . . 20.0 110.751 -173.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -105.85 131.88 52.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.316 -0.402 . . . . 20.0 110.543 177.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' CYS . . . . . 0.829 ' SG ' 'ZN ' ' A' ' 703' ' ' ' ZN' . 42.2 t -67.48 144.11 55.86 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.115 -0.493 . . . . 20.0 110.052 171.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 79.7 mt -101.2 -15.47 17.32 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 120.525 0.203 . . . . 20.0 111.35 -178.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.17 -49.11 20.51 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 116.715 -0.221 . . . . 20.0 111.134 177.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 28.3 p -120.12 -2.54 10.18 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 112.012 0.375 . . . . 20.0 112.012 -175.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 79.99 2.59 88.85 Favored Glycine 0 CA--C 1.556 2.596 0 C-N-CA 120.99 -0.624 . . . . 20.0 113.603 172.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -72.17 138.18 47.45 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 117.38 0.59 . . . . 20.0 110.975 -177.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 43.8 m -105.08 141.17 37.12 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 116.316 -0.402 . . . . 20.0 111.173 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -127.54 158.82 36.43 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 116.248 -0.433 . . . . 20.0 111.006 -175.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.4 tt -82.98 -25.7 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 116.252 -0.431 . . . . 20.0 111.686 -172.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 31.0 p30 -152.21 172.18 16.78 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 120.989 0.423 . . . . 20.0 111.26 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -68.51 -36.55 79.04 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.926 -0.579 . . . . 20.0 111.376 -175.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.4 mp0 -60.22 -45.15 94.2 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-O 120.709 0.29 . . . . 20.0 110.963 -176.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -68.4 -48.34 64.94 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.568 -0.287 . . . . 20.0 111.091 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -40.02 95.86 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 120.574 0.226 . . . . 20.0 110.775 -177.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 35.2 t -61.73 -49.59 75.8 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.719 0.295 . . . . 20.0 110.628 177.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 27.2 t -60.07 -39.81 87.34 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.32 -0.4 . . . . 20.0 110.945 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -63.4 -49.66 72.93 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 116.485 -0.325 . . . . 20.0 111.187 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 67.8 mt -65.95 -35.45 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 120.634 0.254 . . . . 20.0 110.674 -177.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -67.83 -46.94 70.4 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 116.489 -0.323 . . . . 20.0 111.123 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 30.5 p -78.01 -33.47 51.21 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 111.814 0.302 . . . . 20.0 111.814 -173.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 71.0 t -94.78 -48.58 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 111.486 0.18 . . . . 20.0 111.486 -172.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -100.15 -0.74 38.27 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 116.627 -0.26 . . . . 20.0 111.537 -173.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 37.8 m 55.7 35.62 25.63 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 122.601 0.361 . . . . 20.0 111.406 177.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -132.61 156.2 47.33 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 116.261 -0.427 . . . . 20.0 110.608 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -106.28 109.83 63.45 Favored Pre-proline 0 CA--C 1.551 0.994 0 CA-C-N 116.338 -0.392 . . . . 20.0 110.652 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.87 -13.17 24.17 Favored 'Trans proline' 0 CA--C 1.547 1.148 0 C-N-CA 122.519 2.146 . . . . 20.0 112.448 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 3.0 t -75.43 -13.47 60.39 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 116.555 -0.293 . . . . 20.0 110.944 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -81.9 -134.81 1.9 Allowed Glycine 0 CA--C 1.542 1.755 0 CA-C-N 116.445 -0.343 . . . . 20.0 112.316 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 -119.97 29.61 7.45 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 120.791 0.329 . . . . 20.0 111.401 -177.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 51.7 m -90.76 -40.36 11.87 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.436 -0.347 . . . . 20.0 111.102 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 59.35 72.62 0.52 Allowed 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 121.244 0.545 . . . . 20.0 110.882 -177.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 8.1 mt -105.51 20.43 18.92 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 115.678 -0.692 . . . . 20.0 111.365 -174.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -148.98 163.73 36.64 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 120.901 0.382 . . . . 20.0 111.102 -178.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -136.97 140.84 42.49 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.003 -0.544 . . . . 20.0 110.609 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.78 126.7 41.22 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 116.39 -0.368 . . . . 20.0 110.564 -179.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -106.97 150.23 39.55 Favored Pre-proline 0 N--CA 1.483 1.216 0 CA-C-N 116.454 -0.339 . . . . 20.0 110.822 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -66.11 156.86 62.61 Favored 'Trans proline' 0 CA--C 1.545 1.025 0 C-N-CA 122.599 2.199 . . . . 20.0 112.555 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 37.0 t -97.85 132.0 43.84 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.035 -0.53 . . . . 20.0 110.546 176.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -128.4 -12.23 5.04 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 116.338 -0.392 . . . . 20.0 111.61 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 36.3 m -68.77 -28.0 66.4 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 111.626 0.232 . . . . 20.0 111.626 -175.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.1 pp -139.86 164.2 30.61 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 120.897 0.379 . . . . 20.0 110.849 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.38 109.16 17.64 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 116.122 -0.49 . . . . 20.0 111.446 -171.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 25.0 pt -144.74 168.95 9.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 CA-C-N 115.78 -0.646 . . . . 20.0 109.906 169.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -76.39 141.01 41.59 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 110.064 -0.347 . . . . 20.0 110.064 174.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -123.7 115.16 20.96 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.01 0.433 . . . . 20.0 110.593 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -64.84 160.36 20.53 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.684 -0.689 . . . . 20.0 111.087 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -65.44 -12.47 52.78 Favored 'General case' 0 CA--C 1.561 1.387 0 CA-C-N 116.401 -0.363 . . . . 20.0 111.848 -177.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -84.31 -24.36 29.87 Favored 'General case' 0 CA--C 1.556 1.194 0 O-C-N 122.459 -0.15 . . . . 20.0 110.968 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -34.33 38.37 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 110.076 -0.342 . . . . 20.0 110.076 169.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 4.7 t -71.55 5.11 2.56 Favored 'General case' 0 CA--C 1.561 1.387 0 CA-C-N 116.001 -0.545 . . . . 20.0 111.665 -179.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -55.8 146.22 22.17 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-O 120.885 0.374 . . . . 20.0 111.008 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -63.13 120.73 12.03 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 116.309 -0.405 . . . . 20.0 110.678 -178.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 65.1 m . . . . . 0 N--CA 1.483 1.186 0 CA-C-N 116.143 -0.481 . . . . 20.0 111.03 -176.583 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.052 0 O5'-C5'-C4' 114.159 2.828 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.606 0 O4'-C4'-C3' 108.609 3.009 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.401 0 O5'-C5'-C4' 114.055 2.754 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.589 0 O5'-C5'-C4' 115.243 3.602 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.408 0 P-O3'-C3' 123.37 3.058 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.602 0 O5'-C5'-C4' 114.852 3.323 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.637 4.366 0 O5'-C5'-C4' 115.645 3.89 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.652 0 P-O3'-C3' 123.165 2.887 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.882 1 C3'-C2'-C1' 96.404 -4.497 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.843 0 C5'-C4'-C3' 109.828 -3.248 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.237 0 P-O3'-C3' 123.383 3.069 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.224 0 P-O3'-C3' 122.694 2.495 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.324 0 P-O3'-C3' 123.293 2.994 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.378 0 P-O3'-C3' 123.364 3.053 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.308 0 P-O3'-C3' 123.273 2.977 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.316 0 P-O3'-C3' 123.133 2.861 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.202 0 O4'-C4'-C3' 109.367 3.767 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.916 0 O4'-C4'-C3' 108.674 3.074 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.244 0 C1'-O4'-C4' 105.968 -2.666 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.644 0 C1'-O4'-C4' 105.816 -2.774 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.756 0 O5'-C5'-C4' 113.915 2.653 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.26 0 P-O3'-C3' 122.775 2.563 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.653 0 P-O3'-C3' 123.053 2.794 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.741 0 O5'-C5'-C4' 114.842 3.315 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 0 P-O3'-C3' 123.767 3.39 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.902 0 O4'-C4'-C3' 107.996 2.396 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.588 2 C3'-C2'-C1' 95.632 -5.049 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.612 0 O3'-P-O5' 98.343 -2.977 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.54 0 O4'-C4'-C3' 109.306 3.706 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.683 0 O5'-C5'-C4' 114.11 2.793 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.701 0 C1'-O4'-C4' 104.184 -3.94 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.694 1 P-O3'-C3' 125.064 4.47 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.788 0 O5'-C5'-C4' 115.439 3.742 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.359 0 P-O3'-C3' 123.19 2.908 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.591 0 O4'-C4'-C3' 108.463 2.863 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.598 0 O4'-C4'-C3' 108.623 3.023 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.678 0 O4'-C4'-C3' 108.579 2.979 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.339 0 P-O3'-C3' 122.852 2.626 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 703' ' ' ' ZN' . . . . . 0.829 'ZN ' ' SG ' ' A' ' 552' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.784 0 CA-C-O 120.845 0.355 . . . . 20.0 110.76 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -138.68 155.19 48.47 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 116.198 -0.455 . . . . 20.0 110.748 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -71.92 153.96 41.52 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 116.312 -0.404 . . . . 20.0 110.923 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -68.33 144.11 54.93 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 116.103 -0.498 . . . . 20.0 110.163 175.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 43.7 ttp -80.91 129.74 34.69 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 120.839 0.352 . . . . 20.0 110.903 -175.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.56 49.91 1.69 Allowed 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 116.165 -0.471 . . . . 20.0 111.108 -177.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 27.4 m -132.29 158.78 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 CA-C-N 115.974 -0.557 . . . . 20.0 110.482 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -82.19 168.72 17.38 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 120.858 0.361 . . . . 20.0 111.106 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -133.64 172.14 13.16 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 116.039 -0.528 . . . . 20.0 110.765 -177.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -78.94 42.92 0.48 Allowed 'General case' 0 CA--C 1.56 1.341 0 CA-C-O 121.012 0.435 . . . . 20.0 111.288 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -89.56 8.12 32.86 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 116.146 -0.479 . . . . 20.0 110.505 174.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -161.31 176.07 11.59 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.879 -0.601 . . . . 20.0 110.077 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -134.88 155.49 50.59 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.37 -0.377 . . . . 20.0 110.246 169.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -108.82 122.86 48.06 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.008 0.432 . . . . 20.0 110.653 -174.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 14.6 tp -118.31 117.08 28.12 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.747 -0.66 . . . . 20.0 110.233 -178.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 27.9 mt -88.55 122.9 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.946 0.403 . . . . 20.0 110.589 -178.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 47.4 t -137.67 128.31 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 115.75 -0.659 . . . . 20.0 110.032 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.17 36.65 19.75 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-O 120.955 0.407 . . . . 20.0 111.217 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 80.26 -0.74 83.45 Favored Glycine 0 CA--C 1.55 2.246 0 CA-C-N 116.415 -0.357 . . . . 20.0 112.95 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -105.88 134.07 49.6 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.477 0.311 . . . . 20.0 110.757 -178.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 84.0 t -80.95 122.83 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 110.23 -0.285 . . . . 20.0 110.23 175.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -110.4 114.03 27.16 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.392 -0.367 . . . . 20.0 110.541 177.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -79.79 120.15 23.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.297 -0.41 . . . . 20.0 110.23 177.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.3 mt -113.75 130.94 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.353 -0.385 . . . . 20.0 110.908 -172.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 8.9 t -67.04 136.85 55.88 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.723 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 21.4 pt -68.41 -39.83 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 CA-C-N 116.665 -0.243 . . . . 20.0 111.639 -177.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 52.4 t -61.47 -64.46 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 111.813 0.301 . . . . 20.0 111.813 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 29.7 p -105.04 -4.76 21.58 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 112.726 0.639 . . . . 20.0 112.726 -169.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 58.66 38.48 25.08 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 122.563 0.345 . . . . 20.0 111.796 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -81.12 133.18 35.42 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 109.991 -0.374 . . . . 20.0 109.991 169.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 31.0 p -95.25 141.77 28.46 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 120.881 0.372 . . . . 20.0 111.293 -175.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -134.85 137.06 42.92 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.782 -0.645 . . . . 20.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 72.2 t -76.81 -16.82 14.76 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.853 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 56.7 m -133.9 136.35 44.24 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.447 -0.342 . . . . 20.0 111.047 -177.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 20.5 mt -58.7 -33.41 70.14 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.311 -0.404 . . . . 20.0 110.751 174.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 29.6 p -53.66 -45.89 70.4 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-O 120.639 0.257 . . . . 20.0 110.967 175.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 53.0 m -66.25 -41.83 89.42 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.54 -0.3 . . . . 20.0 110.799 178.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.49 -47.63 85.28 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.514 -0.312 . . . . 20.0 110.84 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -48.51 79.22 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.381 0.272 . . . . 20.0 110.752 179.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -54.38 -38.73 66.49 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 116.21 -0.45 . . . . 20.0 110.933 175.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -75.03 -45.36 42.23 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 116.293 -0.412 . . . . 20.0 111.441 -178.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -61.28 -23.54 65.76 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 120.546 0.212 . . . . 20.0 111.459 -172.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.64 -25.46 62.75 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-N 116.654 -0.248 . . . . 20.0 111.069 174.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 30.8 mt -76.1 -19.02 15.3 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 C-N-CA 122.474 0.31 . . . . 20.0 111.074 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -95.95 -41.64 8.68 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.633 0.254 . . . . 20.0 110.945 177.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 87.7 p -74.93 -36.73 62.14 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.588 -0.278 . . . . 20.0 111.282 -177.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 71.2 m95 49.43 34.29 6.48 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 121.293 0.568 . . . . 20.0 110.38 -169.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -73.99 -30.66 62.59 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.833 -0.621 . . . . 20.0 110.752 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -128.83 117.03 20.37 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.187 -0.46 . . . . 20.0 110.443 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -96.29 151.29 19.66 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.224 -0.444 . . . . 20.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -127.82 80.83 71.41 Favored Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 116.016 -0.538 . . . . 20.0 110.592 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -69.65 145.81 58.94 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.756 2.304 . . . . 20.0 112.584 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 42.8 t -80.54 144.27 32.6 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 115.871 -0.604 . . . . 20.0 110.495 172.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -78.7 -35.15 45.38 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-O 120.642 0.258 . . . . 20.0 111.092 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -81.61 -26.01 35.24 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-N 116.272 -0.422 . . . . 20.0 111.762 -172.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 15.6 p -141.88 167.51 21.97 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.764 0.316 . . . . 20.0 110.968 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.29 11.8 2.71 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 111.995 0.368 . . . . 20.0 111.995 -173.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -71.82 146.52 47.94 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 120.781 0.324 . . . . 20.0 110.989 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 21.8 t -125.89 138.63 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 CA-C-N 116.048 -0.524 . . . . 20.0 110.627 175.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -111.03 148.17 38.09 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 116.014 -0.539 . . . . 20.0 110.813 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -82.44 -3.87 11.51 Favored 'Trans proline' 0 CA--C 1.557 1.649 0 C-N-CA 122.98 2.453 . . . . 20.0 112.522 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.3 mp -130.94 146.7 52.43 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.653 0.381 . . . . 20.0 110.289 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -70.57 -42.14 71.49 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 116.629 -0.259 . . . . 20.0 111.338 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.85 -37.71 88.4 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 121.249 -0.18 . . . . 20.0 110.801 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -59.89 -38.49 82.4 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.486 0.184 . . . . 20.0 110.841 176.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -52.74 64.16 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.891 0.377 . . . . 20.0 110.21 173.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 98.6 m -59.93 -53.9 52.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.822 -0.626 . . . . 20.0 111.301 -174.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -56.5 -40.59 75.24 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 120.704 0.288 . . . . 20.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -68.92 -44.38 73.22 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 116.509 -0.314 . . . . 20.0 111.227 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -67.08 -30.99 71.18 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.555 0.217 . . . . 20.0 110.897 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 51.6 mt -62.75 -43.87 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 110.254 -0.276 . . . . 20.0 110.254 170.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -62.74 -30.95 71.82 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 116.557 -0.292 . . . . 20.0 110.977 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -72.48 -28.55 62.98 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 120.675 0.274 . . . . 20.0 111.096 175.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 18.0 m -89.75 -36.61 15.08 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.4 -0.364 . . . . 20.0 111.202 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 92.45 11.74 59.2 Favored Glycine 0 CA--C 1.546 1.988 0 CA-C-N 116.441 -0.345 . . . . 20.0 112.607 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -60.13 115.58 3.58 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 120.918 0.39 . . . . 20.0 111.018 -177.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 37.0 mmt-85 -89.45 80.81 6.67 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 116.319 -0.401 . . . . 20.0 110.59 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -78.14 -32.24 50.25 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 116.119 -0.491 . . . . 20.0 111.766 -173.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -90.31 96.97 10.91 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.815 0.34 . . . . 20.0 110.622 -174.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -95.1 131.5 41.03 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.926 0.393 . . . . 20.0 111.019 -178.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 43.7 t -70.3 149.35 47.48 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.044 -0.525 . . . . 20.0 110.198 171.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 96.2 mt -106.54 -21.1 13.17 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.605 -0.27 . . . . 20.0 111.269 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -74.99 -50.01 17.99 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-N 116.642 -0.254 . . . . 20.0 111.155 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 28.5 p -117.56 -1.47 11.66 Favored 'General case' 0 CA--C 1.562 1.431 0 N-CA-C 111.878 0.325 . . . . 20.0 111.878 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 82.96 -8.76 62.1 Favored Glycine 0 CA--C 1.557 2.689 0 C-N-CA 121.113 -0.565 . . . . 20.0 113.574 171.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -65.07 140.44 58.83 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 117.399 0.6 . . . . 20.0 111.175 -175.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 25.3 m -104.19 141.4 36.32 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 120.911 0.386 . . . . 20.0 111.234 -176.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -129.72 162.1 29.15 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 116.017 -0.538 . . . . 20.0 110.816 -177.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 8.6 tt -86.42 -26.84 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 CA-C-N 116.268 -0.424 . . . . 20.0 112.11 -169.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 56.0 p30 -153.49 171.46 18.66 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-O 121.101 0.477 . . . . 20.0 111.426 -175.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -60.98 -40.57 93.95 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.876 -0.602 . . . . 20.0 111.101 -177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.5 mp0 -59.31 -44.53 92.56 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 116.502 -0.317 . . . . 20.0 110.929 -175.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -71.29 -47.85 54.3 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.594 -0.275 . . . . 20.0 111.15 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.5 -39.64 92.09 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-O 120.463 0.173 . . . . 20.0 110.954 -177.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 48.5 t -63.82 -48.23 77.62 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 120.674 0.273 . . . . 20.0 110.594 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 40.7 t -57.95 -40.74 81.27 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.372 -0.376 . . . . 20.0 110.865 176.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -64.81 -49.49 70.43 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 116.477 -0.329 . . . . 20.0 111.116 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 84.8 mt -62.41 -39.32 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-O 120.613 0.244 . . . . 20.0 110.679 -178.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -69.23 -39.5 78.49 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.514 -0.312 . . . . 20.0 111.384 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 30.2 p -83.45 -33.0 25.74 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 111.67 0.248 . . . . 20.0 111.67 -175.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 72.3 t -97.05 -48.61 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 CA-C-O 120.433 0.158 . . . . 20.0 111.357 -173.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -100.03 -6.61 26.17 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 116.687 -0.233 . . . . 20.0 111.527 -173.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 89.3 p 51.66 42.87 30.05 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 122.935 0.494 . . . . 20.0 111.454 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -133.45 165.15 25.54 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.174 -0.466 . . . . 20.0 111.15 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -96.59 120.08 62.74 Favored Pre-proline 0 CA--C 1.556 1.181 0 CA-C-N 115.899 -0.591 . . . . 20.0 110.447 177.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -55.81 -28.09 65.53 Favored 'Trans proline' 0 CA--C 1.55 1.308 0 C-N-CA 122.653 2.235 . . . . 20.0 112.746 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 4.5 t -82.95 10.4 7.98 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 122.581 0.353 . . . . 20.0 111.412 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -80.15 -158.5 16.98 Favored Glycine 0 CA--C 1.545 1.907 0 CA-C-N 116.416 -0.356 . . . . 20.0 112.641 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -120.24 29.78 7.31 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-O 120.719 0.295 . . . . 20.0 111.301 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 40.6 m -104.39 0.72 29.36 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 112.161 0.43 . . . . 20.0 112.161 -171.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 52.68 87.56 0.03 OUTLIER 'General case' 0 N--CA 1.507 2.382 0 CA-C-O 121.02 0.438 . . . . 20.0 111.099 -172.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 83.1 mt -120.11 -24.7 5.93 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 112.494 0.553 . . . . 20.0 112.494 -171.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -143.6 156.26 44.53 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.054 0.454 . . . . 20.0 111.428 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -144.56 133.67 22.81 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.712 -0.676 . . . . 20.0 110.19 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.5 tt -102.55 110.16 22.01 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 120.848 0.356 . . . . 20.0 110.546 -175.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -81.65 155.13 71.16 Favored Pre-proline 0 CA--C 1.555 1.137 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.815 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -56.5 148.05 65.48 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 122.596 2.198 . . . . 20.0 112.549 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 46.3 t -85.07 119.62 25.67 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.308 -0.406 . . . . 20.0 110.288 174.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -111.35 -20.02 12.41 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 116.562 -0.29 . . . . 20.0 111.505 -175.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 55.3 m -69.48 -26.62 64.65 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 111.811 0.301 . . . . 20.0 111.811 -173.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.7 pp -146.31 167.89 22.45 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-O 120.839 0.352 . . . . 20.0 111.026 -178.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.89 116.29 22.7 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.075 -0.511 . . . . 20.0 111.539 -170.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 19.9 pt -142.4 167.05 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 CA-C-N 115.871 -0.604 . . . . 20.0 110.366 171.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -74.17 137.56 43.22 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 110.086 -0.339 . . . . 20.0 110.086 170.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -109.61 96.1 6.05 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.191 -0.459 . . . . 20.0 110.754 -171.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -63.44 154.06 33.38 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.028 -0.533 . . . . 20.0 111.15 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.01 -14.04 60.95 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 116.139 -0.482 . . . . 20.0 111.989 -174.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -80.38 -25.23 39.24 Favored 'General case' 0 CA--C 1.552 1.028 0 O-C-N 122.402 -0.186 . . . . 20.0 111.167 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.19 -35.03 56.13 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 109.852 -0.425 . . . . 20.0 109.852 169.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 2.4 t -72.79 -0.57 13.68 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-N 115.769 -0.65 . . . . 20.0 111.494 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -67.18 162.29 22.83 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-O 121.039 0.447 . . . . 20.0 110.974 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -65.29 151.42 46.25 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.103 -0.499 . . . . 20.0 111.51 -175.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 64.8 m . . . . . 0 N--CA 1.478 0.958 0 CA-C-N 115.834 -0.621 . . . . 20.0 110.822 177.051 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.198 0 O4'-C4'-C3' 108.389 2.789 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.663 0 O4'-C4'-C3' 108.558 2.958 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.625 0 O5'-C5'-C4' 113.947 2.676 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.769 0 O5'-C5'-C4' 115.243 3.602 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.223 0 O4'-C4'-C3' 109.3 3.7 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.619 0 P-O3'-C3' 123.681 3.318 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.643 0 P-O3'-C3' 124.065 3.637 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.892 0 P-O3'-C3' 123.436 3.114 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.055 2 C3'-C2'-C1' 96.144 -4.683 . . . . 20.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.154 0 C5'-C4'-C3' 109.903 -3.198 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.372 0 P-O3'-C3' 123.426 3.105 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.234 0 P-O3'-C3' 122.62 2.434 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.627 0 O4'-C4'-C3' 108.519 2.919 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.405 0 O4'-C4'-C3' 108.755 3.155 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.339 0 O4'-C4'-C3' 108.442 2.842 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.724 0 O5'-C5'-C4' 114.284 2.917 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.709 0 P-O3'-C3' 123.014 2.762 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.61 0 O4'-C4'-C3' 109.187 3.587 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.264 0 P-O3'-C3' 122.749 2.541 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.656 0 C1'-O4'-C4' 105.985 -2.654 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.771 0 O4'-C4'-C3' 108.346 2.746 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.185 0 P-O3'-C3' 122.78 2.567 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.485 0 P-O3'-C3' 123.413 3.094 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.244 0 O5'-C5'-C4' 114.655 3.182 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.497 0 O5'-C5'-C4' 114.699 3.213 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.687 0 O5'-C5'-C4' 115.434 3.738 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.592 2 C3'-C2'-C1' 94.907 -5.566 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.656 0 O3'-P-O5' 99.628 -2.301 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.509 2 O5'-C5'-C4' 116.438 4.455 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.79 0 P-O3'-C3' 123.366 3.055 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.325 0 O5'-C5'-C4' 114.615 3.153 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.134 0 P-O3'-C3' 124.12 3.683 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.854 0 P-O3'-C3' 123.379 3.066 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.483 0 O4'-C4'-C3' 108.566 2.966 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.569 0 P-O3'-C3' 123.15 2.875 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.586 0 O4'-C4'-C3' 108.583 2.983 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.834 0 O4'-C4'-C3' 108.633 3.033 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.31 0 P-O3'-C3' 122.881 2.651 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.867 0 CA-C-O 120.897 0.379 . . . . 20.0 110.951 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -75.73 152.42 37.44 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.853 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -134.16 156.97 47.39 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 116.198 -0.455 . . . . 20.0 110.796 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.5 79.79 5.94 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.102 -0.499 . . . . 20.0 110.331 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 77.5 mtm -55.49 135.66 50.44 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 115.751 -0.659 . . . . 20.0 111.034 -174.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -93.39 69.27 4.24 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.087 -0.506 . . . . 20.0 109.799 173.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.08 139.79 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-N 115.941 -0.572 . . . . 20.0 111.548 -169.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -78.69 158.5 28.33 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.735 -0.666 . . . . 20.0 110.322 170.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -120.41 158.81 26.37 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 116.269 -0.423 . . . . 20.0 111.065 -176.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -94.21 11.69 29.3 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 116.123 -0.49 . . . . 20.0 111.296 -178.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 29.1 p30 -82.41 8.07 12.48 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-O 120.743 0.306 . . . . 20.0 111.183 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -161.15 178.55 9.18 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 116.432 -0.349 . . . . 20.0 110.635 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -138.5 157.73 45.61 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.966 -0.561 . . . . 20.0 110.299 170.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -101.13 136.19 41.39 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.329 -0.396 . . . . 20.0 110.699 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.7 tp -133.8 116.19 15.41 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.034 -0.53 . . . . 20.0 110.28 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 23.3 mt -85.74 123.43 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 120.944 0.402 . . . . 20.0 110.542 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.86 125.35 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 115.804 -0.635 . . . . 20.0 110.109 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 39.0 t0 50.66 39.37 21.47 Favored 'General case' 0 CA--C 1.565 1.538 0 CA-C-O 120.991 0.424 . . . . 20.0 111.03 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.43 -25.84 7.74 Favored Glycine 0 CA--C 1.546 2.029 0 CA-C-N 116.202 -0.454 . . . . 20.0 112.854 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 58.0 mtm-85 -82.62 134.37 35.17 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.759 0.279 . . . . 20.0 111.086 -177.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 63.2 t -80.07 117.95 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 110.094 -0.336 . . . . 20.0 110.094 170.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -100.37 156.45 17.24 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.158 -0.474 . . . . 20.0 110.226 173.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -121.18 124.62 45.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 20.0 110.099 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 5.6 mt -119.25 128.3 75.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-O 120.85 0.357 . . . . 20.0 110.988 -170.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 4.1 t -67.31 139.07 57.25 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.671 178.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 37.1 pt -69.13 -39.98 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 111.724 0.268 . . . . 20.0 111.724 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 45.6 t -60.89 -63.67 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 N-CA-C 111.798 0.296 . . . . 20.0 111.798 -175.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.4 p -105.09 -5.56 20.72 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 112.315 0.487 . . . . 20.0 112.315 -169.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 60.8 mttp 57.51 36.27 26.75 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 122.571 0.349 . . . . 20.0 111.758 -177.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -77.53 133.33 38.55 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 109.809 -0.441 . . . . 20.0 109.809 169.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 28.1 p -94.7 147.41 23.35 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.95 0.405 . . . . 20.0 111.24 -176.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -137.78 138.57 39.36 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.667 -0.697 . . . . 20.0 110.889 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 64.5 t -79.67 -16.94 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 116.046 -0.525 . . . . 20.0 110.927 177.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 75.7 m -135.36 138.4 43.31 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.447 -0.342 . . . . 20.0 110.982 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 17.2 mt -58.31 -35.3 71.66 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.421 -0.354 . . . . 20.0 110.646 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 36.6 p -51.29 -43.59 61.68 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 116.515 -0.311 . . . . 20.0 111.084 177.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 34.6 m -66.78 -40.54 88.21 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.427 -0.351 . . . . 20.0 110.954 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 7.8 tp -61.68 -48.16 82.07 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 116.497 -0.32 . . . . 20.0 110.93 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -47.17 82.41 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 120.683 0.278 . . . . 20.0 110.45 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -55.18 -38.93 68.97 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.058 -0.519 . . . . 20.0 110.966 174.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -74.96 -46.61 34.29 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-N 116.201 -0.454 . . . . 20.0 111.53 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -62.08 -23.28 66.41 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 122.41 -0.181 . . . . 20.0 111.42 -172.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -22.1 60.42 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-N 116.772 -0.194 . . . . 20.0 111.08 174.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 28.6 mt -78.09 -20.57 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 122.523 0.329 . . . . 20.0 111.085 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -96.61 -43.83 7.41 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.686 0.279 . . . . 20.0 111.007 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 81.6 p -79.53 -34.38 41.17 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.399 -0.364 . . . . 20.0 111.3 -176.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 58.6 m95 51.03 36.32 14.97 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 121.2 0.524 . . . . 20.0 110.8 -172.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -68.4 -29.78 68.54 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 115.826 -0.625 . . . . 20.0 111.22 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -127.57 131.68 49.95 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 116.39 -0.368 . . . . 20.0 110.444 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -98.15 143.28 28.84 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.194 -0.457 . . . . 20.0 110.701 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -124.09 79.88 58.43 Favored Pre-proline 0 CA--C 1.549 0.918 0 CA-C-N 116.067 -0.515 . . . . 20.0 110.135 172.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -79.33 154.11 24.55 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.849 2.366 . . . . 20.0 112.645 -174.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 46.9 t -92.64 143.15 26.6 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 115.814 -0.63 . . . . 20.0 110.684 177.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -76.81 -35.01 57.88 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 120.924 0.392 . . . . 20.0 110.749 176.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -80.77 -27.71 36.65 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 115.739 -0.664 . . . . 20.0 111.62 -170.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 18.8 p -141.78 162.47 35.41 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 120.692 0.282 . . . . 20.0 110.706 176.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -79.8 31.68 0.25 Allowed 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 120.736 0.303 . . . . 20.0 111.596 -174.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -92.83 152.98 19.13 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 120.766 0.317 . . . . 20.0 110.979 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 10.9 t -129.27 135.47 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 CA-C-N 115.956 -0.566 . . . . 20.0 110.611 173.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -105.65 153.6 39.8 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 116.116 -0.493 . . . . 20.0 110.745 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -85.41 -4.55 9.34 Favored 'Trans proline' 0 CA--C 1.552 1.392 0 C-N-CA 122.961 2.441 . . . . 20.0 112.623 175.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.7 mp -130.82 143.65 50.89 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.703 0.401 . . . . 20.0 110.155 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -70.82 -42.45 70.23 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 120.588 0.232 . . . . 20.0 111.189 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.3 -34.56 76.83 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.58 0.229 . . . . 20.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -63.95 -37.95 89.29 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.719 -0.219 . . . . 20.0 110.535 175.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -51.31 70.47 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.952 0.406 . . . . 20.0 110.082 173.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 54.1 m -61.54 -56.04 24.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.833 -0.621 . . . . 20.0 111.193 -174.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -59.71 -36.88 77.44 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 116.799 -0.182 . . . . 20.0 110.91 -178.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -65.69 -46.86 77.44 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 120.708 0.29 . . . . 20.0 111.019 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -67.41 -30.38 70.13 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-O 120.62 0.248 . . . . 20.0 111.021 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 33.3 mt -63.35 -43.39 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 110.023 -0.362 . . . . 20.0 110.023 169.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -64.49 -31.13 72.21 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 116.289 -0.414 . . . . 20.0 111.087 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -68.88 -22.15 64.2 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 116.63 -0.259 . . . . 20.0 111.135 175.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 22.8 m -99.34 -30.94 11.93 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 116.489 -0.323 . . . . 20.0 111.101 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 83.81 17.06 66.45 Favored Glycine 0 CA--C 1.541 1.685 0 C-N-CA 121.528 -0.367 . . . . 20.0 112.378 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -58.5 123.11 15.11 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.881 0.372 . . . . 20.0 110.806 -176.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 44.4 mmt-85 -88.73 116.6 27.11 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.258 -0.428 . . . . 20.0 110.232 174.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -113.24 -32.35 6.32 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 116.101 -0.5 . . . . 20.0 111.194 -173.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -93.53 90.02 6.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.994 0.426 . . . . 20.0 110.414 -176.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -87.42 130.98 34.46 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.811 -177.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 45.9 t -76.14 154.0 35.78 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 116.295 -0.411 . . . . 20.0 110.078 171.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 83.8 mt -115.02 -20.03 10.66 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.528 -0.306 . . . . 20.0 111.298 -176.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.21 -50.1 17.27 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-O 120.522 0.201 . . . . 20.0 111.074 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 29.4 p -120.1 -9.56 9.57 Favored 'General case' 0 CA--C 1.564 1.502 0 N-CA-C 111.845 0.313 . . . . 20.0 111.845 -177.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 96.57 -12.76 66.07 Favored Glycine 0 CA--C 1.557 2.675 0 C-N-CA 121.148 -0.549 . . . . 20.0 113.499 171.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -56.11 127.84 32.58 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-N 117.189 0.494 . . . . 20.0 111.326 -176.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 68.6 m -104.69 142.77 34.1 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 120.78 0.324 . . . . 20.0 111.291 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -130.25 163.25 27.16 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.057 0.456 . . . . 20.0 111.428 -174.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 2.6 tt -82.89 -24.1 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 CA-C-N 115.98 -0.555 . . . . 20.0 111.794 -172.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 55.7 p30 -153.9 173.0 16.51 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-O 121.128 0.489 . . . . 20.0 111.507 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -62.91 -40.29 97.14 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.741 -0.663 . . . . 20.0 111.206 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -57.32 -45.47 84.2 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.356 -0.384 . . . . 20.0 111.022 -174.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -69.97 -45.36 67.55 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.611 -0.268 . . . . 20.0 110.963 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -57.46 -50.97 71.3 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-O 120.577 0.227 . . . . 20.0 111.186 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 48.0 t -64.38 -43.99 92.74 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.674 -0.239 . . . . 20.0 110.777 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 34.1 t -57.72 -46.13 84.83 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.629 0.252 . . . . 20.0 110.806 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -61.34 -46.41 90.37 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.479 -0.328 . . . . 20.0 111.201 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 47.8 mt -62.64 -40.92 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-N 116.877 -0.147 . . . . 20.0 110.728 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -66.14 -44.05 85.27 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 120.51 0.195 . . . . 20.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 68.5 m -75.63 -36.58 60.19 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.649 -0.251 . . . . 20.0 111.638 -174.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 77.6 t -96.92 -50.11 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 N-CA-C 111.487 0.18 . . . . 20.0 111.487 -171.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -100.19 -21.4 15.54 Favored 'General case' 0 CA--C 1.557 1.236 0 CA-C-N 116.607 -0.269 . . . . 20.0 111.604 -173.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 34.0 m 55.06 41.97 31.3 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 122.884 0.473 . . . . 20.0 111.339 -177.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -117.02 175.25 5.67 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 116.161 -0.472 . . . . 20.0 111.041 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -111.14 111.32 55.92 Favored Pre-proline 0 CA--C 1.563 1.47 0 CA-C-N 116.257 -0.428 . . . . 20.0 111.355 -172.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -86.99 0.35 7.67 Favored 'Trans proline' 0 CA--C 1.565 2.049 0 C-N-CA 123.326 2.684 . . . . 20.0 113.35 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 37.6 t -54.55 -30.11 53.08 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 112.418 0.525 . . . . 20.0 112.418 -169.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -124.27 -169.24 13.04 Favored Glycine 0 N--CA 1.48 1.581 0 N-CA-C 111.048 -0.821 . . . . 20.0 111.048 171.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -75.48 74.78 2.53 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 117.411 0.606 . . . . 20.0 110.712 177.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 68.2 m -82.86 0.6 43.36 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 115.975 -0.557 . . . . 20.0 111.145 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt 62.88 48.23 4.1 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.067 0.461 . . . . 20.0 110.864 -173.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 48.1 mt -116.72 -30.0 5.91 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 115.831 -0.622 . . . . 20.0 111.355 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -143.09 155.28 44.57 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.943 0.402 . . . . 20.0 111.001 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -134.73 129.21 34.34 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.964 -0.562 . . . . 20.0 110.153 178.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.5 tt -97.36 107.89 20.5 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.426 -0.352 . . . . 20.0 110.481 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -79.95 157.36 73.95 Favored Pre-proline 0 CA--C 1.552 1.02 0 CA-C-N 116.334 -0.394 . . . . 20.0 110.906 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -59.5 151.73 66.86 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.477 2.118 . . . . 20.0 112.045 177.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 47.3 t -75.95 117.05 17.27 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.68 0.276 . . . . 20.0 110.39 174.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -102.39 -28.94 11.93 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.036 -0.529 . . . . 20.0 111.336 -174.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 27.0 p -64.75 -28.12 69.36 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 111.782 0.29 . . . . 20.0 111.782 -173.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.4 pp -149.8 166.39 29.6 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 120.95 0.405 . . . . 20.0 111.256 -176.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.34 122.43 31.85 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.044 -0.525 . . . . 20.0 111.397 -172.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 29.0 pt -142.45 172.1 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-N 115.7 -0.682 . . . . 20.0 109.94 173.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -68.91 133.65 48.51 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.81 -0.441 . . . . 20.0 109.81 169.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -109.03 97.1 6.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.002 0.43 . . . . 20.0 110.38 -175.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -53.66 149.17 8.61 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.748 -0.66 . . . . 20.0 110.826 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -60.05 -19.38 52.57 Favored 'General case' 0 CA--C 1.557 1.222 0 N-CA-C 112.175 0.435 . . . . 20.0 112.175 -174.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -76.86 -20.4 56.34 Favored 'General case' 0 CA--C 1.555 1.153 0 O-C-N 122.326 -0.233 . . . . 20.0 111.031 176.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.15 -32.95 16.42 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-O 120.799 0.333 . . . . 20.0 110.514 169.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 1.7 t -80.25 -13.63 59.05 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 116.245 -0.434 . . . . 20.0 112.047 -169.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -133.7 135.93 44.36 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 120.844 0.354 . . . . 20.0 110.96 -176.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -139.05 139.44 37.78 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.116 -0.493 . . . . 20.0 110.812 178.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 90.8 p . . . . . 0 N--CA 1.495 1.8 0 C-N-CA 123.1 0.56 . . . . 20.0 111.624 179.12 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.192 0 O5'-C5'-C4' 114.095 2.782 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.509 0 O5'-C5'-C4' 114.432 3.023 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.43 0 C1'-O4'-C4' 105.323 -3.126 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.976 2 O5'-C5'-C4' 116.492 4.494 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.369 0 O5'-C5'-C4' 114.613 3.152 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.361 0 O5'-C5'-C4' 114.355 2.968 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.6 0 P-O3'-C3' 123.709 3.341 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.618 0 O4'-C4'-C3' 109.027 3.427 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.953 0 O5'-C5'-C4' 115.561 3.829 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.326 0 P-O3'-C3' 122.983 2.736 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.382 0 P-O3'-C3' 123.287 2.989 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.36 0 O4'-C4'-C3' 108.593 2.993 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.382 0 P-O3'-C3' 122.848 2.623 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.239 0 P-O3'-C3' 124.217 3.764 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.411 0 O4'-C4'-C3' 108.399 2.799 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.453 0 P-O3'-C3' 122.772 2.56 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.961 0 P-O3'-C3' 122.794 2.578 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.054 0 P-O3'-C3' 123.63 3.275 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.36 0 C1'-O4'-C4' 105.918 -2.702 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.697 0 C1'-O4'-C4' 105.698 -2.858 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.683 0 O5'-C5'-C4' 114.211 2.865 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.477 0 P-O3'-C3' 122.977 2.731 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.782 0 P-O3'-C3' 123.049 2.791 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.03 0 O5'-C5'-C4' 114.354 2.967 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.143 0 O4'-C4'-C3' 108.774 3.174 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.056 0 O5'-C5'-C4' 114.262 2.901 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.056 2 C3'-C2'-C1' 94.908 -5.566 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.409 -1.707 0 C4'-C3'-O3' 105.112 -2.358 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.575 -2.663 0 O5'-C5'-C4' 115.132 3.523 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.286 0 O4'-C4'-C3' 108.06 2.46 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.639 2.689 0 O4'-C4'-C3' 108.651 3.051 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.073 0 P-O3'-C3' 124.161 3.717 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.774 0 O5'-C5'-C4' 114.808 3.292 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.484 0 P-O3'-C3' 123.049 2.791 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.427 0 P-O3'-C3' 123.147 2.872 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.652 0 O4'-C4'-C3' 108.518 2.918 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.623 0 O4'-C4'-C3' 108.495 2.895 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 0 P-O3'-C3' 122.803 2.586 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.956 0 CA-C-O 120.776 0.322 . . . . 20.0 110.949 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -134.38 154.88 51.11 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.173 -0.467 . . . . 20.0 110.725 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -75.79 151.23 37.58 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 116.279 -0.419 . . . . 20.0 110.745 177.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 50.3 mtt85 -149.46 156.12 41.5 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 116.144 -0.48 . . . . 20.0 110.432 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 67.0 mtt -98.11 79.37 2.58 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 120.986 0.422 . . . . 20.0 110.43 174.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.19 81.37 1.37 Allowed 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 115.929 -0.578 . . . . 20.0 110.289 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.04 173.68 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 116.154 -0.475 . . . . 20.0 110.967 -175.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -145.91 157.16 43.9 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 116.114 -0.493 . . . . 20.0 110.634 173.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -131.95 157.45 44.02 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 116.025 -0.534 . . . . 20.0 110.94 -175.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -92.97 26.6 2.72 Favored 'General case' 0 CA--C 1.556 1.209 0 CA-C-N 116.179 -0.464 . . . . 20.0 111.335 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 -83.94 12.3 6.42 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.501 -0.318 . . . . 20.0 111.193 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -162.0 178.36 8.92 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.007 0.432 . . . . 20.0 111.415 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -137.99 159.12 42.87 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.419 -0.809 . . . . 20.0 109.704 169.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -98.44 136.31 38.76 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.843 0.354 . . . . 20.0 110.893 -175.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.9 tp -136.55 115.3 12.1 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.007 -0.542 . . . . 20.0 110.33 177.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 23.8 mt -86.22 124.47 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.886 0.374 . . . . 20.0 110.635 -178.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 49.2 t -136.17 125.17 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 115.829 -0.623 . . . . 20.0 110.126 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 36.1 t0 49.77 41.0 21.56 Favored 'General case' 0 CA--C 1.564 1.49 0 CA-C-O 121.067 0.461 . . . . 20.0 111.086 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.15 -22.63 14.15 Favored Glycine 0 CA--C 1.547 2.08 0 CA-C-N 116.216 -0.447 . . . . 20.0 113.004 176.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 57.2 mtt85 -88.23 136.36 33.02 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 116.905 0.352 . . . . 20.0 110.961 -176.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 92.0 t -80.8 117.22 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.131 171.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -96.87 150.0 21.23 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.285 172.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -114.3 117.96 32.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 20.0 110.052 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.8 mt -112.63 128.29 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-N 116.396 -0.366 . . . . 20.0 111.037 -170.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.5 t -64.36 135.15 55.88 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 116.235 -0.439 . . . . 20.0 110.787 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 12.8 pt -67.96 -40.81 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 N-CA-C 111.693 0.257 . . . . 20.0 111.693 -175.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.76 -63.54 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 N-CA-C 111.831 0.308 . . . . 20.0 111.831 -175.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 30.3 p -105.13 -2.74 23.89 Favored 'General case' 0 CA--C 1.563 1.45 0 CA-C-N 116.044 -0.525 . . . . 20.0 112.382 -169.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 58.04 40.65 25.18 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 122.616 0.367 . . . . 20.0 111.782 -177.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -82.41 130.86 35.2 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 116.366 -0.379 . . . . 20.0 110.182 169.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 37.1 p -95.42 152.23 18.58 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 120.941 0.4 . . . . 20.0 111.407 -176.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . 0.566 ' HH ' ' CG ' ' A' ' 512' ' ' HIS . 77.4 m-85 -142.68 144.52 32.77 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.742 -0.663 . . . . 20.0 111.13 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 92.5 t -79.27 -21.91 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 116.09 -0.504 . . . . 20.0 110.835 174.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 83.6 m -132.11 136.26 47.01 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.43 -0.35 . . . . 20.0 110.959 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 13.5 mt -56.25 -33.08 65.09 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-N 116.39 -0.368 . . . . 20.0 110.828 175.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 82.2 p -55.2 -40.71 71.08 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 116.491 -0.322 . . . . 20.0 110.926 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 6.2 m -70.53 -38.06 74.18 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.32 -0.4 . . . . 20.0 110.792 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.46 -47.25 82.58 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 116.416 -0.356 . . . . 20.0 110.842 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -47.0 84.88 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 120.679 0.276 . . . . 20.0 110.628 176.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -54.63 -46.92 73.99 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 116.13 -0.487 . . . . 20.0 110.907 175.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . 0.566 ' CG ' ' HH ' ' A' ' 503' ' ' TYR . 16.2 t60 -70.91 -46.51 62.39 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.266 -0.425 . . . . 20.0 111.399 -176.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -61.95 -23.56 66.45 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.664 -0.244 . . . . 20.0 111.059 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -20.54 49.17 Favored 'General case' 0 CA--C 1.566 1.586 0 CA-C-N 116.596 -0.274 . . . . 20.0 111.215 174.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 25.6 mt -81.89 -18.75 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 122.493 0.317 . . . . 20.0 111.164 178.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -98.63 -46.46 5.7 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 120.748 0.309 . . . . 20.0 110.686 177.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 84.5 p -76.89 -34.64 57.74 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.201 -0.454 . . . . 20.0 111.365 -176.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 65.4 m95 53.03 37.58 25.08 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.365 0.603 . . . . 20.0 110.033 -169.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -60.29 -37.12 79.52 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.433 -0.803 . . . . 20.0 110.951 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -134.5 122.6 22.66 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 116.231 -0.441 . . . . 20.0 110.612 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -89.99 149.62 22.48 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.522 -0.308 . . . . 20.0 110.732 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -127.76 79.94 72.78 Favored Pre-proline 0 CA--C 1.551 1.019 0 CA-C-N 116.145 -0.479 . . . . 20.0 110.685 177.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -69.82 150.43 67.84 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.84 2.36 . . . . 20.0 112.607 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 44.0 t -90.91 144.45 25.67 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 115.958 -0.564 . . . . 20.0 110.487 174.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -77.93 -39.99 41.07 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 120.79 0.329 . . . . 20.0 110.978 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -80.27 -20.91 43.35 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-N 115.988 -0.551 . . . . 20.0 111.897 -169.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.5 p -145.06 163.92 32.78 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 120.787 0.327 . . . . 20.0 110.693 174.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -80.78 29.63 0.32 Allowed 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 120.751 0.31 . . . . 20.0 111.756 -174.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -88.17 149.25 23.99 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 116.536 -0.302 . . . . 20.0 110.953 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 27.0 t -125.77 133.88 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-N 116.233 -0.439 . . . . 20.0 110.49 172.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -103.31 151.26 38.55 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-N 116.186 -0.461 . . . . 20.0 110.692 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -84.86 -2.97 9.77 Favored 'Trans proline' 0 CA--C 1.554 1.516 0 C-N-CA 122.902 2.401 . . . . 20.0 112.345 173.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 7.0 mp -131.63 135.64 47.1 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.872 0.469 . . . . 20.0 110.126 177.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.6 -42.26 87.16 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 120.542 0.211 . . . . 20.0 111.2 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -62.28 -35.35 78.74 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 116.568 -0.287 . . . . 20.0 110.981 -179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -66.39 -35.9 81.49 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.577 -0.283 . . . . 20.0 110.751 176.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -50.42 73.95 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.541 -0.3 . . . . 20.0 110.264 172.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 6.0 m -59.56 -53.57 56.55 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.324 -0.398 . . . . 20.0 110.724 -176.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -56.23 -40.05 73.5 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 116.593 -0.276 . . . . 20.0 110.979 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -67.15 -44.76 78.97 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-O 120.655 0.264 . . . . 20.0 111.198 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -69.39 -29.56 67.35 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-O 120.505 0.193 . . . . 20.0 111.085 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 36.7 mt -64.39 -30.83 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-O 120.715 0.293 . . . . 20.0 110.493 170.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -76.38 -28.57 56.79 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.343 -0.389 . . . . 20.0 111.126 177.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -74.3 -43.38 56.99 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 120.76 0.314 . . . . 20.0 110.781 174.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 23.6 p -83.13 -16.03 48.39 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 116.189 -0.459 . . . . 20.0 111.29 -176.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 72.59 17.01 77.73 Favored Glycine 0 CA--C 1.544 1.862 0 C-N-CA 121.543 -0.36 . . . . 20.0 112.749 175.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -58.84 124.29 19.33 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 120.906 0.384 . . . . 20.0 111.07 -175.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -100.2 80.08 2.23 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.203 -0.453 . . . . 20.0 110.689 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -76.77 -29.96 56.32 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-N 116.231 -0.441 . . . . 20.0 111.53 -174.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -94.02 100.01 12.21 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.825 0.345 . . . . 20.0 110.678 -172.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -101.37 132.65 46.84 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.328 -0.396 . . . . 20.0 111.122 -174.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 49.5 t -70.33 149.75 47.04 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.046 -0.525 . . . . 20.0 110.237 169.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 91.8 mt -105.92 -16.58 14.6 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 120.543 0.211 . . . . 20.0 111.35 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.1 -48.6 23.02 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 116.77 -0.195 . . . . 20.0 111.05 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 28.1 p -120.07 -2.84 10.16 Favored 'General case' 0 CA--C 1.561 1.403 0 N-CA-C 111.871 0.323 . . . . 20.0 111.871 -176.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 81.28 -3.43 77.44 Favored Glycine 0 CA--C 1.556 2.611 0 C-N-CA 121.019 -0.61 . . . . 20.0 113.594 172.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -68.89 141.71 54.97 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 117.424 0.612 . . . . 20.0 111.051 -176.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 17.0 m -109.28 138.64 45.33 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 116.3 -0.409 . . . . 20.0 111.14 -175.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -124.04 157.21 35.02 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 116.027 -0.533 . . . . 20.0 110.953 -175.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.6 tt -73.87 -26.04 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 116.038 -0.528 . . . . 20.0 111.63 -171.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 38.6 p30 -156.21 169.78 23.75 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-O 121.132 0.492 . . . . 20.0 111.171 -176.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -60.8 -35.7 77.16 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.871 -0.604 . . . . 20.0 111.288 -177.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -65.49 -45.72 82.51 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.557 -0.292 . . . . 20.0 110.992 -174.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -64.88 -44.38 89.85 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.597 -0.274 . . . . 20.0 110.617 176.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 33.7 ttp -56.93 -48.38 78.44 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.493 -0.321 . . . . 20.0 110.923 178.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 39.8 t -62.34 -46.93 86.48 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.477 -0.329 . . . . 20.0 110.772 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 17.7 t -59.4 -41.12 88.67 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.483 -0.326 . . . . 20.0 110.824 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -63.83 -48.06 78.3 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.338 -0.392 . . . . 20.0 111.027 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.94 -38.18 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 120.646 0.26 . . . . 20.0 110.677 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -68.01 -45.51 73.83 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.432 -0.349 . . . . 20.0 111.032 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 25.0 p -76.59 -35.06 58.36 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 111.934 0.346 . . . . 20.0 111.934 -173.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 72.9 t -96.2 -47.18 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 N-CA-C 111.427 0.158 . . . . 20.0 111.427 -172.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -100.04 -5.16 28.49 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.664 -0.244 . . . . 20.0 111.534 -173.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 1.9 t 55.93 37.71 29.17 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 120.929 0.395 . . . . 20.0 111.174 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -129.92 160.12 34.53 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.172 -0.467 . . . . 20.0 110.716 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -105.5 110.81 64.69 Favored Pre-proline 0 CA--C 1.55 0.981 0 CA-C-N 116.24 -0.436 . . . . 20.0 110.697 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -75.63 -18.0 17.75 Favored 'Trans proline' 0 CA--C 1.547 1.163 0 C-N-CA 122.586 2.191 . . . . 20.0 112.492 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 8.8 t -76.55 -12.49 60.03 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 120.693 0.283 . . . . 20.0 110.989 177.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -81.74 -130.34 1.21 Allowed Glycine 0 CA--C 1.54 1.601 0 N-CA-C 112.231 -0.348 . . . . 20.0 112.231 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -120.03 29.75 7.36 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-O 120.803 0.335 . . . . 20.0 111.107 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 53.5 p -90.34 -46.51 8.34 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 116.541 -0.3 . . . . 20.0 111.134 -177.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt 58.09 76.3 0.34 Allowed 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.344 0.593 . . . . 20.0 110.938 -177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 4.9 mt -110.15 22.96 14.94 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 115.452 -0.794 . . . . 20.0 111.328 -174.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -152.68 165.22 35.97 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.004 0.43 . . . . 20.0 111.451 -173.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -140.36 133.55 29.62 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.845 -0.616 . . . . 20.0 110.398 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -98.58 107.28 19.7 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 116.452 -0.34 . . . . 20.0 110.522 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -79.92 160.54 68.64 Favored Pre-proline 0 CA--C 1.553 1.079 0 CA-C-N 116.165 -0.471 . . . . 20.0 110.909 -178.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -60.04 149.31 85.22 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 122.626 2.217 . . . . 20.0 112.384 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 18.2 t -84.52 112.37 20.34 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.245 -0.434 . . . . 20.0 110.372 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 52.1 mmm-85 -105.51 -34.83 7.66 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 116.517 -0.31 . . . . 20.0 111.27 -172.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 32.3 m -67.87 -23.19 65.1 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 115.915 -0.584 . . . . 20.0 111.807 -170.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 3.4 mt -102.02 175.09 5.65 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.169 0.509 . . . . 20.0 111.478 -178.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -108.55 98.07 7.64 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.317 -0.856 . . . . 20.0 109.733 169.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 17.8 pt -140.67 171.74 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 116.261 -0.427 . . . . 20.0 110.607 -175.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -75.57 140.93 42.98 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 110.137 -0.32 . . . . 20.0 110.137 171.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -112.64 97.98 6.94 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.951 0.405 . . . . 20.0 110.881 -170.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . 0.446 ' HH ' " C1'" ' E' ' 28' ' ' ' DG' . 77.7 m-85 -55.13 137.77 45.99 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.055 -0.52 . . . . 20.0 110.768 178.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -67.9 -15.59 63.69 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 112.045 0.387 . . . . 20.0 112.045 -171.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -76.53 -16.47 59.62 Favored 'General case' 0 CA--C 1.554 1.126 0 O-C-N 122.453 -0.154 . . . . 20.0 111.293 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -81.41 -33.31 32.29 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 120.587 0.232 . . . . 20.0 110.592 171.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 26.0 t -60.83 -70.21 0.19 Allowed 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 116.245 -0.434 . . . . 20.0 110.63 -178.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -157.71 137.1 11.92 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.778 0.323 . . . . 20.0 110.703 176.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -52.64 136.19 33.36 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 116.216 -0.447 . . . . 20.0 111.161 -177.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.484 1.268 0 CA-C-N 115.881 -0.599 . . . . 20.0 111.15 179.676 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.419 0 O4'-C4'-C3' 107.694 2.094 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.454 0 O4'-C4'-C3' 108.721 3.121 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.572 0 O5'-C5'-C4' 114.433 3.023 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.927 1 O5'-C5'-C4' 116.181 4.272 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.515 0 O5'-C5'-C4' 115.002 3.43 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.351 0 O5'-C5'-C4' 114.452 3.037 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.57 0 O4'-C4'-C3' 109.003 3.403 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.444 0 P-O3'-C3' 123.395 3.079 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.463 0 C3'-C2'-C1' 98.107 -3.281 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.275 0 O3'-P-O5' 97.205 -3.576 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.285 0 P-O3'-C3' 123.599 3.249 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.052 0 P-O3'-C3' 122.894 2.662 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.305 0 P-O3'-C3' 123.051 2.793 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.555 0 P-O3'-C3' 124.255 3.796 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.36 0 O4'-C4'-C3' 108.299 2.699 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.374 0 P-O3'-C3' 122.716 2.514 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.903 0 O4'-C4'-C3' 109.589 3.989 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.08 0 O4'-C4'-C3' 108.987 3.387 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.391 0 C1'-O4'-C4' 105.88 -2.729 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.537 0 C1'-O4'-C4' 105.812 -2.777 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.73 0 O5'-C5'-C4' 114.033 2.738 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.239 0 O5'-C5'-C4' 113.88 2.628 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.531 0 P-O3'-C3' 123.368 3.057 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.189 0 C1'-O4'-C4' 105.778 -2.801 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.341 0 O5'-C5'-C4' 115.572 3.837 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.89 1 O5'-C5'-C4' 116.154 4.253 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.037 1 C3'-C2'-C1' 96.441 -4.47 . . . . 20.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' E' E ' 28' ' ' ' DG' . . . . . 0.446 " C1'" ' HH ' ' A' ' 597' ' ' TYR . . . . . . . . 0 C5'--C4' 1.523 1.492 0 P-O3'-C3' 123.761 3.384 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.849 0 C1'-O4'-C4' 106.725 -2.125 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.566 0 O4'-C4'-C3' 108.309 2.709 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.273 0 C1'-O4'-C4' 105.068 -3.308 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.698 1 P-O3'-C3' 125.228 4.607 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.88 0 O5'-C5'-C4' 114.821 3.301 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.491 0 P-O3'-C3' 122.936 2.697 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.514 0 O4'-C4'-C3' 108.409 2.809 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.664 0 O4'-C4'-C3' 108.609 3.009 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.602 0 O4'-C4'-C3' 108.651 3.051 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.166 0 P-O3'-C3' 122.936 2.696 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.893 0 CA-C-O 120.919 0.39 . . . . 20.0 110.892 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 51.9 p30 -148.7 170.67 17.64 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 116.198 -0.455 . . . . 20.0 110.932 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -75.37 152.49 38.06 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 116.235 -0.439 . . . . 20.0 111.07 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -144.69 133.76 22.72 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 116.115 -0.493 . . . . 20.0 110.37 178.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -95.64 79.63 3.38 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 120.92 0.391 . . . . 20.0 110.903 -175.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.88 49.87 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 116.0 -0.546 . . . . 20.0 110.349 173.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 30.6 m -122.39 155.77 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 CA-C-N 115.598 -0.728 . . . . 20.0 110.876 -177.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -74.8 157.79 34.56 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 116.218 -0.446 . . . . 20.0 110.636 176.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -137.08 118.37 14.59 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.226 -0.443 . . . . 20.0 110.96 -178.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -87.65 7.45 29.9 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 116.063 -0.517 . . . . 20.0 110.83 174.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -79.06 7.62 7.09 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 122.591 0.357 . . . . 20.0 111.467 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -153.81 168.78 25.18 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.83 0.347 . . . . 20.0 110.914 177.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -133.55 156.48 47.72 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.95 -0.568 . . . . 20.0 110.067 169.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -109.21 126.67 53.54 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.015 0.436 . . . . 20.0 110.84 -174.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.4 tp -121.05 113.8 20.57 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.742 -0.663 . . . . 20.0 110.184 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 24.8 mt -85.04 122.7 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 120.88 0.371 . . . . 20.0 110.494 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 46.1 t -134.92 125.31 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 115.867 -0.606 . . . . 20.0 110.137 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 37.1 t0 50.07 39.01 18.2 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 121.012 0.434 . . . . 20.0 111.073 -178.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.27 -17.28 43.89 Favored Glycine 0 CA--C 1.55 2.254 0 CA-C-N 116.27 -0.423 . . . . 20.0 113.014 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -92.1 135.21 34.16 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 116.956 0.378 . . . . 20.0 111.124 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 70.4 t -80.04 122.47 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 116.377 -0.374 . . . . 20.0 110.153 172.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -109.23 114.75 28.71 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.44 -0.346 . . . . 20.0 110.567 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -79.83 124.18 28.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.331 -0.395 . . . . 20.0 110.17 177.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.0 mt -118.64 131.69 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-O 120.837 0.351 . . . . 20.0 110.87 -172.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 496' ' ' CYS . . . . . 0.605 ' SG ' 'ZN ' ' A' ' 701' ' ' ' ZN' . 5.5 t -67.39 135.57 53.39 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.04 -0.527 . . . . 20.0 110.617 176.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 42.7 pt -68.31 -39.55 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 N-CA-C 111.549 0.203 . . . . 20.0 111.549 -176.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 44.9 t -60.91 -64.27 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 111.96 0.355 . . . . 20.0 111.96 -176.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 31.5 p -104.98 -6.29 20.2 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 112.459 0.54 . . . . 20.0 112.459 -169.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 60.51 38.44 19.03 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 122.643 0.377 . . . . 20.0 111.881 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -80.98 129.41 34.52 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 110.012 -0.366 . . . . 20.0 110.012 169.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 30.9 p -93.65 144.43 25.4 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 120.942 0.401 . . . . 20.0 111.372 -175.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -135.89 135.7 39.91 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.739 -0.664 . . . . 20.0 110.819 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 50.7 t -72.98 -18.35 18.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 116.062 -0.517 . . . . 20.0 110.966 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 86.4 m -127.92 164.92 21.23 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 120.931 0.396 . . . . 20.0 110.88 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 10.4 mt -82.13 -33.05 29.81 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.189 -0.46 . . . . 20.0 110.618 172.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 40.7 p -60.04 -40.09 88.19 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 116.624 -0.262 . . . . 20.0 111.232 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 2.6 p -70.47 -36.74 74.06 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.604 -0.271 . . . . 20.0 111.043 177.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 2.8 tp -64.67 -47.2 79.3 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 116.75 -0.204 . . . . 20.0 110.838 175.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -54.91 -49.99 69.89 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 120.745 0.307 . . . . 20.0 110.551 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -55.0 -47.47 74.62 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 115.924 -0.58 . . . . 20.0 110.842 175.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -66.58 -45.59 78.76 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.175 -0.466 . . . . 20.0 111.51 -174.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -61.14 -23.79 65.8 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 120.497 0.189 . . . . 20.0 111.353 -173.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -24.93 63.62 Favored 'General case' 0 CA--C 1.563 1.444 0 CA-C-N 116.808 -0.178 . . . . 20.0 111.089 175.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 32.3 mt -75.13 -21.29 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 122.443 0.297 . . . . 20.0 111.144 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -95.89 -42.0 8.52 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.686 0.279 . . . . 20.0 111.042 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 95.7 p -73.95 -37.34 64.58 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.509 -0.314 . . . . 20.0 111.289 -176.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 70.4 m95 50.27 30.84 4.69 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.181 0.515 . . . . 20.0 110.513 -169.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.06 -33.21 70.03 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.875 -0.602 . . . . 20.0 110.657 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -126.31 116.82 21.82 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.055 -0.521 . . . . 20.0 110.393 177.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -93.86 147.06 23.43 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.353 -0.385 . . . . 20.0 110.754 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -122.68 80.01 48.2 Favored Pre-proline 0 CA--C 1.547 0.843 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.271 176.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -76.02 136.28 18.21 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.787 2.325 . . . . 20.0 112.449 -177.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.83 142.16 57.43 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.881 -0.599 . . . . 20.0 110.664 176.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -76.94 -33.16 57.71 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 116.686 -0.234 . . . . 20.0 111.172 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -87.98 -19.93 26.55 Favored 'General case' 0 CA--C 1.56 1.36 0 N-CA-C 112.073 0.397 . . . . 20.0 112.073 -172.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.1 p -144.75 170.25 16.47 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-O 120.833 0.349 . . . . 20.0 110.905 177.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -80.46 3.38 21.64 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 111.941 0.348 . . . . 20.0 111.941 -173.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -68.17 142.35 55.74 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 120.772 0.32 . . . . 20.0 111.013 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 15.9 t -120.82 134.65 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-N 116.137 -0.483 . . . . 20.0 110.679 175.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -106.02 150.28 39.1 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.02 -0.536 . . . . 20.0 110.609 177.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -84.15 -5.43 10.36 Favored 'Trans proline' 0 CA--C 1.55 1.313 0 C-N-CA 122.848 2.365 . . . . 20.0 112.57 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 9.5 mp -130.95 143.75 50.96 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.77 0.428 . . . . 20.0 110.092 177.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.07 -46.31 78.17 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 120.672 0.272 . . . . 20.0 111.054 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.03 -36.44 79.56 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 116.615 -0.266 . . . . 20.0 111.128 -177.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -64.38 -39.06 93.13 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.431 0.158 . . . . 20.0 110.718 177.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -49.54 71.96 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.609 -0.268 . . . . 20.0 110.327 173.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 36.3 m -52.83 -56.15 17.87 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.494 -0.321 . . . . 20.0 110.845 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -61.73 -33.3 73.81 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.745 -0.207 . . . . 20.0 111.044 -177.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -70.56 -40.4 73.37 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 120.635 0.255 . . . . 20.0 110.851 177.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -67.19 -32.47 73.57 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 122.335 -0.228 . . . . 20.0 110.671 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 38.8 mt -65.45 -25.05 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 CA-C-O 120.725 0.298 . . . . 20.0 110.69 171.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -74.97 -26.26 59.46 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.376 -0.375 . . . . 20.0 110.976 173.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -79.15 -42.28 26.56 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 120.536 0.207 . . . . 20.0 110.98 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 67.9 p -72.09 -35.34 69.18 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 120.599 0.237 . . . . 20.0 110.792 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 88.33 11.32 66.96 Favored Glycine 0 CA--C 1.54 1.616 0 CA-C-N 116.398 -0.365 . . . . 20.0 112.442 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . 0.412 ' CD ' ' HG ' ' A' ' 589' ' ' CYS . 12.2 tt0 -65.37 132.69 49.64 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 120.853 0.359 . . . . 20.0 110.976 -178.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -87.13 143.21 27.4 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.894 0.378 . . . . 20.0 110.675 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.25 -53.98 2.57 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 116.042 -0.526 . . . . 20.0 110.898 -177.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -105.06 124.3 49.29 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.179 -0.464 . . . . 20.0 110.97 -175.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -102.08 131.04 48.78 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.334 -0.394 . . . . 20.0 110.462 174.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 43.7 t -68.92 144.41 54.19 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.292 -0.413 . . . . 20.0 110.047 172.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 86.5 mt -102.67 -16.31 16.07 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 120.525 0.203 . . . . 20.0 111.364 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.23 -49.14 20.31 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-N 116.695 -0.23 . . . . 20.0 111.15 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 31.0 p -120.07 -5.24 10.02 Favored 'General case' 0 CA--C 1.563 1.45 0 N-CA-C 111.968 0.358 . . . . 20.0 111.968 -175.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 84.8 -2.87 87.87 Favored Glycine 0 CA--C 1.557 2.703 0 C-N-CA 121.099 -0.572 . . . . 20.0 113.557 173.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -72.4 137.4 46.49 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 117.296 0.548 . . . . 20.0 111.026 -177.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 50.4 m -109.71 147.33 33.34 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 120.893 0.378 . . . . 20.0 111.328 -175.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -129.7 161.16 31.27 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 116.115 -0.493 . . . . 20.0 111.133 -174.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -82.81 -24.6 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 116.32 -0.4 . . . . 20.0 111.869 -170.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -153.47 173.35 15.8 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 121.136 0.493 . . . . 20.0 111.403 -176.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -66.42 -35.64 80.82 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.754 -0.657 . . . . 20.0 111.172 -174.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -62.18 -43.83 97.96 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 116.409 -0.36 . . . . 20.0 110.786 -177.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -67.93 -49.44 61.84 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.535 -0.302 . . . . 20.0 111.176 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -40.62 97.84 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.539 0.209 . . . . 20.0 110.75 -176.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 39.7 t -64.22 -47.77 78.4 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.595 -0.275 . . . . 20.0 110.789 177.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 24.4 t -59.83 -40.74 89.51 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.469 -0.332 . . . . 20.0 111.048 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -64.97 -48.11 75.21 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 116.468 -0.333 . . . . 20.0 111.278 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.52 -36.24 77.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-O 120.611 0.244 . . . . 20.0 110.619 -177.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -67.3 -47.28 71.07 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.56 -0.291 . . . . 20.0 110.981 176.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 39.1 m -72.52 -37.61 68.3 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 111.798 0.295 . . . . 20.0 111.798 -174.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 71.4 t -97.99 -47.17 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 N-CA-C 111.513 0.19 . . . . 20.0 111.513 -170.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -100.14 1.64 42.31 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 116.693 -0.23 . . . . 20.0 111.469 -173.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 90.3 p 54.72 31.73 15.97 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 123.023 0.529 . . . . 20.0 111.794 175.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -130.95 156.43 45.1 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.885 0.374 . . . . 20.0 110.782 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -109.43 111.19 59.77 Favored Pre-proline 0 CA--C 1.551 0.99 0 CA-C-N 116.235 -0.439 . . . . 20.0 110.736 -178.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.68 -11.22 27.7 Favored 'Trans proline' 0 CA--C 1.549 1.237 0 C-N-CA 122.659 2.239 . . . . 20.0 112.654 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 23.2 t -75.39 -14.63 60.47 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-O 120.776 0.322 . . . . 20.0 110.845 172.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -80.22 -141.18 2.59 Favored Glycine 0 CA--C 1.541 1.677 0 CA-C-N 116.328 -0.396 . . . . 20.0 112.318 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -115.87 29.55 7.91 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 120.7 0.286 . . . . 20.0 111.408 -177.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 13.8 p -99.34 -47.77 5.04 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.509 -0.314 . . . . 20.0 111.015 178.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 54.53 90.2 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.517 0.675 . . . . 20.0 111.21 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 1.4 mp -112.35 30.09 7.37 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 115.051 -0.977 . . . . 20.0 110.901 -178.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -145.88 161.23 40.49 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 120.918 0.389 . . . . 20.0 110.858 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -136.27 138.71 42.05 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.947 -0.57 . . . . 20.0 110.499 177.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 tt -94.51 128.19 40.93 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 116.356 -0.384 . . . . 20.0 110.719 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -107.1 151.68 40.81 Favored Pre-proline 0 N--CA 1.487 1.378 0 CA-C-N 116.537 -0.301 . . . . 20.0 110.874 178.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -66.18 152.15 81.87 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 122.701 2.268 . . . . 20.0 112.705 -176.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 589' ' ' CYS . . . . . 0.412 ' HG ' ' CD ' ' A' ' 547' ' ' GLU . 50.6 t -95.46 129.8 42.5 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.119 -0.491 . . . . 20.0 110.673 178.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.52 -12.5 2.69 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 116.206 -0.452 . . . . 20.0 111.913 -174.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 47.0 p -69.63 -26.09 64.25 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 111.478 0.177 . . . . 20.0 111.478 -176.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.0 pp -142.9 164.42 30.13 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 120.885 0.374 . . . . 20.0 110.753 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -83.63 109.89 17.81 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 116.158 -0.474 . . . . 20.0 111.528 -170.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 19.4 pt -145.65 167.3 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 CA-C-N 115.721 -0.672 . . . . 20.0 109.869 170.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -72.52 140.34 48.11 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 110.082 -0.34 . . . . 20.0 110.082 175.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -125.36 115.76 20.83 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.089 0.471 . . . . 20.0 110.727 -177.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -69.89 161.87 29.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.65 -0.705 . . . . 20.0 111.254 -176.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -67.4 -10.1 48.04 Favored 'General case' 0 CA--C 1.561 1.388 0 CA-C-N 116.203 -0.453 . . . . 20.0 111.886 -177.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -86.18 -24.06 26.28 Favored 'General case' 0 CA--C 1.556 1.183 0 O-C-N 122.41 -0.181 . . . . 20.0 110.861 174.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.71 -34.63 39.97 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-O 120.877 0.37 . . . . 20.0 110.143 169.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 6.5 t -69.72 7.1 0.94 Allowed 'General case' 0 CA--C 1.565 1.52 0 CA-C-N 115.858 -0.61 . . . . 20.0 111.824 -178.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -59.48 149.15 30.47 Favored 'General case' 0 CA--C 1.556 1.182 0 CA-C-O 120.902 0.382 . . . . 20.0 110.882 176.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -66.38 117.23 8.33 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.325 -0.398 . . . . 20.0 110.984 -177.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 75.6 m . . . . . 0 N--CA 1.477 0.915 0 CA-C-N 116.131 -0.486 . . . . 20.0 110.731 -179.791 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.689 0 O4'-C4'-C3' 107.699 2.099 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.596 0 P-O3'-C3' 123.473 3.144 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.423 0 O5'-C5'-C4' 114.049 2.749 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.617 0 O5'-C5'-C4' 114.955 3.397 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.366 0 O5'-C5'-C4' 115.176 3.554 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.368 0 P-O3'-C3' 124.217 3.764 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.814 0 O5'-C5'-C4' 115.164 3.546 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.138 0 P-O3'-C3' 123.449 3.124 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.394 0 C3'-C2'-C1' 97.138 -3.973 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.166 0 C5'-C4'-C3' 110.474 -2.817 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.488 0 P-O3'-C3' 123.527 3.189 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.13 0 P-O3'-C3' 122.789 2.574 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.194 0 O4'-C4'-C3' 108.577 2.977 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.461 0 O4'-C4'-C3' 108.684 3.084 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.461 0 O4'-C4'-C3' 108.216 2.616 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.375 0 O4'-C4'-C3' 108.381 2.781 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.008 0 O5'-C5'-C4' 114.673 3.195 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.973 0 P-O3'-C3' 122.66 2.466 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.01 0 O5'-C5'-C4' 114.457 3.041 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.942 0 O4'-C4'-C3' 108.848 3.248 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.475 0 O4'-C4'-C3' 108.057 2.457 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.282 0 P-O3'-C3' 123.23 2.942 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.623 0 P-O3'-C3' 123.328 3.023 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.425 0 O5'-C5'-C4' 114.699 3.213 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.989 0 P-O3'-C3' 123.537 3.197 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.601 1 O5'-C5'-C4' 117.176 4.983 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.496 2 C3'-C2'-C1' 95.307 -5.281 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.538 0 O4'-C4'-C3' 108.816 3.216 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.14 0 O5'-C5'-C4' 114.257 2.898 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.607 0 O4'-C4'-C3' 108.928 3.328 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.454 0 C1'-O4'-C4' 104.702 -3.57 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.151 0 O5'-C5'-C4' 114.619 3.157 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.691 0 O4'-C4'-C3' 109.014 3.414 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.391 0 P-O3'-C3' 123.587 3.239 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.362 0 P-O3'-C3' 123.171 2.892 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.637 0 O4'-C4'-C3' 108.781 3.181 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.696 0 O4'-C4'-C3' 108.556 2.956 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.187 0 P-O3'-C3' 122.962 2.718 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . 0.605 'ZN ' ' SG ' ' A' ' 496' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.813 0 CA-C-O 120.873 0.368 . . . . 20.0 110.655 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -154.96 167.69 29.47 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 116.15 -0.477 . . . . 20.0 110.999 -175.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -131.58 157.11 44.49 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 116.026 -0.534 . . . . 20.0 110.488 177.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -79.13 98.64 6.63 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 120.93 0.395 . . . . 20.0 110.767 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 66.8 mtt -88.19 159.6 18.09 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 115.947 -0.57 . . . . 20.0 111.097 -176.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 477' ' ' LYS . . . . . 0.415 ' HE3' " H1'" ' D' ' 17' ' ' ' DA' . 8.3 mttm -156.53 52.43 0.52 Allowed 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 115.533 -0.758 . . . . 20.0 109.165 175.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 34.7 m -81.38 166.57 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 115.351 -0.84 . . . . 20.0 111.743 -169.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -84.23 130.47 34.82 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.806 -0.634 . . . . 20.0 109.805 169.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -86.04 79.54 9.14 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-O 121.011 0.434 . . . . 20.0 111.453 -169.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -96.88 47.55 1.05 Allowed 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 115.907 -0.588 . . . . 20.0 110.097 171.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 22.4 p30 -120.82 7.57 10.46 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 115.43 -0.805 . . . . 20.0 111.559 -169.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 53.4 p-80 -161.21 176.04 11.69 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.078 0.466 . . . . 20.0 111.659 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -136.65 158.49 44.31 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.368 -0.833 . . . . 20.0 109.564 169.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 54.2 mp0 -101.81 134.1 45.52 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.922 0.391 . . . . 20.0 110.91 -175.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 14.4 tp -134.31 117.83 16.84 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.889 -0.596 . . . . 20.0 110.331 -178.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 32.7 mt -88.12 122.74 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-O 120.87 0.367 . . . . 20.0 110.468 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 40.3 t -136.96 128.94 43.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 115.83 -0.623 . . . . 20.0 110.111 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 53.12 35.95 21.08 Favored 'General case' 0 CA--C 1.565 1.528 0 CA-C-O 120.969 0.414 . . . . 20.0 111.171 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.76 2.11 87.87 Favored Glycine 0 CA--C 1.549 2.163 0 CA-C-N 116.391 -0.368 . . . . 20.0 112.929 177.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -110.3 136.71 49.07 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.485 0.314 . . . . 20.0 110.71 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 97.0 t -80.03 120.88 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-O 120.742 0.306 . . . . 20.0 110.219 174.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -103.74 150.33 24.16 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.281 173.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -114.95 118.69 34.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.172 -0.467 . . . . 20.0 109.991 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.4 mt -112.78 126.63 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-O 120.795 0.331 . . . . 20.0 110.962 -170.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.1 t -64.22 135.13 55.99 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.172 -0.467 . . . . 20.0 110.589 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 29.0 pt -69.86 -37.42 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-N 116.551 -0.295 . . . . 20.0 111.71 -175.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.83 -64.75 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 CA-C-O 120.708 0.289 . . . . 20.0 111.751 -176.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 27.7 p -105.16 -3.1 23.4 Favored 'General case' 0 CA--C 1.559 1.303 0 CA-C-N 116.012 -0.54 . . . . 20.0 112.339 -169.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt 57.84 41.16 25.25 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 122.602 0.361 . . . . 20.0 111.689 -175.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -81.48 131.09 35.27 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 116.215 -0.448 . . . . 20.0 110.194 169.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 28.4 p -93.22 145.23 24.58 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 120.951 0.405 . . . . 20.0 111.238 -177.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -137.86 143.03 40.73 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.793 -0.639 . . . . 20.0 110.956 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 85.5 t -84.71 -15.07 11.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 CA-C-N 115.892 -0.595 . . . . 20.0 110.939 177.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 96.5 m -136.35 134.25 37.67 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.798 0.332 . . . . 20.0 110.915 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.5 -41.27 93.95 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.238 -0.437 . . . . 20.0 111.257 -178.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 15.7 p -58.81 -33.83 70.81 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 120.602 0.239 . . . . 20.0 110.986 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 3.8 t -71.11 -40.63 71.37 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.438 -0.346 . . . . 20.0 110.796 176.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 1.4 tp -63.44 -44.97 92.98 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.259 -0.428 . . . . 20.0 110.929 175.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 47.7 mmm-85 -61.82 -43.93 97.86 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 120.666 0.27 . . . . 20.0 110.54 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -52.38 -43.96 65.02 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.082 -0.508 . . . . 20.0 110.653 172.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -73.2 -42.25 62.89 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 116.194 -0.457 . . . . 20.0 111.428 -177.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -63.11 -26.95 69.06 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 120.506 0.193 . . . . 20.0 111.321 -174.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -16.38 58.58 Favored 'General case' 0 CA--C 1.567 1.633 0 CA-C-N 116.753 -0.203 . . . . 20.0 111.174 176.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 33.7 mt -80.19 -21.03 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 122.426 0.291 . . . . 20.0 110.962 176.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -93.0 -42.21 9.57 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.653 0.263 . . . . 20.0 110.889 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 92.8 p -80.18 -32.97 38.65 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.24 -0.436 . . . . 20.0 111.36 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 69.8 m95 50.74 34.6 10.3 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 121.211 0.529 . . . . 20.0 110.404 -169.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -60.52 -36.43 78.37 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.7 -0.682 . . . . 20.0 111.089 178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -137.21 123.82 21.01 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.176 -0.465 . . . . 20.0 110.387 -177.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -95.66 146.39 24.53 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 116.145 -0.48 . . . . 20.0 110.735 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -120.8 79.87 32.24 Favored Pre-proline 0 CA--C 1.547 0.837 0 CA-C-N 116.074 -0.512 . . . . 20.0 110.293 174.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.79 141.49 21.71 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.766 2.311 . . . . 20.0 112.552 -176.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 49.2 t -72.69 142.29 48.23 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.762 -0.654 . . . . 20.0 110.46 173.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -80.56 -31.97 36.73 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-O 120.561 0.22 . . . . 20.0 111.006 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -84.36 -21.19 30.98 Favored 'General case' 0 CA--C 1.558 1.252 0 CA-C-N 116.371 -0.377 . . . . 20.0 111.837 -172.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.1 p -145.1 170.0 17.05 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.757 0.313 . . . . 20.0 110.772 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.32 7.84 8.73 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 112.026 0.38 . . . . 20.0 112.026 -173.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -71.61 144.28 49.52 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-O 120.715 0.293 . . . . 20.0 111.116 -177.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 17.7 t -125.33 137.96 55.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-N 116.185 -0.462 . . . . 20.0 110.725 176.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -112.51 149.21 40.74 Favored Pre-proline 0 CA--C 1.543 0.685 0 CA-C-N 116.044 -0.525 . . . . 20.0 110.771 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -84.74 -4.62 9.9 Favored 'Trans proline' 0 CA--C 1.557 1.635 0 C-N-CA 122.981 2.454 . . . . 20.0 112.595 174.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.2 mp -127.54 145.01 51.0 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.719 0.408 . . . . 20.0 110.131 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -73.14 -35.56 66.52 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-O 120.478 0.18 . . . . 20.0 111.222 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -60.35 -39.22 86.34 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.844 0.354 . . . . 20.0 110.556 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -69.55 -31.56 69.84 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.278 -0.419 . . . . 20.0 110.728 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.04 -61.3 2.71 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.877 0.37 . . . . 20.0 110.176 170.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 39.9 m -57.74 -51.03 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.889 -0.596 . . . . 20.0 111.079 -172.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -64.45 -35.56 81.31 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 116.657 -0.247 . . . . 20.0 111.03 -174.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -69.72 -41.82 74.83 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-O 120.653 0.264 . . . . 20.0 110.892 176.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -67.3 -32.55 73.61 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 122.419 -0.176 . . . . 20.0 110.91 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 24.9 mt -64.0 -29.39 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-O 120.837 0.351 . . . . 20.0 110.701 171.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -26.72 61.79 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 116.341 -0.39 . . . . 20.0 110.902 176.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -79.3 -42.41 25.83 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-O 120.536 0.208 . . . . 20.0 111.072 175.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 80.8 p -75.65 -20.61 58.36 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 120.521 0.2 . . . . 20.0 111.206 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 77.44 12.19 84.77 Favored Glycine 0 CA--C 1.542 1.734 0 C-N-CA 121.536 -0.364 . . . . 20.0 112.443 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -60.93 119.81 8.97 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 120.949 0.404 . . . . 20.0 111.261 -174.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -74.65 146.73 42.15 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.197 -0.456 . . . . 20.0 110.442 173.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 -125.84 -53.98 1.53 Allowed 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 116.19 -0.459 . . . . 20.0 111.112 -177.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -100.33 117.27 34.18 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.662 -173.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -105.26 132.11 51.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.381 -0.372 . . . . 20.0 110.662 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 552' ' ' CYS . . . . . 0.637 ' SG ' 'ZN ' ' A' ' 703' ' ' ' ZN' . 42.5 t -69.41 144.84 53.25 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.25 -0.432 . . . . 20.0 110.01 172.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 92.3 mt -102.14 -15.99 16.52 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 120.536 0.208 . . . . 20.0 111.334 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.08 -48.88 21.67 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.622 -0.263 . . . . 20.0 111.123 177.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 31.9 p -120.11 -4.03 10.06 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 111.957 0.354 . . . . 20.0 111.957 -175.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 83.42 -0.59 89.58 Favored Glycine 0 CA--C 1.557 2.702 0 C-N-CA 121.085 -0.579 . . . . 20.0 113.598 172.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -70.72 137.18 49.5 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 117.304 0.552 . . . . 20.0 111.089 -176.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 51.1 m -105.16 147.78 27.59 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 116.337 -0.392 . . . . 20.0 111.156 -177.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -132.62 157.49 44.65 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.033 -0.531 . . . . 20.0 110.886 -177.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.8 tt -78.57 -25.05 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 CA-C-N 116.289 -0.414 . . . . 20.0 111.593 -174.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 34.1 p30 -151.64 170.97 18.39 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-O 120.967 0.413 . . . . 20.0 111.041 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -67.82 -36.08 79.75 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.118 -0.492 . . . . 20.0 111.108 -175.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -59.48 -46.92 87.42 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.611 -0.268 . . . . 20.0 111.076 -175.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -64.03 -46.33 84.91 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.645 -0.252 . . . . 20.0 110.869 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -60.02 -46.6 88.96 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.584 -0.28 . . . . 20.0 110.818 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 25.0 t -58.65 -49.14 78.61 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.496 -0.32 . . . . 20.0 110.851 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 22.2 t -59.55 -42.51 92.54 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.403 -0.362 . . . . 20.0 111.018 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -62.84 -50.29 71.52 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.517 -0.31 . . . . 20.0 111.226 -178.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 19.9 mt -66.84 -35.29 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-O 120.486 0.184 . . . . 20.0 110.655 -176.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -67.5 -44.42 78.52 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.729 -0.214 . . . . 20.0 111.004 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 23.6 t -74.77 -39.33 61.85 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.649 -0.251 . . . . 20.0 111.575 -175.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 72.3 t -93.03 -48.26 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 N-CA-C 111.517 0.192 . . . . 20.0 111.517 -170.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -100.02 -2.65 33.92 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 116.651 -0.249 . . . . 20.0 111.489 -172.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 1.7 t 56.85 35.77 26.77 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 120.892 0.377 . . . . 20.0 111.246 177.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -133.17 155.07 49.99 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.245 -0.434 . . . . 20.0 110.744 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -103.83 112.15 65.44 Favored Pre-proline 0 CA--C 1.553 1.069 0 CA-C-N 116.21 -0.45 . . . . 20.0 110.444 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.38 -16.44 39.15 Favored 'Trans proline' 0 CA--C 1.548 1.207 0 C-N-CA 122.338 2.025 . . . . 20.0 112.496 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 47.6 t -73.77 -9.69 58.92 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 116.589 -0.278 . . . . 20.0 111.239 176.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -82.15 -136.01 2.23 Favored Glycine 0 CA--C 1.539 1.537 0 N-CA-C 112.203 -0.359 . . . . 20.0 112.203 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -120.11 29.68 7.38 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 120.762 0.315 . . . . 20.0 111.198 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 35.1 p -88.05 -41.28 13.18 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.565 -0.289 . . . . 20.0 110.894 178.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 52.1 mttp 60.46 66.79 0.9 Allowed 'General case' 0 N--CA 1.492 1.668 0 CA-C-O 121.308 0.575 . . . . 20.0 110.77 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 7.4 mt -100.07 17.29 21.47 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 115.753 -0.658 . . . . 20.0 111.538 -174.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -148.01 166.75 26.8 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 120.937 0.398 . . . . 20.0 111.138 -178.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -142.1 137.74 31.2 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.96 -0.564 . . . . 20.0 110.604 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.89 123.75 38.54 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 116.406 -0.361 . . . . 20.0 110.565 -178.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -100.88 153.99 37.41 Favored Pre-proline 0 N--CA 1.481 1.122 0 CA-C-N 116.551 -0.295 . . . . 20.0 110.897 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -60.94 144.11 99.5 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 122.589 2.193 . . . . 20.0 112.584 -177.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -91.09 124.54 35.39 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.151 -0.477 . . . . 20.0 110.157 173.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -129.5 -8.97 4.62 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 111.862 0.319 . . . . 20.0 111.862 -173.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 90.9 p -66.4 -23.62 66.34 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 120.531 0.205 . . . . 20.0 111.25 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -141.64 167.08 23.0 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.441 -0.345 . . . . 20.0 110.405 173.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -93.43 89.85 6.49 Favored 'General case' 0 CA--C 1.558 1.253 0 CA-C-O 120.955 0.407 . . . . 20.0 111.974 -169.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 33.8 pt -105.17 171.89 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 CA-C-N 115.962 -0.563 . . . . 20.0 110.442 169.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -74.03 139.08 44.48 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.933 -0.395 . . . . 20.0 109.933 169.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -109.19 97.77 7.32 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.952 0.406 . . . . 20.0 110.888 -170.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -59.36 143.43 49.56 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.619 178.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -68.3 -9.96 51.33 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 116.341 -0.39 . . . . 20.0 111.629 -175.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -74.53 -17.2 60.78 Favored 'General case' 0 CA--C 1.56 1.356 0 O-C-N 122.396 -0.19 . . . . 20.0 111.073 174.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.13 -32.86 16.48 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 120.858 0.361 . . . . 20.0 110.224 169.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 62.4 m -76.37 -13.1 60.15 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 116.014 -0.539 . . . . 20.0 111.819 -173.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -152.96 164.41 38.01 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 120.742 0.306 . . . . 20.0 110.822 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -139.05 137.31 36.15 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.724 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 27.2 t . . . . . 0 N--CA 1.485 1.298 0 CA-C-N 116.203 -0.453 . . . . 20.0 111.263 -179.776 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.221 0 O4'-C4'-C3' 108.408 2.808 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.529 0 O4'-C4'-C3' 108.532 2.932 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.5 0 O5'-C5'-C4' 113.969 2.692 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.544 0 O5'-C5'-C4' 115.029 3.45 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 0 P-O3'-C3' 123.477 3.147 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.302 0 O5'-C5'-C4' 114.997 3.427 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.746 0 O5'-C5'-C4' 114.857 3.326 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.033 0 P-O3'-C3' 122.684 2.486 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.94 2 C1'-O4'-C4' 103.233 -4.619 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 0 C5'-C4'-C3' 109.512 -3.459 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.77 0 P-O3'-C3' 123.33 3.025 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.079 0 P-O3'-C3' 123.145 2.871 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.943 0 O4'-C4'-C3' 108.838 3.238 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.015 0 O4'-C4'-C3' 108.663 3.063 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.078 0 O4'-C4'-C3' 108.47 2.87 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.976 0 P-O3'-C3' 124.091 3.659 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . 0.415 " H1'" ' HE3' ' A' ' 477' ' ' LYS . . . . . . . . 0 C5'--C4' 1.54 3.581 0 O5'-C5'-C4' 115.776 3.983 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.187 0 O4'-C4'-C3' 108.393 2.793 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.366 0 P-O3'-C3' 122.912 2.676 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.702 0 C1'-O4'-C4' 106.152 -2.534 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.706 0 O5'-C5'-C4' 114.338 2.956 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.361 0 O4'-C4'-C3' 108.716 3.116 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.511 0 O4'-C4'-C3' 108.614 3.014 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.638 0 C5'-C4'-O4' 114.15 2.969 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.767 0 O5'-C5'-C4' 115.37 3.693 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.287 0 O4'-C4'-C3' 107.831 2.231 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 27' ' ' ' DG' . . . . . 0.473 " H1'" ' C8 ' ' E' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.868 1 C1'-O4'-C4' 103.814 -4.204 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 28' ' ' ' DG' . . . . . 0.473 ' C8 ' " H1'" ' E' ' 27' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.313 2 P-O5'-C5' 128.942 5.026 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.874 0 O4'-C4'-C3' 107.748 2.148 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.628 0 O5'-C5'-C4' 113.751 2.536 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.916 0 O5'-C5'-C4' 115.351 3.679 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.49 1 P-O3'-C3' 125.953 5.211 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.126 0 P-O3'-C3' 124.361 3.884 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.457 0 P-O3'-C3' 123.246 2.955 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.54 0 P-O3'-C3' 123.167 2.889 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.589 0 O4'-C4'-C3' 108.634 3.034 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.521 0 O4'-C4'-C3' 108.531 2.931 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.283 0 P-O3'-C3' 122.879 2.649 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 703' ' ' ' ZN' . . . . . 0.637 'ZN ' ' SG ' ' A' ' 552' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.789 0 CA-C-O 120.912 0.387 . . . . 20.0 110.804 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -73.63 144.6 45.84 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 116.273 -0.421 . . . . 20.0 110.785 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -82.03 79.95 8.41 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 120.922 0.392 . . . . 20.0 110.485 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -134.43 124.83 26.3 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 115.952 -0.567 . . . . 20.0 110.655 -177.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 42.7 mtm -156.33 79.97 0.97 Allowed 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 116.149 -0.478 . . . . 20.0 110.387 174.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -88.71 56.79 3.89 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.088 0.47 . . . . 20.0 110.146 175.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 35.6 m -141.69 153.95 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 CA-C-N 115.812 -0.631 . . . . 20.0 111.314 -172.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -86.79 164.54 16.62 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 115.941 -0.572 . . . . 20.0 110.234 171.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -133.23 145.29 50.4 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 116.396 -0.365 . . . . 20.0 111.176 -176.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -99.6 22.78 10.37 Favored 'General case' 0 CA--C 1.557 1.224 0 CA-C-N 116.088 -0.505 . . . . 20.0 110.745 174.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 50.7 p-10 -79.4 8.86 5.44 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.045 -0.525 . . . . 20.0 111.275 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -159.42 175.99 12.65 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.06 0.457 . . . . 20.0 111.45 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -134.76 155.19 51.02 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.366 -0.834 . . . . 20.0 109.491 169.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -98.5 134.08 41.97 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.879 0.371 . . . . 20.0 110.836 -175.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 14.3 tp -133.33 115.76 15.29 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.988 -0.551 . . . . 20.0 110.34 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 34.6 mt -87.48 122.29 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-O 120.95 0.405 . . . . 20.0 110.434 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 44.0 t -136.49 128.26 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-N 115.829 -0.623 . . . . 20.0 110.204 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.1 t0 53.04 36.38 21.99 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 120.901 0.382 . . . . 20.0 111.213 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 80.19 0.34 85.9 Favored Glycine 0 CA--C 1.55 2.272 0 C-N-CA 121.547 -0.359 . . . . 20.0 112.95 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -107.79 136.33 47.7 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.491 0.316 . . . . 20.0 110.646 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 95.3 t -80.0 122.54 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-O 120.701 0.286 . . . . 20.0 110.231 173.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -106.38 152.12 24.0 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.239 -0.437 . . . . 20.0 110.193 172.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -117.08 119.17 34.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 20.0 110.018 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.1 mt -112.13 124.68 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 116.477 -0.328 . . . . 20.0 110.808 -171.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.6 t -63.56 137.2 58.03 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.283 -0.417 . . . . 20.0 110.564 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 29.4 pt -69.51 -38.86 77.71 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 CA-C-N 116.644 -0.253 . . . . 20.0 111.642 -176.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.01 -65.48 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 111.857 0.318 . . . . 20.0 111.857 -177.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 26.7 p -105.09 -4.59 21.73 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 116.05 -0.523 . . . . 20.0 112.374 -169.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt 59.28 38.07 23.36 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.56 0.344 . . . . 20.0 111.902 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -79.71 129.09 34.17 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 109.889 -0.412 . . . . 20.0 109.889 169.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 21.7 p -91.28 140.45 29.78 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 116.36 -0.382 . . . . 20.0 111.122 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -132.93 141.53 48.4 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.998 -0.546 . . . . 20.0 110.9 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 72.0 t -79.34 -19.28 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 116.166 -0.47 . . . . 20.0 110.898 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 85.1 m -132.67 136.42 46.44 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.729 0.299 . . . . 20.0 111.155 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.13 -34.92 74.19 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.348 -0.387 . . . . 20.0 110.835 176.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 36.0 p -55.22 -38.66 68.73 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 116.755 -0.202 . . . . 20.0 111.011 178.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 14.7 m -67.83 -41.2 83.36 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.496 -0.32 . . . . 20.0 110.898 177.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.63 -49.19 77.57 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.441 -0.345 . . . . 20.0 110.986 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -46.69 88.77 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.594 0.235 . . . . 20.0 110.584 -178.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -54.36 -46.22 72.92 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 116.187 -0.461 . . . . 20.0 110.777 173.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -70.72 -42.19 70.9 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 116.233 -0.44 . . . . 20.0 111.415 -173.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -59.7 -23.66 63.32 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 116.732 -0.213 . . . . 20.0 111.492 -172.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -58.79 -31.36 68.34 Favored 'General case' 0 CA--C 1.56 1.348 0 CA-C-O 120.583 0.23 . . . . 20.0 111.013 175.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 26.4 mt -65.22 -18.92 24.7 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.376 0 CA-C-O 120.597 0.236 . . . . 20.0 111.055 178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -101.11 -45.84 5.26 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 120.611 0.243 . . . . 20.0 111.163 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 92.5 p -78.98 -35.03 43.64 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.487 -0.324 . . . . 20.0 111.538 -173.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 69.4 m95 52.11 36.52 19.2 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-O 121.109 0.48 . . . . 20.0 110.997 -173.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -66.15 -34.66 78.54 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.899 -0.591 . . . . 20.0 111.413 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -131.58 135.01 46.64 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.326 -0.397 . . . . 20.0 110.398 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -95.09 143.04 26.86 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 116.333 -0.394 . . . . 20.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -124.67 79.89 62.41 Favored Pre-proline 0 CA--C 1.554 1.105 0 CA-C-N 116.073 -0.512 . . . . 20.0 110.32 173.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 523' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 530' ' ' VAL . 80.3 Cg_endo -78.27 159.62 29.62 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.884 2.389 . . . . 20.0 112.769 -176.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 49.9 t -88.51 143.75 26.77 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.835 -0.62 . . . . 20.0 110.598 174.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -73.28 -40.07 64.86 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-O 120.677 0.275 . . . . 20.0 111.337 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -88.36 -13.64 40.14 Favored 'General case' 0 CA--C 1.557 1.246 0 N-CA-C 112.336 0.495 . . . . 20.0 112.336 -169.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.2 p -145.02 173.66 11.7 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 120.902 0.382 . . . . 20.0 111.031 176.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -87.89 7.16 32.11 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 112.16 0.43 . . . . 20.0 112.16 -170.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -69.34 146.62 52.02 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 120.853 0.359 . . . . 20.0 111.254 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . 0.408 ' HA ' ' HA ' ' A' ' 523' ' ' PRO . 12.2 t -122.98 128.46 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 115.755 -0.657 . . . . 20.0 110.169 169.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -105.73 150.54 39.25 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-N 116.121 -0.49 . . . . 20.0 110.517 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.98 -2.04 11.56 Favored 'Trans proline' 0 CA--C 1.556 1.593 0 C-N-CA 122.8 2.333 . . . . 20.0 112.636 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.4 mp -135.24 142.46 45.98 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.442 -0.345 . . . . 20.0 110.227 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -69.63 -44.2 71.13 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.666 0.269 . . . . 20.0 110.931 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -58.59 -33.24 69.76 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 116.583 -0.28 . . . . 20.0 111.064 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -66.83 -45.11 79.26 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.585 -0.28 . . . . 20.0 111.248 -178.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.62 -26.29 61.62 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 120.988 -0.285 . . . . 20.0 110.799 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 4.2 m -65.37 -58.35 6.11 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.595 0.236 . . . . 20.0 110.557 175.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -63.3 -29.64 70.92 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 116.715 -0.221 . . . . 20.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -69.33 -42.61 75.12 Favored 'General case' 0 CA--C 1.555 1.162 0 CA-C-O 120.62 0.248 . . . . 20.0 110.919 174.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -67.63 -31.51 71.57 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.869 -0.15 . . . . 20.0 111.037 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 28.1 mt -61.72 -29.49 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 CA-C-O 120.725 0.298 . . . . 20.0 110.405 171.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -75.43 -25.11 57.24 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 116.336 -0.393 . . . . 20.0 111.144 175.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -79.48 -42.14 25.92 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 116.779 -0.191 . . . . 20.0 110.962 175.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 82.6 p -73.35 -32.72 64.69 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 120.668 0.271 . . . . 20.0 110.989 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 86.8 11.34 70.87 Favored Glycine 0 CA--C 1.54 1.612 0 CA-C-N 116.424 -0.353 . . . . 20.0 112.386 -178.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -58.08 107.25 0.45 Allowed 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 120.816 0.341 . . . . 20.0 111.25 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -81.98 128.39 34.03 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 116.369 -0.378 . . . . 20.0 110.094 173.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -130.22 -32.97 1.75 Allowed 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 116.137 -0.483 . . . . 20.0 111.899 -169.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -91.72 98.55 11.69 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.765 0.317 . . . . 20.0 110.393 -177.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -97.18 128.32 43.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.385 -0.371 . . . . 20.0 110.867 -176.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 48.0 t -68.05 144.86 54.92 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.161 -0.472 . . . . 20.0 110.073 171.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 86.0 mt -101.37 -16.43 16.89 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 116.7 -0.227 . . . . 20.0 111.252 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.09 -47.91 26.43 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 116.681 -0.236 . . . . 20.0 111.132 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.8 p -119.99 -3.15 10.17 Favored 'General case' 0 CA--C 1.563 1.453 0 N-CA-C 112.07 0.396 . . . . 20.0 112.07 -175.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 80.19 0.09 85.24 Favored Glycine 0 CA--C 1.557 2.676 0 C-N-CA 121.088 -0.577 . . . . 20.0 113.568 173.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -72.62 140.08 47.77 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 117.347 0.574 . . . . 20.0 110.967 -177.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 15.3 m -103.77 147.13 27.63 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 116.39 -0.368 . . . . 20.0 111.215 -176.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -132.12 159.73 38.05 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.928 -0.578 . . . . 20.0 110.737 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 15.5 tt -84.44 -24.14 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 CA-C-N 116.242 -0.435 . . . . 20.0 111.883 -170.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.9 p30 -151.33 172.63 15.59 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-O 120.944 0.402 . . . . 20.0 110.902 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -64.35 -41.66 96.63 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.069 -0.514 . . . . 20.0 111.139 -176.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.7 mp0 -59.14 -45.42 91.0 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 116.602 -0.272 . . . . 20.0 111.138 -173.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -65.13 -44.26 89.25 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.663 -0.244 . . . . 20.0 110.835 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -59.69 -46.9 87.67 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 120.682 0.277 . . . . 20.0 110.87 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 29.2 t -60.6 -47.16 87.46 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.47 -0.332 . . . . 20.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 24.6 t -58.44 -42.34 87.12 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.462 -0.335 . . . . 20.0 110.904 177.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -63.53 -50.78 68.19 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.363 -0.38 . . . . 20.0 111.128 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 20.6 mt -65.75 -35.9 76.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-O 120.587 0.232 . . . . 20.0 110.75 -176.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -68.24 -45.39 73.36 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 116.656 -0.247 . . . . 20.0 111.176 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 35.4 p -78.18 -33.62 50.05 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 111.791 0.293 . . . . 20.0 111.791 -174.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 69.9 t -95.13 -49.15 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 CA-C-O 120.497 0.189 . . . . 20.0 111.44 -173.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -100.03 -1.72 36.27 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 116.709 -0.223 . . . . 20.0 111.558 -173.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 8.6 t 56.49 35.62 26.28 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 120.845 0.355 . . . . 20.0 111.475 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -134.79 156.91 48.05 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.319 -0.401 . . . . 20.0 110.925 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -98.94 131.74 24.95 Favored Pre-proline 0 CA--C 1.551 0.981 0 CA-C-N 116.169 -0.469 . . . . 20.0 110.447 175.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -73.81 -25.43 14.49 Favored 'Trans proline' 0 CA--C 1.55 1.298 0 C-N-CA 122.567 2.178 . . . . 20.0 112.717 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 31.7 t -86.5 -10.51 53.96 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 120.738 0.304 . . . . 20.0 111.433 -178.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -82.49 -157.82 22.59 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 121.371 -0.442 . . . . 20.0 112.268 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -83.39 89.99 7.11 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 120.823 0.344 . . . . 20.0 110.153 172.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 93.1 p -160.05 -59.96 0.06 Allowed 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 116.172 -0.467 . . . . 20.0 111.05 -174.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 58.06 66.58 1.08 Allowed 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.214 0.53 . . . . 20.0 110.627 -175.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 5.9 mt -102.76 17.6 23.46 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 115.686 -0.688 . . . . 20.0 111.641 -172.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -145.99 158.72 43.86 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 121.049 0.452 . . . . 20.0 111.469 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -138.32 138.39 38.3 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 115.671 -0.695 . . . . 20.0 110.326 177.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.5 tt -100.37 124.35 45.76 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 116.496 -0.32 . . . . 20.0 110.655 -177.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -98.24 151.18 37.39 Favored Pre-proline 0 CA--C 1.555 1.14 0 CA-C-N 116.358 -0.383 . . . . 20.0 110.698 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -63.92 157.73 51.05 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 122.464 2.109 . . . . 20.0 112.594 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 42.0 t -101.44 136.31 41.49 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.502 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.11 -11.52 1.47 Allowed 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 116.4 -0.364 . . . . 20.0 111.599 -177.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 18.8 p -68.44 -25.56 65.07 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 111.676 0.25 . . . . 20.0 111.676 -177.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.4 pp -137.71 168.87 18.81 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-O 120.803 0.335 . . . . 20.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -89.18 105.47 17.81 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 116.169 -0.468 . . . . 20.0 111.463 -170.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 26.0 pt -146.05 170.68 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 CA-C-N 115.763 -0.653 . . . . 20.0 109.954 170.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -70.87 174.67 5.82 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.681 -0.488 . . . . 20.0 109.681 169.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -150.04 151.81 33.84 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 120.841 0.353 . . . . 20.0 110.645 176.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -96.5 145.83 25.34 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.962 -0.563 . . . . 20.0 110.645 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.59 -9.94 40.47 Favored 'General case' 0 CA--C 1.556 1.184 0 CA-C-N 116.492 -0.322 . . . . 20.0 111.729 -177.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -77.74 -12.54 59.98 Favored 'General case' 0 CA--C 1.56 1.333 0 O-C-N 122.441 -0.162 . . . . 20.0 111.274 175.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -90.08 -31.16 17.26 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 120.704 0.288 . . . . 20.0 110.589 169.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 1.4 t -88.47 -10.51 48.84 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 116.111 -0.495 . . . . 20.0 111.881 -171.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -153.33 168.38 26.22 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-O 120.834 0.349 . . . . 20.0 111.075 -176.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -58.14 151.89 18.07 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 116.166 -0.47 . . . . 20.0 111.141 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 32.5 t . . . . . 0 N--CA 1.484 1.271 0 CA-C-N 116.039 -0.528 . . . . 20.0 111.165 178.454 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.107 0 O5'-C5'-C4' 114.42 3.014 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.191 1 O5'-C5'-C4' 116.086 4.204 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.62 0 O5'-C5'-C4' 114.312 2.937 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.702 0 O5'-C5'-C4' 115.044 3.46 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.559 0 O5'-C5'-C4' 115.007 3.433 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.085 0 P-O3'-C3' 124.163 3.719 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.228 0 O5'-C5'-C4' 115.19 3.564 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.053 0 P-O3'-C3' 122.941 2.7 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.615 2 C3'-C2'-C1' 96.561 -4.385 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.031 0 C5'-C4'-C3' 109.752 -3.299 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.311 0 P-O3'-C3' 123.267 2.973 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.246 0 C3'-C2'-C1' 106.683 2.845 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.403 0 P-O3'-C3' 123.72 3.35 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.564 0 O5'-C5'-C4' 115.643 3.888 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.643 0 O5'-C5'-C4' 114.271 2.908 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.234 0 O4'-C4'-C3' 108.36 2.76 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.212 0 O4'-C4'-C3' 108.884 3.284 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.134 0 O4'-C4'-C3' 108.617 3.017 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.479 0 C1'-O4'-C4' 106.162 -2.527 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.479 0 C1'-O4'-C4' 106.037 -2.616 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.878 0 O5'-C5'-C4' 113.997 2.712 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.366 0 P-O3'-C3' 123.008 2.757 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.657 0 P-O3'-C3' 123.385 3.071 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.053 0 O4'-C4'-C3' 108.338 2.738 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.651 1 P-O3'-C3' 124.999 4.416 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 0 P-O3'-C3' 123.187 2.906 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.014 2 C3'-C2'-C1' 95.305 -5.282 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.407 -1.874 0 C4'-C3'-O3' 103.859 -2.928 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.573 -2.814 0 C1'-O4'-C4' 105.523 -2.984 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.078 0 O4'-C4'-C3' 108.091 2.491 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.363 0 C1'-O4'-C4' 104.7 -3.572 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.441 1 P-O3'-C3' 125.127 4.523 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.907 0 P-O3'-C3' 124.169 3.724 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.483 0 P-O3'-C3' 123.265 2.971 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.565 0 O4'-C4'-C3' 108.574 2.974 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.451 0 O4'-C4'-C3' 108.596 2.996 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.548 0 O4'-C4'-C3' 108.531 2.931 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.183 0 P-O3'-C3' 122.881 2.651 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.883 0 CA-C-O 120.939 0.399 . . . . 20.0 110.991 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -72.96 151.1 41.98 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 116.215 -0.448 . . . . 20.0 110.763 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -70.02 148.82 48.37 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.157 -0.474 . . . . 20.0 110.791 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.66 131.47 41.38 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.804 -178.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 28.9 ttm -161.5 157.99 25.82 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 116.122 -0.49 . . . . 20.0 110.568 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -135.66 57.1 1.8 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.094 0.473 . . . . 20.0 110.773 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 21.7 m -106.78 162.44 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-N 115.923 -0.581 . . . . 20.0 110.73 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -86.94 162.54 17.63 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 116.44 -0.345 . . . . 20.0 110.726 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -123.43 149.57 44.88 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 116.112 -0.495 . . . . 20.0 111.106 -172.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -83.16 60.11 5.34 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 116.166 -0.47 . . . . 20.0 111.137 -174.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 13.8 p30 -117.03 12.46 14.58 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 115.971 -0.558 . . . . 20.0 111.595 -175.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -161.83 176.56 10.74 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.91 0.386 . . . . 20.0 111.412 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -139.28 160.92 38.69 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.781 -0.645 . . . . 20.0 110.3 171.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -100.19 136.38 40.18 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 120.876 0.369 . . . . 20.0 110.826 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.2 tp -134.73 117.39 15.95 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.067 -0.515 . . . . 20.0 110.29 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 29.4 mt -88.05 123.04 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 120.905 0.384 . . . . 20.0 110.57 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 39.3 t -138.38 129.58 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 115.857 -0.611 . . . . 20.0 110.165 -178.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.75 36.38 21.03 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-O 120.945 0.402 . . . . 20.0 111.217 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 78.81 5.01 88.6 Favored Glycine 0 CA--C 1.55 2.258 0 C-N-CA 121.505 -0.378 . . . . 20.0 112.958 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 23.8 mtt180 -113.51 136.85 52.35 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.516 0.326 . . . . 20.0 110.709 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 98.6 t -80.75 119.61 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 110.256 -0.276 . . . . 20.0 110.256 174.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -101.04 149.82 23.54 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.249 -0.432 . . . . 20.0 110.3 173.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -113.99 117.09 30.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 20.0 110.004 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.1 mt -114.0 129.46 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-O 120.946 0.403 . . . . 20.0 111.026 -169.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.9 t -66.72 137.97 57.06 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.092 -0.504 . . . . 20.0 110.65 176.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 37.8 pt -70.0 -39.62 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 111.733 0.271 . . . . 20.0 111.733 -176.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.98 -63.84 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 N-CA-C 111.916 0.339 . . . . 20.0 111.916 -176.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 27.1 p -105.09 -5.0 21.22 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.495 0.554 . . . . 20.0 112.495 -169.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 58.2 38.09 26.24 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 122.531 0.332 . . . . 20.0 111.759 -177.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -78.7 132.76 37.12 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 109.975 -0.38 . . . . 20.0 109.975 169.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 32.0 p -96.07 134.3 39.28 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 120.805 0.336 . . . . 20.0 111.194 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -126.22 142.1 51.66 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.777 -0.647 . . . . 20.0 110.977 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 75.5 t -84.7 -16.18 10.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.798 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 96.6 m -132.19 132.25 42.97 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.522 -0.308 . . . . 20.0 110.855 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 20.7 mt -60.5 -37.51 81.33 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 116.398 -0.365 . . . . 20.0 111.114 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 23.6 p -53.91 -44.07 70.24 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 120.642 0.258 . . . . 20.0 111.081 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 29.4 m -69.74 -33.43 72.45 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.608 -0.269 . . . . 20.0 111.081 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 4.0 tp -64.38 -46.75 81.97 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 116.703 -0.226 . . . . 20.0 111.019 176.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -58.14 -48.64 79.63 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 120.884 0.374 . . . . 20.0 110.146 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -55.91 -43.1 77.0 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 115.751 -0.659 . . . . 20.0 111.061 176.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -67.27 -45.29 77.06 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 116.439 -0.346 . . . . 20.0 111.288 -177.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -59.51 -23.02 62.46 Favored 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 111.598 0.222 . . . . 20.0 111.598 -174.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.05 -26.77 60.9 Favored 'General case' 0 CA--C 1.567 1.62 0 C-N-CA 122.336 0.254 . . . . 20.0 111.34 175.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 42.6 mt -74.18 -20.85 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 122.369 0.268 . . . . 20.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -94.24 -42.62 8.85 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.638 0.256 . . . . 20.0 110.994 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 87.2 p -72.82 -36.16 67.47 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.497 -0.319 . . . . 20.0 111.28 -177.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 64.3 m95 50.57 32.2 6.49 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-O 121.195 0.522 . . . . 20.0 110.512 -169.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -70.7 -30.82 67.48 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.964 -0.562 . . . . 20.0 110.65 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -138.43 108.66 6.44 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 116.144 -0.48 . . . . 20.0 110.562 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . 0.437 ' HB2' ' CG1' ' A' ' 530' ' ' VAL . 13.4 ptpt -94.64 163.53 13.34 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.809 0.338 . . . . 20.0 110.702 174.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -127.88 81.85 69.52 Favored Pre-proline 0 CA--C 1.55 0.98 0 CA-C-N 116.021 -0.536 . . . . 20.0 110.71 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -67.3 130.97 23.72 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.666 2.244 . . . . 20.0 112.248 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 51.1 t -65.07 144.27 57.37 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 116.265 -0.425 . . . . 20.0 110.805 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -75.59 -40.04 57.11 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 120.772 0.32 . . . . 20.0 110.846 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -84.65 -21.11 30.37 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 115.926 -0.579 . . . . 20.0 112.077 -169.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.7 p -141.8 169.2 18.05 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 120.814 0.34 . . . . 20.0 110.787 174.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -86.26 9.44 17.72 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 112.603 0.594 . . . . 20.0 112.603 -169.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -81.34 159.19 24.47 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 120.94 0.4 . . . . 20.0 111.259 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . 0.437 ' CG1' ' HB2' ' A' ' 521' ' ' LYS . 39.9 t -123.54 140.26 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 115.933 -0.576 . . . . 20.0 111.034 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -110.84 145.77 33.05 Favored Pre-proline 0 CA--C 1.545 0.786 0 CA-C-N 115.967 -0.56 . . . . 20.0 110.63 173.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -85.53 -7.45 8.72 Favored 'Trans proline' 0 CA--C 1.55 1.312 0 C-N-CA 122.826 2.351 . . . . 20.0 112.783 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 5.5 mp -130.25 146.03 51.82 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.355 -0.384 . . . . 20.0 110.109 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -65.32 -42.34 93.06 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.638 -0.255 . . . . 20.0 111.362 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -68.7 -34.75 76.18 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 122.398 -0.188 . . . . 20.0 110.955 -177.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -64.35 -34.84 79.08 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 110.395 -0.224 . . . . 20.0 110.395 174.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -61.85 2.26 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 116.39 -0.368 . . . . 20.0 110.449 171.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 25.5 m -49.32 -54.28 17.87 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 115.921 -0.581 . . . . 20.0 111.184 -177.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -65.26 -31.04 71.98 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 116.38 -0.373 . . . . 20.0 110.98 -170.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -71.48 -42.21 68.36 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 116.663 -0.244 . . . . 20.0 111.036 172.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -68.91 -26.6 65.17 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 122.332 -0.23 . . . . 20.0 111.074 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 34.7 mt -66.72 -30.73 50.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-O 120.65 0.262 . . . . 20.0 110.428 169.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -73.45 -25.27 60.42 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 116.416 -0.356 . . . . 20.0 111.061 175.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -80.56 -44.57 18.8 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-O 120.621 0.248 . . . . 20.0 110.983 175.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 19.4 p -81.3 -23.95 37.53 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 116.463 -0.335 . . . . 20.0 111.497 -174.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 83.92 8.39 84.24 Favored Glycine 0 CA--C 1.544 1.869 0 C-N-CA 121.545 -0.36 . . . . 20.0 112.823 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -53.72 115.35 1.94 Allowed 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 120.906 0.384 . . . . 20.0 111.062 -177.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 56.5 mmt-85 -82.95 88.44 6.83 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.339 -0.391 . . . . 20.0 110.668 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 52.9 mmm-85 -72.34 -43.77 63.59 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 116.238 -0.437 . . . . 20.0 111.254 -177.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -106.4 115.86 30.94 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.403 -0.362 . . . . 20.0 110.889 -171.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -108.57 135.18 50.26 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.48 -0.327 . . . . 20.0 110.707 178.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 34.2 t -71.75 152.61 42.6 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.432 -0.349 . . . . 20.0 110.264 174.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 93.8 mt -113.93 -18.28 11.8 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.632 -0.258 . . . . 20.0 111.361 -178.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.11 -46.47 34.32 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 120.499 0.19 . . . . 20.0 110.943 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.0 p -119.96 -2.1 10.33 Favored 'General case' 0 CA--C 1.562 1.407 0 N-CA-C 111.774 0.287 . . . . 20.0 111.774 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 82.47 -7.07 65.96 Favored Glycine 0 CA--C 1.554 2.493 0 C-N-CA 121.25 -0.5 . . . . 20.0 113.433 172.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -65.01 137.89 58.01 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 117.135 0.467 . . . . 20.0 111.163 -175.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 20.1 m -98.87 137.24 37.72 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.186 -0.461 . . . . 20.0 111.174 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -122.7 158.88 29.11 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 116.074 -0.512 . . . . 20.0 110.928 -178.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 15.8 tt -89.26 -25.61 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.228 0 CA-C-N 116.13 -0.487 . . . . 20.0 111.839 -170.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 41.9 p30 -151.26 170.63 19.02 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 120.917 0.389 . . . . 20.0 111.243 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -66.72 -35.3 79.79 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 116.137 -0.483 . . . . 20.0 111.297 -175.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -61.95 -46.95 87.05 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 120.699 0.285 . . . . 20.0 110.978 -175.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -68.56 -43.36 76.78 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.491 -0.322 . . . . 20.0 110.823 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 16.6 ttp -58.14 -49.22 77.74 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 120.675 0.274 . . . . 20.0 111.077 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 47.6 t -60.85 -46.66 89.71 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.614 -0.266 . . . . 20.0 110.819 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 22.9 t -58.73 -42.03 87.83 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.425 -0.352 . . . . 20.0 110.896 177.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -63.77 -48.85 75.27 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.426 -0.352 . . . . 20.0 111.089 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.98 -44.06 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-O 120.561 0.22 . . . . 20.0 110.658 -178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.36 -38.76 85.3 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.517 -0.311 . . . . 20.0 111.185 -178.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 22.8 t -79.73 -38.99 32.11 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 111.632 0.234 . . . . 20.0 111.632 -176.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 75.2 t -94.45 -46.43 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 CA-C-N 116.748 -0.206 . . . . 20.0 111.489 -170.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -100.03 -6.82 25.84 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.638 -0.255 . . . . 20.0 111.361 -174.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 2.3 t 56.16 38.39 29.8 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 120.966 0.412 . . . . 20.0 111.194 176.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -129.42 161.72 29.71 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.106 0.479 . . . . 20.0 111.024 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -102.41 119.25 56.77 Favored Pre-proline 0 CA--C 1.554 1.127 0 CA-C-N 115.84 -0.618 . . . . 20.0 110.582 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -56.74 -23.25 48.82 Favored 'Trans proline' 0 CA--C 1.555 1.528 0 C-N-CA 122.77 2.313 . . . . 20.0 112.88 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 42.2 t -85.01 5.25 30.17 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 122.503 0.321 . . . . 20.0 111.464 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -82.06 -149.58 7.66 Favored Glycine 0 CA--C 1.543 1.833 0 C-N-CA 121.671 -0.299 . . . . 20.0 112.45 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -117.58 29.47 7.84 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 120.905 0.383 . . . . 20.0 111.237 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 581' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 582' ' ' LYS . 9.2 p -122.26 0.88 9.61 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 116.235 -0.439 . . . . 20.0 111.062 -177.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 582' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 581' ' ' SER . 30.0 mmmt 8.65 90.05 0.01 OUTLIER 'General case' 0 N--CA 1.525 3.298 0 C-N-CA 123.797 0.839 . . . . 20.0 112.555 -174.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 1.6 mp -89.44 22.07 3.1 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 115.903 -0.59 . . . . 20.0 111.556 -173.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -146.53 156.46 43.27 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 121.02 0.438 . . . . 20.0 111.43 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -126.44 134.92 50.85 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.619 -0.719 . . . . 20.0 110.099 175.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 tt -96.21 122.68 39.32 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 116.389 -0.368 . . . . 20.0 110.407 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -96.29 155.74 37.72 Favored Pre-proline 0 CA--C 1.553 1.076 0 CA-C-N 116.28 -0.418 . . . . 20.0 110.674 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -66.11 152.61 80.8 Favored 'Trans proline' 0 CA--C 1.547 1.137 0 C-N-CA 122.47 2.113 . . . . 20.0 112.129 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 12.3 t -88.98 122.89 32.78 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.627 -0.26 . . . . 20.0 110.834 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -117.26 -29.72 5.8 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 116.296 -0.411 . . . . 20.0 111.585 -172.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 50.1 m -71.2 -27.01 63.19 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 112.289 0.477 . . . . 20.0 112.289 -169.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.3 pp -140.81 168.08 20.66 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 120.878 0.37 . . . . 20.0 111.265 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -91.38 111.73 23.35 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 116.02 -0.536 . . . . 20.0 111.56 -170.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 25.9 pt -143.98 169.88 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 CA-C-N 115.658 -0.701 . . . . 20.0 109.893 169.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 5.2 ptt-85 -69.38 171.87 7.99 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.75 -0.463 . . . . 20.0 109.75 170.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -148.29 152.47 37.18 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 120.981 0.419 . . . . 20.0 110.965 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 597' ' ' TYR . . . . . 0.469 ' H ' HD23 ' A' ' 600' ' ' LEU . 89.2 m-85 -103.67 152.13 22.15 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.707 -0.679 . . . . 20.0 110.647 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.19 -9.98 37.1 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 116.527 -0.306 . . . . 20.0 111.788 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -78.21 -17.26 56.99 Favored 'General case' 0 CA--C 1.56 1.36 0 O-C-N 122.37 -0.206 . . . . 20.0 111.045 174.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 600' ' ' LEU . . . . . 0.469 HD23 ' H ' ' A' ' 597' ' ' TYR . 0.6 OUTLIER -83.32 -27.13 29.98 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 109.922 -0.399 . . . . 20.0 109.922 169.272 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 67.9 m -71.21 -2.85 17.34 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-N 115.921 -0.581 . . . . 20.0 111.455 -178.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -144.17 167.7 21.79 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 122.591 0.356 . . . . 20.0 110.369 176.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -62.56 116.97 5.6 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 120.738 0.304 . . . . 20.0 110.771 -178.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 N--CA 1.48 1.05 0 CA-C-N 116.076 -0.511 . . . . 20.0 110.795 -179.228 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.175 0 O5'-C5'-C4' 114.185 2.846 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.722 0 O4'-C4'-C3' 108.562 2.962 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.556 0 O5'-C5'-C4' 114.125 2.804 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.55 0 O5'-C5'-C4' 115.097 3.498 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.383 0 O4'-C4'-C3' 109.483 3.883 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.671 1 P-O3'-C3' 124.686 4.155 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.55 0 O4'-C4'-C3' 109.295 3.695 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.023 0 O4'-C4'-C3' 108.895 3.295 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.793 1 C3'-C2'-C1' 96.11 -4.707 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.282 0 C5'-C4'-C3' 110.194 -3.004 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.521 0 O5'-C5'-C4' 113.923 2.659 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.192 0 O5'-C5'-C4' 114.144 2.817 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.277 0 P-O3'-C3' 123.788 3.406 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.611 0 O5'-C5'-C4' 115.502 3.787 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.321 0 O4'-C4'-C3' 108.218 2.618 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.449 0 O4'-C4'-C3' 108.276 2.676 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.02 0 P-O3'-C3' 123.451 3.126 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.901 0 O4'-C4'-C3' 108.579 2.979 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.366 0 P-O3'-C3' 122.624 2.437 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.018 0 O4'-C4'-C3' 108.975 3.375 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.475 0 O4'-C4'-C3' 108.228 2.628 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.289 0 P-O3'-C3' 123.278 2.982 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.64 0 P-O3'-C3' 123.42 3.1 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.492 0 O4'-C4'-C3' 108.267 2.667 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.465 0 O5'-C5'-C4' 114.241 2.886 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.814 0 O5'-C5'-C4' 115.382 3.702 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 27' ' ' ' DG' . . . . . 0.433 " H1'" ' C8 ' ' E' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.355 1 C3'-C2'-C1' 96.636 -4.331 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 28' ' ' ' DG' . . . . . 0.433 ' C8 ' " H1'" ' E' ' 27' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.409 -1.686 0 P-O5'-C5' 126.775 3.672 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.817 0 O5'-C5'-C4' 114.491 3.065 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.183 0 P-O3'-C3' 123.268 2.974 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.048 1 O5'-C5'-C4' 116.275 4.34 . . . . 20.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.052 1 P-O3'-C3' 124.979 4.399 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.613 0 O4'-C4'-C3' 108.994 3.394 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.489 0 P-O3'-C3' 123.286 2.989 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.527 0 O4'-C4'-C3' 108.629 3.029 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.466 0 O4'-C4'-C3' 108.687 3.087 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.649 0 O4'-C4'-C3' 108.657 3.057 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.208 0 P-O3'-C3' 122.857 2.631 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 5.2 p30 . . . . . 0 CA--C 1.557 1.237 0 CA-C-O 120.764 0.316 . . . . 20.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 483' ' ' HIS . . . . . 0.41 ' HB3' HD21 ' A' ' 509' ' ' LEU . 54.9 p-80 -161.06 176.41 11.38 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 116.376 -0.375 . . . . 20.0 110.731 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -138.64 157.97 45.13 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.169 -0.468 . . . . 20.0 110.574 171.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -99.55 141.52 32.24 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.325 -0.398 . . . . 20.0 110.795 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 22.1 tp -137.37 113.82 10.19 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.078 -0.51 . . . . 20.0 110.334 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 27.9 mt -84.86 122.81 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 120.868 0.366 . . . . 20.0 110.515 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 48.2 t -134.66 123.98 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 115.936 -0.574 . . . . 20.0 110.113 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 38.4 t0 50.48 40.27 22.84 Favored 'General case' 0 CA--C 1.564 1.498 0 CA-C-O 121.066 0.46 . . . . 20.0 111.068 -177.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.31 -26.61 6.86 Favored Glycine 0 CA--C 1.547 2.052 0 CA-C-N 116.184 -0.462 . . . . 20.0 112.848 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 59.2 mtm-85 -80.34 132.6 35.82 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 120.638 0.256 . . . . 20.0 111.045 -177.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 84.8 t -80.01 117.86 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 116.462 -0.336 . . . . 20.0 110.103 170.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.0 m-30 -100.9 155.14 18.12 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.334 -0.394 . . . . 20.0 110.225 173.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -118.54 127.26 53.45 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.132 -0.485 . . . . 20.0 110.021 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.6 mt -121.01 130.45 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-O 120.915 0.388 . . . . 20.0 111.116 -169.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 5.9 t -67.06 138.45 57.16 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.982 -0.554 . . . . 20.0 110.584 175.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 26.2 pt -70.28 -39.37 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 111.646 0.239 . . . . 20.0 111.646 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.85 -63.82 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 111.954 0.353 . . . . 20.0 111.954 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.3 p -105.07 -4.53 21.83 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.386 0.513 . . . . 20.0 112.386 -169.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 57.2 35.39 26.13 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 122.654 0.382 . . . . 20.0 111.856 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -76.8 131.57 38.74 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.932 -0.395 . . . . 20.0 109.932 169.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 32.9 p -93.1 146.12 23.89 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.978 0.418 . . . . 20.0 111.132 -177.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -138.5 140.82 39.31 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.782 -0.644 . . . . 20.0 110.931 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 74.1 t -80.3 -16.84 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 115.96 -0.564 . . . . 20.0 111.125 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 73.2 m -134.73 136.0 42.36 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 116.488 -0.323 . . . . 20.0 111.07 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 21.7 mt -61.31 -38.94 88.64 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 116.341 -0.391 . . . . 20.0 110.857 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 7.5 p -52.32 -45.49 65.62 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-O 120.886 0.374 . . . . 20.0 110.873 176.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 3.7 t -64.98 -40.16 94.57 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.188 -0.46 . . . . 20.0 110.97 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 483' ' ' HIS . 4.9 tp -62.81 -46.12 89.44 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 116.279 -0.418 . . . . 20.0 111.127 178.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -59.66 -46.58 88.6 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 120.801 0.334 . . . . 20.0 110.311 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -54.79 -42.79 72.19 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.883 -0.598 . . . . 20.0 111.056 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -69.6 -43.99 71.67 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 116.33 -0.395 . . . . 20.0 111.401 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -59.4 -22.83 61.99 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 111.667 0.247 . . . . 20.0 111.667 -173.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -22.24 64.27 Favored 'General case' 0 CA--C 1.568 1.66 0 C-N-CA 122.105 0.162 . . . . 20.0 111.237 177.03 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 49.4 mt -74.85 -19.37 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 122.301 0.24 . . . . 20.0 111.06 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -98.75 -42.67 7.1 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.583 0.23 . . . . 20.0 111.078 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 87.9 p -72.23 -36.94 69.25 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.514 -0.312 . . . . 20.0 111.305 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 61.4 m95 51.23 31.24 6.62 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.269 0.556 . . . . 20.0 110.298 -169.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.11 -33.3 75.17 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.724 -0.671 . . . . 20.0 110.674 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -127.77 116.19 19.83 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.081 -0.509 . . . . 20.0 110.419 177.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -88.79 146.34 25.06 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.158 -0.474 . . . . 20.0 110.505 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -121.75 80.0 40.3 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-N 116.114 -0.494 . . . . 20.0 110.423 176.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -75.82 146.72 30.12 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.759 2.306 . . . . 20.0 112.416 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 14.2 t -71.84 170.35 13.86 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-N 115.919 -0.582 . . . . 20.0 110.782 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.16 -40.22 7.29 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 116.387 -0.369 . . . . 20.0 110.754 175.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -85.72 -17.96 34.45 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.968 -0.56 . . . . 20.0 111.536 -172.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 18.1 p -141.96 170.28 16.02 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-O 120.838 0.352 . . . . 20.0 110.811 175.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -84.99 7.58 20.8 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 116.371 -0.377 . . . . 20.0 111.8 -174.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -66.77 149.49 50.48 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 120.695 0.283 . . . . 20.0 111.07 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 14.9 t -127.16 138.31 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 CA-C-N 116.25 -0.432 . . . . 20.0 110.814 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -111.62 152.5 44.1 Favored Pre-proline 0 CA--C 1.546 0.79 0 CA-C-N 115.937 -0.574 . . . . 20.0 110.652 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -84.69 -7.39 9.6 Favored 'Trans proline' 0 CA--C 1.553 1.432 0 C-N-CA 122.849 2.366 . . . . 20.0 112.736 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.2 mp -132.19 144.43 50.66 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.528 0.331 . . . . 20.0 110.223 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.01 88.31 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 116.499 -0.319 . . . . 20.0 110.989 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -65.67 -37.06 85.44 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 116.686 -0.233 . . . . 20.0 111.04 -176.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -60.62 -41.89 95.75 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.617 0.246 . . . . 20.0 110.561 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -61.48 -52.31 65.03 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.389 -0.369 . . . . 20.0 110.448 174.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 52.6 m -54.06 -49.74 68.32 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 116.38 -0.373 . . . . 20.0 110.942 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -61.89 -37.82 86.03 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 116.726 -0.216 . . . . 20.0 111.263 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -65.81 -41.52 91.76 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-O 120.732 0.301 . . . . 20.0 110.785 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.77 -29.65 68.08 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.695 -0.229 . . . . 20.0 111.279 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 28.4 mt -65.11 -29.39 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-O 120.567 0.222 . . . . 20.0 110.538 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 543' ' ' HIS . . . . . 0.447 ' HA ' HD11 ' A' ' 560' ' ' ILE . 2.8 t-80 -78.91 -26.55 43.74 Favored 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 116.42 -0.355 . . . . 20.0 111.225 175.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -73.53 -41.33 63.14 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 120.754 0.312 . . . . 20.0 110.762 174.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 16.4 p -80.92 -40.78 24.02 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 116.305 -0.407 . . . . 20.0 111.157 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 96.5 16.13 38.15 Favored Glycine 0 CA--C 1.544 1.857 0 C-N-CA 121.498 -0.382 . . . . 20.0 112.748 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.7 115.21 2.03 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 116.892 0.346 . . . . 20.0 111.078 -177.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 48.0 mmt-85 -83.85 80.01 9.29 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.065 0.46 . . . . 20.0 110.495 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 39.5 mtp85 -71.33 -36.45 71.56 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 115.864 -0.607 . . . . 20.0 111.698 -173.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -101.19 110.7 22.75 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.533 -0.303 . . . . 20.0 111.053 -169.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -105.09 130.87 53.18 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 120.816 0.341 . . . . 20.0 110.796 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 45.6 t -69.82 151.11 46.13 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.175 -0.466 . . . . 20.0 110.137 171.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 78.2 mt -106.91 -17.72 14.12 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.69 -0.232 . . . . 20.0 111.39 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.16 -48.2 24.77 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 116.744 -0.207 . . . . 20.0 111.093 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.1 p -120.0 -3.03 10.17 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 111.954 0.353 . . . . 20.0 111.954 -176.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 80.04 -1.42 79.88 Favored Glycine 0 CA--C 1.556 2.625 0 C-N-CA 121.041 -0.599 . . . . 20.0 113.485 172.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -68.49 140.49 55.69 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 117.223 0.511 . . . . 20.0 111.069 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 16.1 m -106.09 143.48 34.16 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 116.242 -0.435 . . . . 20.0 111.197 -176.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -132.93 159.25 40.48 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 116.002 -0.544 . . . . 20.0 110.747 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 560' ' ' ILE . . . . . 0.447 HD11 ' HA ' ' A' ' 543' ' ' HIS . 7.0 tt -84.7 -25.34 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 116.199 -0.455 . . . . 20.0 111.915 -171.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 37.2 p30 -152.76 171.34 18.39 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 121.055 0.455 . . . . 20.0 111.327 -177.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -66.34 -36.53 83.15 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.949 -0.569 . . . . 20.0 111.26 -176.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.3 mp0 -61.29 -47.98 83.48 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 120.586 0.232 . . . . 20.0 111.183 -174.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -67.26 -40.72 86.27 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 116.686 -0.234 . . . . 20.0 110.788 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 32.8 ttp -59.47 -49.67 76.9 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 116.604 -0.271 . . . . 20.0 111.043 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 40.0 t -59.73 -46.82 87.96 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 116.65 -0.25 . . . . 20.0 110.835 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 32.6 t -57.24 -44.96 84.29 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 116.433 -0.349 . . . . 20.0 110.938 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -62.36 -48.11 81.22 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.442 -0.345 . . . . 20.0 111.294 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.25 -34.16 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 120.586 0.231 . . . . 20.0 110.669 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -71.63 -45.6 61.6 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.557 -0.292 . . . . 20.0 111.127 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 95.4 p -77.09 -33.16 57.06 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 111.787 0.291 . . . . 20.0 111.787 -173.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 70.9 t -96.14 -49.61 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 CA-C-O 120.507 0.194 . . . . 20.0 111.441 -173.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 . . . . . 0 CA--C 1.55 0.955 0 CA-C-N 116.602 -0.272 . . . . 20.0 111.664 -172.89 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 2.4 mp . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 120.5 0.19 . . . . 20.0 111.5 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -145.64 158.67 43.82 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.028 0.442 . . . . 20.0 111.213 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -134.06 138.74 45.52 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.785 -0.643 . . . . 20.0 110.31 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.1 tt -96.91 124.59 40.93 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 116.289 -0.414 . . . . 20.0 110.675 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -104.41 145.75 31.27 Favored Pre-proline 0 CA--C 1.55 0.97 0 CA-C-N 116.301 -0.409 . . . . 20.0 110.523 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -60.12 157.34 35.1 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 122.554 2.169 . . . . 20.0 112.424 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 48.3 t -93.41 126.35 38.5 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.189 -0.459 . . . . 20.0 110.466 176.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 33.4 ptt-85 -116.62 -16.02 10.76 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 116.41 -0.359 . . . . 20.0 111.369 -177.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 38.2 m -66.65 -26.84 67.25 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.584 -0.28 . . . . 20.0 111.388 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.2 pp -143.23 163.3 33.31 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 120.713 0.292 . . . . 20.0 110.657 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -86.64 122.72 30.95 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-O 121.033 0.445 . . . . 20.0 111.422 -171.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 35.6 pt -144.57 170.18 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 115.644 -0.707 . . . . 20.0 109.961 174.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -73.33 134.77 44.23 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 110.058 -0.349 . . . . 20.0 110.058 170.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -110.57 99.67 8.61 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.193 -0.458 . . . . 20.0 110.746 -172.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -59.65 147.43 37.47 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.262 -0.426 . . . . 20.0 110.643 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.89 -10.01 44.03 Favored 'General case' 0 CA--C 1.559 1.318 0 N-CA-C 112.186 0.439 . . . . 20.0 112.186 -171.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -84.48 -18.56 35.46 Favored 'General case' 0 CA--C 1.552 1.055 0 O-C-N 122.408 -0.183 . . . . 20.0 111.429 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.477 0.889 0 CA-C-O 120.61 0.243 . . . . 20.0 110.476 170.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 482' ' ' ASP . . . . . 0.434 ' CG ' HH12 ' A' ' 510' ' ' ARG . 8.0 p30 . . . . . 0 CA--C 1.556 1.174 0 CA-C-O 120.713 0.292 . . . . 20.0 111.056 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -161.28 175.25 12.49 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.583 0.353 . . . . 20.0 110.741 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -136.18 157.91 45.68 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.108 -0.497 . . . . 20.0 110.023 169.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -112.58 127.41 56.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.014 0.435 . . . . 20.0 110.81 -173.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.8 tp -121.97 118.14 28.11 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.633 -0.712 . . . . 20.0 110.16 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 25.6 mt -88.82 122.12 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 120.953 0.406 . . . . 20.0 110.618 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 41.9 t -138.14 129.31 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 115.823 -0.626 . . . . 20.0 110.092 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.69 35.83 19.4 Favored 'General case' 0 CA--C 1.565 1.558 0 CA-C-O 120.967 0.413 . . . . 20.0 111.208 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.29 3.87 88.73 Favored Glycine 0 CA--C 1.55 2.229 0 CA-C-N 116.349 -0.387 . . . . 20.0 112.836 177.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -111.67 135.3 52.46 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.524 0.33 . . . . 20.0 110.724 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 97.6 t -80.07 123.23 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 116.477 -0.328 . . . . 20.0 110.29 174.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -108.75 114.73 28.76 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.363 -0.381 . . . . 20.0 110.518 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -79.79 119.89 23.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.38 -0.373 . . . . 20.0 110.197 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.1 mt -114.35 131.13 67.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-O 120.944 0.402 . . . . 20.0 111.086 -171.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.5 t -66.69 137.25 56.55 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.998 -0.546 . . . . 20.0 110.809 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 20.4 pt -69.64 -38.42 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 116.618 -0.264 . . . . 20.0 111.652 -176.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 52.2 t -60.82 -65.52 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 N-CA-C 111.898 0.333 . . . . 20.0 111.898 -176.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.4 p -105.16 -1.82 24.98 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-N 116.041 -0.527 . . . . 20.0 112.412 -169.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 56.96 40.63 28.64 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 122.561 0.345 . . . . 20.0 111.575 -175.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -80.77 130.21 34.95 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-N 116.367 -0.379 . . . . 20.0 110.263 170.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 33.7 p -93.45 151.17 19.91 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 120.995 0.426 . . . . 20.0 111.289 -177.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -144.16 141.95 30.26 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.781 -0.645 . . . . 20.0 111.136 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 80.2 t -78.72 -16.92 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 CA-C-N 115.92 -0.582 . . . . 20.0 110.887 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 84.3 m -135.16 138.91 44.15 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 120.796 0.331 . . . . 20.0 111.218 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.37 -34.07 73.36 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 116.184 -0.462 . . . . 20.0 110.737 174.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 39.2 p -55.05 -42.7 73.02 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 116.6 -0.273 . . . . 20.0 110.785 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 38.8 m -68.36 -38.63 81.62 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 116.505 -0.316 . . . . 20.0 110.991 177.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 7.1 tp -63.14 -46.4 87.38 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.511 -0.313 . . . . 20.0 110.82 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 510' ' ' ARG . . . . . 0.434 HH12 ' CG ' ' A' ' 482' ' ' ASP . 0.0 OUTLIER -61.84 -48.38 80.84 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 120.552 0.215 . . . . 20.0 110.695 177.384 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -52.31 -41.22 62.76 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 116.257 -0.429 . . . . 20.0 110.856 174.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -74.53 -43.39 56.03 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 116.167 -0.47 . . . . 20.0 111.42 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -62.0 -25.97 67.95 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 122.397 -0.189 . . . . 20.0 111.465 -174.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -20.57 61.59 Favored 'General case' 0 CA--C 1.557 1.212 0 CA-C-O 120.581 0.229 . . . . 20.0 111.186 175.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 21.7 mt -81.11 -16.01 12.43 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 C-N-CA 122.347 0.259 . . . . 20.0 110.95 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -97.68 -43.48 7.17 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.715 0.293 . . . . 20.0 110.897 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 85.2 p -80.01 -34.33 38.51 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.356 -0.384 . . . . 20.0 111.31 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 55.5 m95 49.36 39.16 15.59 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-O 121.217 0.532 . . . . 20.0 110.706 -172.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -71.53 -26.97 62.88 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.866 -0.606 . . . . 20.0 111.17 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -125.05 135.06 52.36 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 116.531 -0.304 . . . . 20.0 110.56 175.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -102.46 141.17 35.72 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.174 -0.466 . . . . 20.0 110.538 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 522' ' ' TYR . . . . . 0.407 ' CE1' ' HB2' ' A' ' 534' ' ' ALA . 83.2 m-85 -124.28 79.95 59.66 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-N 116.167 -0.47 . . . . 20.0 110.217 172.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -78.22 149.66 25.21 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.793 2.329 . . . . 20.0 112.607 -176.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 52.7 t -84.75 145.69 27.78 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.91 -0.586 . . . . 20.0 110.533 175.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -80.59 -37.34 31.41 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 116.519 -0.31 . . . . 20.0 110.918 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -84.01 -23.43 30.97 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 116.205 -0.452 . . . . 20.0 111.743 -171.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 15.2 p -139.2 161.58 37.07 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 120.769 0.319 . . . . 20.0 110.559 172.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -84.97 24.8 1.02 Allowed 'General case' 0 CA--C 1.564 1.481 0 N-CA-C 112.279 0.474 . . . . 20.0 112.279 -169.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -85.61 157.58 20.32 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 120.92 0.39 . . . . 20.0 111.198 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 11.1 t -128.81 138.21 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 CA-C-N 115.751 -0.659 . . . . 20.0 110.77 175.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -108.13 150.83 40.95 Favored Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 116.015 -0.538 . . . . 20.0 110.714 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -82.83 -0.61 10.15 Favored 'Trans proline' 0 CA--C 1.56 1.808 0 C-N-CA 122.89 2.394 . . . . 20.0 112.481 171.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 7.5 mp -133.58 141.14 47.55 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.841 0.456 . . . . 20.0 110.335 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 534' ' ' ALA . . . . . 0.407 ' HB2' ' CE1' ' A' ' 522' ' ' TYR . . . -69.97 -42.47 73.09 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 120.644 0.259 . . . . 20.0 111.159 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -61.12 -36.75 80.58 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 120.607 0.241 . . . . 20.0 110.924 -177.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -65.09 -39.97 93.94 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.629 -0.259 . . . . 20.0 110.833 177.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -55.25 35.15 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.878 0.37 . . . . 20.0 110.254 175.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 52.8 m -51.15 -59.21 4.43 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.906 -0.588 . . . . 20.0 111.184 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -62.45 -33.58 75.11 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 116.682 -0.235 . . . . 20.0 110.939 -175.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -66.97 -42.71 84.68 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 120.706 0.288 . . . . 20.0 111.03 175.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -70.31 -26.0 63.58 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 122.38 -0.2 . . . . 20.0 111.111 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 23.6 mt -64.59 -35.6 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-O 120.686 0.279 . . . . 20.0 110.449 170.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -73.14 -28.76 62.43 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.346 -0.388 . . . . 20.0 111.13 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -75.23 -42.44 55.34 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 120.77 0.319 . . . . 20.0 111.061 175.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 18.8 p -79.82 -19.92 47.34 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 116.413 -0.358 . . . . 20.0 111.409 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 77.23 13.67 83.38 Favored Glycine 0 CA--C 1.542 1.775 0 C-N-CA 121.481 -0.39 . . . . 20.0 112.652 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -55.73 116.59 3.01 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-O 120.776 0.322 . . . . 20.0 111.364 -175.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -78.59 129.94 35.37 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 116.259 -0.428 . . . . 20.0 110.154 171.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -136.33 -41.97 0.63 Allowed 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 116.298 -0.41 . . . . 20.0 111.556 -173.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -90.33 97.25 11.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.707 0.289 . . . . 20.0 110.412 -176.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -97.3 129.72 44.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.405 -0.361 . . . . 20.0 110.94 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 49.5 t -68.46 148.61 50.36 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.07 -0.513 . . . . 20.0 110.244 171.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 90.8 mt -103.74 -19.74 14.2 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 116.714 -0.221 . . . . 20.0 111.242 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.01 -48.37 24.42 Favored 'General case' 0 CA--C 1.556 1.174 0 CA-C-N 116.586 -0.279 . . . . 20.0 111.165 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 26.4 p -120.03 -1.61 10.36 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 112.054 0.39 . . . . 20.0 112.054 -175.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 81.51 -5.98 66.58 Favored Glycine 0 CA--C 1.556 2.643 0 C-N-CA 120.978 -0.63 . . . . 20.0 113.738 171.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -66.26 140.77 58.16 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 117.469 0.634 . . . . 20.0 111.065 -176.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 24.2 m -105.1 145.56 30.35 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 116.362 -0.381 . . . . 20.0 111.355 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -132.39 162.26 31.56 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.982 -0.554 . . . . 20.0 110.787 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 3.1 tt -80.14 -25.43 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 116.146 -0.479 . . . . 20.0 111.531 -172.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -155.05 175.05 14.32 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 121.111 0.481 . . . . 20.0 111.232 -174.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -63.86 -37.03 85.87 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.856 -0.611 . . . . 20.0 111.096 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -62.67 -48.52 78.93 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 116.419 -0.355 . . . . 20.0 111.205 -172.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -68.55 -42.7 78.0 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.901 -0.136 . . . . 20.0 110.869 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 565' ' ' MET . . . . . 0.421 ' SD ' HD12 ' A' ' 569' ' ' ILE . 14.2 tmm? -56.43 -47.57 78.8 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 116.643 -0.253 . . . . 20.0 110.727 176.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 38.5 t -60.79 -49.1 78.84 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.559 -0.291 . . . . 20.0 110.959 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 29.1 t -56.34 -41.96 76.94 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.681 0.276 . . . . 20.0 110.881 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -64.83 -50.46 66.57 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 116.456 -0.338 . . . . 20.0 111.202 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 569' ' ' ILE . . . . . 0.421 HD12 ' SD ' ' A' ' 565' ' ' MET . 20.1 mt -64.3 -36.46 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-O 120.63 0.253 . . . . 20.0 110.679 -177.12 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -67.08 -42.31 84.85 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 116.59 -0.277 . . . . 20.0 111.046 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 41.4 m -77.77 -36.46 50.53 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 116.571 -0.286 . . . . 20.0 111.69 -174.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 73.8 t -97.11 -47.81 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 116.635 -0.257 . . . . 20.0 111.409 -171.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 . . . . . 0 CA--C 1.551 1.01 0 CA-C-N 116.643 -0.253 . . . . 20.0 111.497 -173.673 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 112.102 0.408 . . . . 20.0 112.102 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -147.62 162.71 38.58 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.09 0.471 . . . . 20.0 111.476 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -138.22 137.96 38.06 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.644 -0.707 . . . . 20.0 110.156 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.5 tt -102.08 113.71 27.19 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.425 -0.352 . . . . 20.0 110.667 -175.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -88.28 152.88 50.77 Favored Pre-proline 0 CA--C 1.554 1.114 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.928 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -63.97 158.83 45.33 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 122.468 2.112 . . . . 20.0 112.554 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 24.7 t -94.59 131.53 40.25 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.143 -0.481 . . . . 20.0 110.575 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -120.13 -22.42 6.65 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 116.3 -0.409 . . . . 20.0 111.448 -174.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 49.1 m -73.73 -21.39 60.23 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 111.877 0.325 . . . . 20.0 111.877 -171.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 3.0 pp -143.27 169.05 18.36 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 120.876 0.369 . . . . 20.0 111.293 -177.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -91.08 113.26 25.48 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 116.119 -0.491 . . . . 20.0 111.635 -171.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 23.6 pt -149.79 164.61 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 115.718 -0.674 . . . . 20.0 110.309 169.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -73.23 145.66 46.04 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.952 -0.388 . . . . 20.0 109.952 171.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -126.14 152.04 46.46 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.046 0.451 . . . . 20.0 110.822 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 597' ' ' TYR . . . . . 0.45 ' H ' ' CD2' ' A' ' 600' ' ' LEU . 87.7 m-85 -103.17 157.8 16.75 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.771 -0.65 . . . . 20.0 110.678 -177.396 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.77 -9.94 56.48 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-N 116.57 -0.286 . . . . 20.0 111.747 -175.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -77.53 -20.49 54.1 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 121.314 -0.154 . . . . 20.0 110.855 173.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 600' ' ' LEU . . . . . 0.45 ' CD2' ' H ' ' A' ' 597' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 109.944 -0.391 . . . . 20.0 109.944 169.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 35.8 p30 . . . . . 0 CA--C 1.552 1.02 0 CA-C-O 120.817 0.341 . . . . 20.0 111.07 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 483' ' ' HIS . . . . . 0.451 ' HB3' HD21 ' A' ' 509' ' ' LEU . 56.5 p-80 -158.72 175.0 14.17 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 120.815 0.34 . . . . 20.0 110.909 178.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -137.54 160.57 38.78 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.37 171.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -102.59 119.42 38.8 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.403 -0.362 . . . . 20.0 110.675 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.2 tp -115.38 114.56 25.27 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.076 -0.511 . . . . 20.0 110.171 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 29.8 mt -87.18 123.22 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-O 120.97 0.414 . . . . 20.0 110.591 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 47.9 t -134.19 123.56 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 115.841 -0.618 . . . . 20.0 110.144 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 36.0 t0 49.84 42.12 23.52 Favored 'General case' 0 CA--C 1.564 1.517 0 CA-C-O 121.086 0.47 . . . . 20.0 111.064 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 86.61 -21.38 18.62 Favored Glycine 0 CA--C 1.549 2.163 0 CA-C-N 116.172 -0.467 . . . . 20.0 113.04 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 56.9 mtt85 -89.24 135.74 33.41 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 116.887 0.343 . . . . 20.0 111.058 -177.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 99.8 t -81.59 122.67 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 116.48 -0.327 . . . . 20.0 110.209 173.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -108.21 116.87 32.76 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.398 -0.365 . . . . 20.0 110.476 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -79.84 117.17 20.47 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.276 -0.42 . . . . 20.0 110.282 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.1 mt -112.9 127.85 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-O 120.802 0.334 . . . . 20.0 111.082 -172.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 4.0 t -65.16 137.05 57.38 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.227 -0.442 . . . . 20.0 110.594 176.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 35.5 pt -68.69 -39.22 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 111.75 0.278 . . . . 20.0 111.75 -176.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.83 -64.43 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 N-CA-C 111.871 0.322 . . . . 20.0 111.871 -175.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 26.5 p -104.99 -3.24 23.5 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 115.984 -0.553 . . . . 20.0 112.358 -169.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 57.8 37.54 27.09 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 122.576 0.35 . . . . 20.0 111.668 -178.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -80.57 131.09 35.47 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 110.149 -0.315 . . . . 20.0 110.149 169.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 24.4 p -93.24 145.94 24.06 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.971 0.415 . . . . 20.0 111.279 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -138.24 140.52 39.73 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.807 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 75.9 t -82.86 -16.31 11.5 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.835 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 75.5 m -134.71 134.91 41.56 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.412 -0.358 . . . . 20.0 110.961 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.42 -33.27 73.42 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 116.301 -0.409 . . . . 20.0 111.12 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 17.3 p -52.08 -46.59 65.25 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 120.727 0.298 . . . . 20.0 111.104 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 6.7 m -69.51 -33.36 72.72 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.445 -0.343 . . . . 20.0 111.181 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.451 HD21 ' HB3' ' A' ' 483' ' ' HIS . 7.7 tp -63.12 -46.33 87.79 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 116.915 -0.13 . . . . 20.0 110.862 176.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -58.45 -48.9 79.23 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 120.818 0.342 . . . . 20.0 110.344 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -57.45 -42.25 82.11 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.916 -0.584 . . . . 20.0 110.959 177.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -68.56 -46.31 69.79 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 116.4 -0.364 . . . . 20.0 111.324 -176.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -60.7 -21.24 62.68 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 111.465 0.172 . . . . 20.0 111.465 -173.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.43 -25.01 58.97 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 120.536 0.208 . . . . 20.0 111.22 174.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 36.5 mt -75.9 -19.48 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 122.447 0.299 . . . . 20.0 111.202 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -96.74 -40.61 8.88 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.618 0.247 . . . . 20.0 111.051 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 81.0 p -81.94 -34.75 29.68 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.521 -0.309 . . . . 20.0 111.445 -175.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 36.5 m95 50.32 36.32 12.63 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.138 0.494 . . . . 20.0 110.856 -171.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -69.26 -28.93 66.75 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.108 -0.496 . . . . 20.0 110.922 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -129.16 122.85 30.66 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.351 -0.386 . . . . 20.0 110.349 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -93.43 150.5 20.41 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 116.216 -0.447 . . . . 20.0 110.653 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -124.03 79.92 57.98 Favored Pre-proline 0 CA--C 1.546 0.82 0 CA-C-N 116.12 -0.491 . . . . 20.0 110.219 175.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.44 153.66 31.05 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.947 2.432 . . . . 20.0 112.545 -178.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 5.1 t -79.74 170.44 16.52 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.073 -0.512 . . . . 20.0 110.936 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -106.48 -40.06 5.69 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 115.876 -0.602 . . . . 20.0 110.766 176.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -78.41 -21.88 48.62 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.33 -0.395 . . . . 20.0 111.44 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 23.0 p -140.33 173.36 11.58 Favored 'General case' 0 CA--C 1.556 1.197 0 CA-C-O 120.832 0.349 . . . . 20.0 110.779 176.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -92.05 11.32 25.7 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 116.457 -0.338 . . . . 20.0 111.836 -174.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -71.65 149.12 45.85 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 120.713 0.292 . . . . 20.0 111.093 -177.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 8.7 t -127.57 138.84 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 CA-C-N 116.346 -0.388 . . . . 20.0 111.025 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -124.66 160.11 55.07 Favored Pre-proline 0 N--CA 1.477 0.895 0 CA-C-N 115.898 -0.592 . . . . 20.0 110.715 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -89.18 0.15 6.11 Favored 'Trans proline' 0 CA--C 1.559 1.748 0 C-N-CA 123.082 2.521 . . . . 20.0 113.376 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 1.9 mp -134.06 143.19 47.9 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.766 0.317 . . . . 20.0 110.838 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.54 -40.28 80.75 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 116.239 -0.437 . . . . 20.0 111.148 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -57.13 -50.46 72.74 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 120.814 0.34 . . . . 20.0 110.687 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -60.58 -34.28 73.95 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.186 -0.461 . . . . 20.0 110.663 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -67.52 -47.48 69.81 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.487 -0.324 . . . . 20.0 110.886 175.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 49.4 m -61.03 -52.88 63.12 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 116.754 -0.203 . . . . 20.0 110.949 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -63.12 -34.26 77.22 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 116.776 -0.193 . . . . 20.0 111.01 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -65.43 -44.62 86.8 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 120.669 0.271 . . . . 20.0 110.838 174.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -66.31 -32.08 73.27 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 122.44 -0.163 . . . . 20.0 111.041 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 27.2 mt -62.31 -29.9 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-O 120.713 0.292 . . . . 20.0 110.619 172.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 543' ' ' HIS . . . . . 0.482 ' HA ' HD11 ' A' ' 560' ' ' ILE . 2.5 t-80 -76.76 -26.3 54.4 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 116.485 -0.325 . . . . 20.0 111.134 176.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -75.09 -40.37 60.11 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-O 120.577 0.227 . . . . 20.0 110.866 174.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 69.4 p -76.93 -36.09 56.85 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 116.578 -0.283 . . . . 20.0 111.099 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 85.47 16.94 63.17 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 121.355 -0.45 . . . . 20.0 112.181 -175.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -55.98 120.87 8.12 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 120.871 0.367 . . . . 20.0 111.147 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -71.28 124.81 25.37 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.339 -0.391 . . . . 20.0 110.195 172.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 34.0 mmm-85 -115.91 -55.9 2.37 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.235 -0.439 . . . . 20.0 111.214 -173.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -99.76 114.47 27.64 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.351 -0.386 . . . . 20.0 110.776 -172.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -105.51 130.37 53.59 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 120.837 0.351 . . . . 20.0 110.843 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 49.4 t -68.68 147.91 51.17 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.155 -0.475 . . . . 20.0 110.092 171.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 87.7 mt -102.86 -17.57 15.47 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 116.694 -0.23 . . . . 20.0 111.313 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.13 -48.47 23.54 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 116.647 -0.251 . . . . 20.0 111.095 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 31.8 p -119.91 -2.55 10.29 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 112.092 0.405 . . . . 20.0 112.092 -174.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 80.02 -1.51 79.41 Favored Glycine 0 CA--C 1.557 2.695 0 C-N-CA 120.993 -0.622 . . . . 20.0 113.56 172.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -68.98 140.24 55.04 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-N 117.228 0.514 . . . . 20.0 111.026 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 43.9 m -107.0 147.04 30.38 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 116.327 -0.397 . . . . 20.0 111.178 -177.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -131.98 156.58 45.96 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.926 -0.579 . . . . 20.0 110.729 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 560' ' ' ILE . . . . . 0.482 HD11 ' HA ' ' A' ' 543' ' ' HIS . 5.9 tt -79.51 -23.94 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 116.242 -0.435 . . . . 20.0 111.651 -172.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -151.6 169.66 21.57 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-O 121.046 0.45 . . . . 20.0 111.156 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -66.95 -39.08 87.17 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 116.001 -0.545 . . . . 20.0 111.275 -175.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.6 mp0 -58.48 -44.92 89.55 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.622 -0.263 . . . . 20.0 111.155 -174.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -68.14 -42.95 79.38 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.598 -0.274 . . . . 20.0 111.018 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -40.37 92.03 Favored 'General case' 0 CA--C 1.554 1.096 0 CA-C-N 116.696 -0.229 . . . . 20.0 111.093 -176.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 34.8 t -63.78 -46.08 86.84 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.602 0.239 . . . . 20.0 110.618 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 16.5 t -58.15 -41.81 84.56 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 116.419 -0.355 . . . . 20.0 110.815 176.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -62.52 -47.86 82.08 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 116.412 -0.358 . . . . 20.0 111.353 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 57.2 mt -64.43 -39.67 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-O 120.596 0.236 . . . . 20.0 110.654 -177.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -67.08 -44.69 79.39 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.574 -0.284 . . . . 20.0 111.097 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 22.9 t -74.84 -39.39 61.64 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 111.709 0.263 . . . . 20.0 111.709 -175.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 77.1 t -92.19 -47.0 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 111.615 0.228 . . . . 20.0 111.615 -170.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 CA--C 1.548 0.898 0 CA-C-N 116.603 -0.271 . . . . 20.0 111.573 -173.328 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 111.547 0.202 . . . . 20.0 111.547 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -147.82 162.27 39.58 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.963 0.411 . . . . 20.0 111.221 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -140.18 138.68 35.35 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.784 -0.644 . . . . 20.0 110.308 176.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -103.07 117.36 34.39 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.429 -0.35 . . . . 20.0 110.57 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -92.05 160.63 35.24 Favored Pre-proline 0 CA--C 1.553 1.077 0 CA-C-N 116.178 -0.464 . . . . 20.0 110.675 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.49 161.44 43.38 Favored 'Trans proline' 0 CA--C 1.544 1.017 0 C-N-CA 122.713 2.275 . . . . 20.0 112.636 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 42.1 t -100.38 130.23 46.45 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.111 -0.495 . . . . 20.0 110.333 173.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -123.72 -14.31 7.27 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 116.433 -0.349 . . . . 20.0 111.445 -177.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 37.4 m -69.97 -23.72 63.22 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 116.617 -0.265 . . . . 20.0 111.46 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.9 pp -140.26 164.94 28.73 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-O 120.923 0.392 . . . . 20.0 110.868 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -82.79 117.35 22.62 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 116.037 -0.529 . . . . 20.0 111.561 -170.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 33.3 pt -143.95 166.55 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 CA-C-N 115.781 -0.645 . . . . 20.0 110.25 173.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -71.22 138.4 49.45 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 110.007 -0.368 . . . . 20.0 110.007 171.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -111.16 96.33 6.07 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.35 -0.386 . . . . 20.0 110.768 -172.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -51.87 142.03 16.23 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.889 -0.596 . . . . 20.0 110.906 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -61.96 -18.11 59.23 Favored 'General case' 0 CA--C 1.557 1.239 0 N-CA-C 111.679 0.251 . . . . 20.0 111.679 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -81.35 -18.78 44.43 Favored 'General case' 0 CA--C 1.554 1.119 0 CA-C-O 120.631 0.253 . . . . 20.0 111.205 176.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.751 0 CA-C-N 116.467 -0.333 . . . . 20.0 110.515 170.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 33.7 p30 . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 112.558 0.577 . . . . 20.0 112.558 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -160.54 174.01 14.68 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 121.023 0.439 . . . . 20.0 111.782 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -138.62 162.05 35.59 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.486 -0.779 . . . . 20.0 110.095 171.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -102.78 120.75 41.14 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.451 -0.34 . . . . 20.0 110.744 -177.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.3 tp -117.07 116.33 27.12 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.004 -0.544 . . . . 20.0 110.158 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 33.7 mt -89.38 123.57 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 120.958 0.408 . . . . 20.0 110.606 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 45.2 t -138.51 129.51 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 115.755 -0.657 . . . . 20.0 110.096 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.03 36.62 19.16 Favored 'General case' 0 CA--C 1.564 1.498 0 CA-C-O 120.935 0.398 . . . . 20.0 111.208 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.68 0.84 85.73 Favored Glycine 0 CA--C 1.552 2.36 0 CA-C-N 116.5 -0.318 . . . . 20.0 112.911 177.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -107.66 134.77 50.17 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.513 0.325 . . . . 20.0 110.7 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 89.0 t -81.37 121.5 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 116.589 -0.278 . . . . 20.0 110.318 174.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -108.76 115.58 30.35 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.523 177.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -79.83 116.03 19.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.329 -0.396 . . . . 20.0 110.027 176.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 2.8 mt -109.26 128.41 65.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-N 116.379 -0.373 . . . . 20.0 110.968 -172.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 2.6 t -65.8 135.65 55.16 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.066 -0.515 . . . . 20.0 110.629 175.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 35.7 pt -69.4 -38.23 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 111.774 0.287 . . . . 20.0 111.774 -175.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 47.8 t -60.81 -64.8 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 N-CA-C 111.81 0.3 . . . . 20.0 111.81 -176.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 29.1 p -105.11 -3.81 22.63 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.33 0.493 . . . . 20.0 112.33 -169.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 59.45 36.29 23.08 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 122.593 0.357 . . . . 20.0 111.768 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -80.43 131.39 35.58 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 110.058 -0.349 . . . . 20.0 110.058 169.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 21.4 p -92.49 146.09 23.95 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.311 -0.404 . . . . 20.0 111.235 -176.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -137.53 138.08 39.27 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.972 -0.558 . . . . 20.0 110.923 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 52.8 t -80.08 -15.82 12.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-N 115.945 -0.571 . . . . 20.0 111.029 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 78.9 m -136.57 135.13 38.16 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.778 0.323 . . . . 20.0 110.871 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 30.3 mt -60.31 -36.21 77.37 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 116.345 -0.389 . . . . 20.0 110.971 177.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 14.2 p -54.11 -39.57 66.51 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 120.816 0.341 . . . . 20.0 110.875 175.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 5.4 t -69.39 -40.09 77.6 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.07 -0.514 . . . . 20.0 110.867 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.29 -45.35 93.63 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.326 -0.397 . . . . 20.0 111.114 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -58.31 -46.65 85.76 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 120.772 0.32 . . . . 20.0 110.271 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -55.73 -45.21 78.0 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.862 -0.608 . . . . 20.0 110.634 175.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -69.21 -48.68 61.37 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 116.222 -0.445 . . . . 20.0 111.425 -174.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -61.85 -21.0 64.29 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-O 120.505 0.193 . . . . 20.0 111.491 -171.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -23.02 62.94 Favored 'General case' 0 CA--C 1.561 1.399 0 CA-C-N 116.749 -0.205 . . . . 20.0 111.217 175.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 38.0 mt -76.54 -19.17 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-O 120.599 0.238 . . . . 20.0 110.95 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -97.85 -42.41 7.58 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.717 0.294 . . . . 20.0 110.985 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 89.3 p -78.57 -34.01 47.24 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.362 -0.381 . . . . 20.0 111.329 -176.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 61.5 m95 50.65 39.44 21.61 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 121.212 0.529 . . . . 20.0 110.521 -169.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.44 -30.24 70.55 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.802 -0.635 . . . . 20.0 111.006 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -133.53 122.8 24.11 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.269 -0.423 . . . . 20.0 110.454 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -92.94 143.53 26.16 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.287 -0.415 . . . . 20.0 110.421 174.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -122.41 79.93 45.9 Favored Pre-proline 0 CA--C 1.541 0.612 0 CA-C-N 116.16 -0.473 . . . . 20.0 110.471 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.84 148.95 46.97 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.623 2.215 . . . . 20.0 112.42 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 24.5 t -73.61 170.48 15.13 Favored 'General case' 0 CA--C 1.557 1.235 0 CA-C-N 115.876 -0.602 . . . . 20.0 110.42 173.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -110.43 -39.96 4.78 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 116.205 -0.452 . . . . 20.0 110.841 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -79.16 -20.83 47.52 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 116.299 -0.409 . . . . 20.0 111.348 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.8 p -139.66 170.49 15.79 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 120.666 0.27 . . . . 20.0 110.594 172.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -94.36 16.78 14.24 Favored 'General case' 0 CA--C 1.564 1.486 0 N-CA-C 112.268 0.47 . . . . 20.0 112.268 -169.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -78.82 161.73 26.58 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 120.772 0.32 . . . . 20.0 110.956 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 15.2 t -130.69 139.07 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 CA-C-N 116.168 -0.469 . . . . 20.0 111.124 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -109.98 152.19 42.89 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 115.928 -0.578 . . . . 20.0 110.673 175.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -83.62 -3.32 10.63 Favored 'Trans proline' 0 CA--C 1.557 1.64 0 C-N-CA 122.838 2.358 . . . . 20.0 112.776 175.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.1 mp -134.19 146.06 49.8 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.586 0.355 . . . . 20.0 110.313 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -67.58 -49.58 62.47 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.628 -0.26 . . . . 20.0 111.168 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -56.94 -35.68 69.36 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.67 -0.241 . . . . 20.0 111.098 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -63.44 -40.46 97.21 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.734 -0.212 . . . . 20.0 110.716 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.04 -39.71 93.25 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.648 0.261 . . . . 20.0 110.318 175.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 24.3 m -67.17 -55.79 12.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.436 -0.347 . . . . 20.0 110.892 -175.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -61.18 -34.66 75.41 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.639 -0.255 . . . . 20.0 110.839 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -66.01 -46.85 76.44 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-O 120.63 0.252 . . . . 20.0 111.049 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -65.65 -31.72 72.9 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 122.391 -0.193 . . . . 20.0 111.056 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 9.5 mt -59.6 -33.92 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-O 120.985 0.422 . . . . 20.0 110.397 171.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -29.48 67.37 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.17 -0.468 . . . . 20.0 110.881 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -78.25 -42.65 30.46 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 116.665 -0.243 . . . . 20.0 111.141 177.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 82.4 p -76.0 -18.22 59.37 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 116.825 -0.17 . . . . 20.0 111.311 -177.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 76.64 15.91 81.18 Favored Glycine 0 CA--C 1.543 1.794 0 C-N-CA 121.442 -0.409 . . . . 20.0 112.346 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.46 109.69 1.24 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 120.817 0.341 . . . . 20.0 110.981 -176.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 64.2 mtm180 -80.1 127.36 32.22 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.868 0.366 . . . . 20.0 110.145 175.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -107.72 -51.45 2.9 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.909 -0.587 . . . . 20.0 111.581 -169.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -97.68 110.43 22.99 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.365 -0.379 . . . . 20.0 110.871 -171.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -93.04 123.69 36.48 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.351 -0.386 . . . . 20.0 110.645 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 35.3 t -77.29 100.01 5.72 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.283 -0.417 . . . . 20.0 110.535 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 75.2 mt -61.83 -15.06 38.95 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 111.887 0.329 . . . . 20.0 111.887 -175.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.07 -50.07 17.63 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-O 120.352 0.12 . . . . 20.0 111.317 -177.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.7 p -120.07 -5.28 10.02 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 111.88 0.326 . . . . 20.0 111.88 -174.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 91.51 -7.87 79.48 Favored Glycine 0 CA--C 1.551 2.33 0 C-N-CA 121.536 -0.364 . . . . 20.0 113.274 174.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -74.61 133.48 42.17 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 117.293 0.546 . . . . 20.0 110.86 -175.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 49.8 m -105.96 150.15 25.96 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.435 -0.348 . . . . 20.0 110.969 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -130.2 154.76 47.21 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.151 -0.477 . . . . 20.0 110.882 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.5 tt -76.21 -23.04 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 116.196 -0.456 . . . . 20.0 111.58 -173.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 29.5 p30 -153.26 170.95 19.34 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.83 0.348 . . . . 20.0 110.901 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 562' ' ' TYR . . . . . 0.427 ' CD1' ' HE3' ' A' ' 565' ' ' MET . 1.1 t80 -71.85 -34.34 69.18 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.273 -0.421 . . . . 20.0 111.063 -175.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.7 mp0 -55.68 -44.51 77.38 Favored 'General case' 0 CA--C 1.554 1.116 0 O-C-N 122.205 -0.309 . . . . 20.0 110.893 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -69.44 -46.58 66.39 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.623 -0.262 . . . . 20.0 111.176 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 565' ' ' MET . . . . . 0.427 ' HE3' ' CD1' ' A' ' 562' ' ' TYR . 15.2 tmm? -61.93 -46.84 87.56 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 120.673 0.273 . . . . 20.0 111.036 -177.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 31.9 t -59.34 -46.66 88.01 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.488 -0.324 . . . . 20.0 110.741 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 23.0 t -59.83 -43.13 94.72 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.46 -0.336 . . . . 20.0 110.889 177.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -64.83 -48.16 75.36 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 116.399 -0.364 . . . . 20.0 111.339 -177.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 17.2 mt -66.79 -35.08 73.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-O 120.565 0.222 . . . . 20.0 110.782 -177.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -68.19 -42.55 79.74 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.603 -0.271 . . . . 20.0 111.026 176.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 36.8 m -78.59 -35.53 45.65 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.563 -0.29 . . . . 20.0 111.781 -173.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 71.7 t -99.01 -45.91 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 CA-C-O 120.534 0.207 . . . . 20.0 111.486 -170.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 . . . . . 0 CA--C 1.551 1.012 0 CA-C-N 116.676 -0.238 . . . . 20.0 111.448 -174.557 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 120.522 0.201 . . . . 20.0 111.435 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -146.95 161.89 39.85 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.993 0.425 . . . . 20.0 111.204 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -130.24 129.37 43.24 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.742 -0.663 . . . . 20.0 110.172 175.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -97.1 106.53 18.89 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 120.889 0.376 . . . . 20.0 110.492 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -82.24 155.62 69.43 Favored Pre-proline 0 CA--C 1.548 0.883 0 CA-C-N 116.108 -0.496 . . . . 20.0 110.67 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -66.24 160.87 43.01 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.441 2.094 . . . . 20.0 112.369 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 46.4 t -98.54 131.66 44.59 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.997 -0.547 . . . . 20.0 110.342 173.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.95 -14.82 3.06 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 116.514 -0.312 . . . . 20.0 111.568 -176.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 30.0 p -67.42 -21.34 65.57 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 122.19 0.196 . . . . 20.0 111.498 -177.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.5 pp -138.28 166.03 25.23 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 120.836 0.35 . . . . 20.0 110.822 177.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -88.74 107.68 19.08 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 116.216 -0.447 . . . . 20.0 111.569 -170.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 30.1 pt -145.35 170.99 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 CA-C-N 115.845 -0.616 . . . . 20.0 110.033 170.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -76.1 143.66 41.15 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 109.969 -0.382 . . . . 20.0 109.969 171.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -129.6 122.86 29.94 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.945 0.402 . . . . 20.0 110.557 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -67.24 156.36 36.51 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.861 -0.609 . . . . 20.0 111.138 -176.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.75 -12.15 61.41 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-N 116.245 -0.434 . . . . 20.0 111.785 -174.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -80.08 -16.59 54.68 Favored 'General case' 0 CA--C 1.555 1.154 0 O-C-N 122.498 -0.126 . . . . 20.0 111.335 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 110.292 -0.262 . . . . 20.0 110.292 169.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 18.4 p30 . . . . . 0 CA--C 1.554 1.133 0 CA-C-O 120.615 0.245 . . . . 20.0 111.393 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 483' ' ' HIS . . . . . 0.481 ' HB3' HD21 ' A' ' 509' ' ' LEU . 44.9 p-80 -161.16 174.93 12.94 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 120.935 0.398 . . . . 20.0 111.199 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -135.15 159.03 42.81 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.631 -0.713 . . . . 20.0 110.027 169.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 45.6 mp0 -104.61 129.19 52.75 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.968 0.413 . . . . 20.0 110.841 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 13.8 tp -126.34 111.87 15.01 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.896 -0.593 . . . . 20.0 110.163 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 27.7 mt -84.11 125.4 40.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 120.93 0.395 . . . . 20.0 110.748 -176.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 45.6 t -138.32 126.81 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 115.829 -0.623 . . . . 20.0 110.202 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 39.9 t0 50.64 38.04 17.98 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 121.01 0.433 . . . . 20.0 111.162 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 88.08 -21.88 21.69 Favored Glycine 0 CA--C 1.547 2.091 0 CA-C-N 116.18 -0.464 . . . . 20.0 113.054 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -89.87 138.56 31.39 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 116.905 0.353 . . . . 20.0 111.009 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 53.2 t -80.01 125.01 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.151 171.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -108.16 111.69 23.83 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.895 0.379 . . . . 20.0 110.393 175.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -79.87 122.12 26.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.172 -0.467 . . . . 20.0 110.304 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.9 mt -114.71 129.47 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 120.858 0.361 . . . . 20.0 110.89 -172.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 5.3 t -65.84 137.98 57.58 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.135 -0.484 . . . . 20.0 110.595 176.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 27.1 pt -70.56 -38.93 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 111.739 0.274 . . . . 20.0 111.739 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 44.7 t -60.92 -64.39 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-O 120.649 0.262 . . . . 20.0 111.665 -176.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 29.2 p -105.13 -5.67 20.58 Favored 'General case' 0 CA--C 1.557 1.227 0 N-CA-C 112.412 0.523 . . . . 20.0 112.412 -169.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 59.96 38.14 21.05 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 122.693 0.397 . . . . 20.0 111.78 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -81.22 131.45 35.3 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 109.99 -0.374 . . . . 20.0 109.99 169.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 29.9 p -96.1 143.31 27.35 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 120.982 0.42 . . . . 20.0 111.253 -175.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -133.49 135.41 44.44 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.65 -0.705 . . . . 20.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 57.2 t -75.28 -17.22 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 CA-C-N 116.016 -0.538 . . . . 20.0 110.949 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 71.2 m -135.39 136.68 41.64 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.427 -0.352 . . . . 20.0 110.888 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 14.7 mt -55.49 -35.7 65.85 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 116.349 -0.387 . . . . 20.0 110.793 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 32.7 p -52.02 -45.31 64.56 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.534 -0.303 . . . . 20.0 110.978 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 19.2 m -66.26 -38.91 88.97 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.534 -0.303 . . . . 20.0 111.014 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.481 HD21 ' HB3' ' A' ' 483' ' ' HIS . 6.1 tp -63.2 -47.59 81.91 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 116.499 -0.319 . . . . 20.0 110.962 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -46.21 89.45 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 120.774 0.321 . . . . 20.0 110.257 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -51.38 -47.46 62.85 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.85 -0.614 . . . . 20.0 110.839 172.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -71.14 -45.01 64.4 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 116.24 -0.436 . . . . 20.0 111.519 -173.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -60.95 -24.7 66.28 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 120.549 0.214 . . . . 20.0 111.287 -173.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -22.0 60.3 Favored 'General case' 0 CA--C 1.562 1.41 0 CA-C-N 116.679 -0.237 . . . . 20.0 111.306 175.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 32.0 mt -77.72 -19.56 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 122.352 0.261 . . . . 20.0 111.13 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -96.11 -44.27 7.38 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.623 0.249 . . . . 20.0 110.88 177.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 84.5 p -78.59 -34.19 46.98 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.506 -0.316 . . . . 20.0 111.345 -176.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 52.6 m95 51.9 34.69 14.01 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-O 121.107 0.479 . . . . 20.0 110.915 -173.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -69.52 -31.32 69.47 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 116.033 -0.53 . . . . 20.0 111.318 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -123.24 133.16 54.22 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 116.508 -0.314 . . . . 20.0 110.547 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -100.75 145.36 28.6 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.067 -0.515 . . . . 20.0 110.833 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -126.94 79.87 72.1 Favored Pre-proline 0 CA--C 1.55 0.967 0 CA-C-N 115.971 -0.558 . . . . 20.0 110.428 173.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.62 151.18 32.2 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.704 2.269 . . . . 20.0 112.533 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 43.9 t -86.64 142.64 28.09 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 116.079 -0.51 . . . . 20.0 110.772 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.14 -34.91 64.03 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 116.583 -0.281 . . . . 20.0 111.143 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -84.91 -26.6 27.16 Favored 'General case' 0 CA--C 1.557 1.219 0 CA-C-N 116.312 -0.403 . . . . 20.0 111.926 -171.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.9 p -140.03 160.41 39.98 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 120.862 0.363 . . . . 20.0 110.871 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -85.8 32.25 0.6 Allowed 'General case' 0 CA--C 1.563 1.443 0 CA-C-N 116.402 -0.363 . . . . 20.0 111.94 -170.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -94.39 163.57 13.37 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 120.829 0.347 . . . . 20.0 111.004 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 10.6 t -133.39 137.79 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 CA-C-N 115.99 -0.55 . . . . 20.0 110.964 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -106.97 152.11 40.86 Favored Pre-proline 0 CA--C 1.543 0.69 0 CA-C-N 115.977 -0.556 . . . . 20.0 110.754 176.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -83.03 -5.52 11.3 Favored 'Trans proline' 0 CA--C 1.551 1.348 0 C-N-CA 122.885 2.39 . . . . 20.0 112.629 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.4 mp -132.96 144.79 50.36 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.559 0.344 . . . . 20.0 110.506 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.29 91.45 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 116.312 -0.404 . . . . 20.0 111.057 176.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -61.92 -47.68 83.82 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.551 -0.295 . . . . 20.0 110.824 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -60.49 -35.56 76.22 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.457 -0.338 . . . . 20.0 110.766 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 537' ' ' ARG . . . . . 0.46 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -58.4 -59.28 5.6 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.288 -0.414 . . . . 20.0 110.342 171.32 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 538' ' ' THR . . . . . 0.46 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 96.0 m -57.1 -51.19 70.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.129 -0.487 . . . . 20.0 111.121 -172.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -61.21 -37.44 83.02 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.699 -0.228 . . . . 20.0 111.022 -177.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -68.92 -43.17 75.68 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.542 0.21 . . . . 20.0 110.928 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -65.46 -31.62 72.8 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 116.795 -0.184 . . . . 20.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 41.7 mt -62.1 -43.67 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 110.326 -0.25 . . . . 20.0 110.326 171.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -62.25 -32.71 73.44 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 116.502 -0.317 . . . . 20.0 110.906 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -72.26 -42.76 65.24 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 120.725 0.298 . . . . 20.0 110.936 173.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 10.6 m -76.28 -24.5 54.45 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 116.247 -0.433 . . . . 20.0 111.313 -173.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 84.74 8.92 82.07 Favored Glycine 0 CA--C 1.546 1.975 0 C-N-CA 121.62 -0.324 . . . . 20.0 112.923 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.79 121.65 14.52 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 117.007 0.403 . . . . 20.0 111.278 -176.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -83.09 137.14 34.22 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 116.269 -0.423 . . . . 20.0 110.214 170.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 9.9 ptm85 -129.76 -36.14 1.63 Allowed 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 116.43 -0.35 . . . . 20.0 111.53 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -94.96 108.92 20.98 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 110.491 -0.189 . . . . 20.0 110.491 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -103.63 129.47 50.93 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.768 0.318 . . . . 20.0 110.757 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 42.0 t -68.11 146.31 53.58 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.152 -0.476 . . . . 20.0 110.262 171.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 87.6 mt -102.53 -17.63 15.66 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 120.544 0.211 . . . . 20.0 111.367 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.05 -48.73 22.5 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-O 120.524 0.202 . . . . 20.0 111.128 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.4 p -120.06 -1.26 10.4 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 111.935 0.346 . . . . 20.0 111.935 -176.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 79.94 0.65 85.91 Favored Glycine 0 CA--C 1.554 2.523 0 C-N-CA 121.126 -0.559 . . . . 20.0 113.453 172.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -70.14 139.08 52.38 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 117.351 0.576 . . . . 20.0 111.008 -177.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 21.4 m -105.16 144.6 31.73 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 116.321 -0.4 . . . . 20.0 111.094 -177.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -131.47 158.45 40.81 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 116.201 -0.454 . . . . 20.0 111.072 -175.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 5.7 tt -84.86 -26.28 6.82 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 CA-C-N 116.094 -0.503 . . . . 20.0 111.693 -172.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 41.2 p30 -153.82 172.78 16.81 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-O 120.864 0.364 . . . . 20.0 111.283 -178.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -67.82 -35.88 79.4 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.103 -0.499 . . . . 20.0 111.195 -175.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.2 mp0 -61.72 -48.52 80.38 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 116.515 -0.312 . . . . 20.0 111.005 -174.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -68.14 -44.33 76.29 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.633 -0.258 . . . . 20.0 110.868 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -56.81 -50.23 72.98 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 120.679 0.276 . . . . 20.0 111.072 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 36.6 t -58.73 -46.49 87.26 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.604 -0.271 . . . . 20.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 23.0 t -58.41 -41.19 84.39 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.757 0.313 . . . . 20.0 111.105 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -63.32 -50.6 69.37 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.542 -0.299 . . . . 20.0 111.159 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 63.5 mt -64.75 -37.66 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-O 120.534 0.207 . . . . 20.0 110.598 -176.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -64.71 -46.68 81.28 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.681 -0.236 . . . . 20.0 111.163 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 23.7 p -77.48 -33.08 54.64 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 111.711 0.263 . . . . 20.0 111.711 -174.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 69.2 t -95.18 -50.46 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 111.457 0.169 . . . . 20.0 111.457 -173.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 . . . . . 0 CA--C 1.555 1.16 0 CA-C-N 116.656 -0.247 . . . . 20.0 111.658 -172.061 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 111.608 0.225 . . . . 20.0 111.608 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -148.75 164.19 35.11 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 120.95 0.405 . . . . 20.0 111.332 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -139.42 146.05 39.65 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.84 -0.618 . . . . 20.0 110.52 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -103.48 124.57 49.0 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.892 0.377 . . . . 20.0 110.817 -177.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -99.49 151.0 37.28 Favored Pre-proline 0 CA--C 1.556 1.21 0 CA-C-N 116.071 -0.513 . . . . 20.0 110.552 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.5 146.09 65.41 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.793 2.329 . . . . 20.0 113.023 -175.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 43.0 t -85.25 119.37 25.56 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.981 -0.554 . . . . 20.0 110.042 170.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -134.17 -10.57 2.58 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 112.016 0.376 . . . . 20.0 112.016 -171.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 24.7 m -74.14 -19.08 60.69 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 111.597 0.221 . . . . 20.0 111.597 -174.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.3 pp -139.85 167.25 22.55 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 120.769 0.319 . . . . 20.0 110.809 176.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -78.41 113.42 16.39 Favored 'General case' 0 CA--C 1.556 1.207 0 CA-C-N 116.112 -0.495 . . . . 20.0 111.624 -170.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 23.0 pt -144.09 168.58 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 CA-C-N 115.861 -0.608 . . . . 20.0 110.204 173.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -69.25 141.56 54.38 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 110.056 -0.349 . . . . 20.0 110.056 170.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -112.0 91.5 3.68 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.007 0.432 . . . . 20.0 110.669 -173.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -56.22 142.74 36.19 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.83 -0.623 . . . . 20.0 110.993 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -65.51 -15.89 63.13 Favored 'General case' 0 CA--C 1.559 1.294 0 CA-C-N 116.443 -0.344 . . . . 20.0 111.902 -175.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -80.04 -19.04 48.54 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 122.398 -0.189 . . . . 20.0 111.103 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.766 0.317 . . . . 20.0 110.632 169.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 482' ' ' ASP . . . . . 0.426 ' CG ' HH12 ' A' ' 510' ' ' ARG . 10.9 p30 . . . . . 0 CA--C 1.556 1.196 0 CA-C-O 120.609 0.243 . . . . 20.0 111.084 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -160.21 173.82 15.16 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.51 0.324 . . . . 20.0 110.658 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -133.87 153.92 51.41 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.143 -0.48 . . . . 20.0 110.321 169.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -108.21 141.7 39.56 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.072 0.463 . . . . 20.0 110.999 -174.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 17.3 tp -137.04 115.46 11.85 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.719 -0.673 . . . . 20.0 110.321 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 33.2 mt -85.74 121.84 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-O 120.92 0.39 . . . . 20.0 110.542 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 42.3 t -137.0 129.04 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 115.817 -0.629 . . . . 20.0 110.12 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.74 36.13 20.36 Favored 'General case' 0 CA--C 1.565 1.538 0 CA-C-O 120.954 0.406 . . . . 20.0 111.227 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 78.89 5.13 88.79 Favored Glycine 0 CA--C 1.549 2.188 0 CA-C-N 116.375 -0.375 . . . . 20.0 112.862 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -113.19 137.27 51.72 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.511 0.325 . . . . 20.0 110.68 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 81.0 t -79.98 120.33 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 N-CA-C 110.249 -0.278 . . . . 20.0 110.249 174.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -101.88 151.42 22.11 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.218 172.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -116.51 127.22 54.34 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.215 -0.448 . . . . 20.0 109.978 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.3 mt -120.69 131.65 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.02 0.438 . . . . 20.0 111.206 -169.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 11.6 t -68.52 136.52 53.27 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.897 -0.592 . . . . 20.0 110.762 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 16.8 pt -68.62 -40.04 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 116.678 -0.237 . . . . 20.0 111.487 -176.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 49.1 t -60.89 -65.42 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 N-CA-C 111.929 0.344 . . . . 20.0 111.929 -176.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.7 p -105.11 -4.57 21.71 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 112.541 0.571 . . . . 20.0 112.541 -169.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 62.7 mttp 60.77 35.28 19.61 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 122.629 0.372 . . . . 20.0 111.891 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -71.89 129.65 39.11 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 110.003 -0.369 . . . . 20.0 110.003 169.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 30.8 p -95.33 144.98 25.43 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 120.958 0.409 . . . . 20.0 111.179 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -140.23 144.34 36.46 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.854 -0.612 . . . . 20.0 111.128 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 82.1 t -82.04 -17.21 11.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-N 115.946 -0.57 . . . . 20.0 110.84 175.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 59.6 m -135.75 135.15 39.73 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 120.826 0.346 . . . . 20.0 111.186 -177.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.87 -33.26 68.51 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 116.295 -0.411 . . . . 20.0 110.841 175.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 24.0 p -52.62 -45.51 66.63 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 120.707 0.289 . . . . 20.0 110.899 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 18.3 m -66.63 -41.43 88.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.425 -0.352 . . . . 20.0 110.924 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 6.3 tp -62.13 -47.06 86.26 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 116.43 -0.35 . . . . 20.0 111.013 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 510' ' ' ARG . . . . . 0.426 HH12 ' CG ' ' A' ' 482' ' ' ASP . 0.0 OUTLIER -63.63 -46.73 84.34 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 120.642 0.258 . . . . 20.0 110.679 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -56.0 -40.58 73.55 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 116.211 -0.45 . . . . 20.0 110.929 175.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -71.51 -45.15 63.21 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 116.471 -0.331 . . . . 20.0 111.426 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -59.74 -23.41 63.18 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 111.554 0.205 . . . . 20.0 111.554 -173.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.92 -26.4 62.16 Favored 'General case' 0 CA--C 1.562 1.442 0 C-N-CA 122.184 0.194 . . . . 20.0 110.989 175.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 35.1 mt -74.9 -20.15 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 122.482 0.313 . . . . 20.0 111.13 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -95.46 -44.76 7.39 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.641 0.258 . . . . 20.0 110.882 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 91.8 p -71.95 -37.06 70.04 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.437 -0.347 . . . . 20.0 111.324 -176.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 73.5 m95 50.35 31.57 5.47 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 121.195 0.522 . . . . 20.0 110.478 -169.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.3 -31.73 64.2 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.814 -0.63 . . . . 20.0 110.65 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -126.9 113.52 16.65 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.071 -0.513 . . . . 20.0 110.34 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -93.69 151.01 19.94 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 116.284 -0.416 . . . . 20.0 110.926 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -128.22 80.24 72.63 Favored Pre-proline 0 CA--C 1.552 1.039 0 CA-C-N 116.049 -0.523 . . . . 20.0 110.5 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -69.52 141.27 45.76 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.834 2.356 . . . . 20.0 112.395 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 53.4 t -74.98 143.06 43.81 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.278 -0.419 . . . . 20.0 110.608 174.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -76.07 -39.59 55.05 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 120.772 0.32 . . . . 20.0 111.031 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -84.32 -20.88 31.33 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-N 116.033 -0.531 . . . . 20.0 111.979 -169.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.9 p -142.27 163.42 32.9 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 120.791 0.329 . . . . 20.0 110.677 174.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -87.41 28.98 0.9 Allowed 'General case' 0 CA--C 1.562 1.434 0 N-CA-C 112.269 0.47 . . . . 20.0 112.269 -169.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.14 163.67 13.37 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 120.864 0.364 . . . . 20.0 111.103 176.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 21.3 t -128.53 138.44 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 116.025 -0.534 . . . . 20.0 110.851 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -106.44 150.84 40.0 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 116.028 -0.533 . . . . 20.0 110.605 175.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -86.23 -5.68 8.42 Favored 'Trans proline' 0 CA--C 1.55 1.285 0 C-N-CA 122.91 2.407 . . . . 20.0 112.617 176.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.8 mp -132.18 140.92 48.91 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.581 0.352 . . . . 20.0 110.106 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.04 94.24 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 120.634 0.254 . . . . 20.0 111.016 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.0 -39.53 93.58 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 116.667 -0.242 . . . . 20.0 111.052 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -59.71 -39.18 83.77 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 120.447 0.165 . . . . 20.0 110.605 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -50.77 69.56 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.548 -0.296 . . . . 20.0 110.504 173.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 37.7 m -53.61 -51.34 63.36 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 116.629 -0.259 . . . . 20.0 111.055 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -58.24 -38.26 76.53 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 120.578 0.227 . . . . 20.0 111.096 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -70.32 -40.96 73.88 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 120.581 0.229 . . . . 20.0 111.052 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -68.94 -27.93 66.19 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-O 120.556 0.217 . . . . 20.0 110.786 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 14.3 mt -66.01 -30.42 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 116.552 -0.295 . . . . 20.0 110.382 169.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -74.98 -28.65 60.64 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.281 -0.418 . . . . 20.0 111.125 175.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -76.2 -41.76 48.42 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 120.788 0.327 . . . . 20.0 110.908 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 18.6 p -82.21 -16.81 48.32 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 116.221 -0.445 . . . . 20.0 111.433 -176.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 78.94 14.56 81.87 Favored Glycine 0 CA--C 1.544 1.863 0 C-N-CA 121.522 -0.371 . . . . 20.0 112.801 175.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.7 109.82 1.53 Allowed 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.863 0.363 . . . . 20.0 111.0 -177.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -97.07 96.69 8.64 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.297 -0.41 . . . . 20.0 110.519 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 -95.61 -24.34 16.62 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 115.975 -0.557 . . . . 20.0 111.928 -171.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -88.02 93.88 9.62 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.842 0.353 . . . . 20.0 110.471 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -95.39 128.94 42.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.299 -0.41 . . . . 20.0 110.918 -176.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 44.5 t -69.16 146.97 52.01 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.046 -0.525 . . . . 20.0 109.898 170.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 95.6 mt -103.79 -16.58 15.38 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 116.762 -0.199 . . . . 20.0 111.235 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.06 -48.49 23.67 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 116.655 -0.248 . . . . 20.0 111.17 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.9 p -120.01 -3.49 10.14 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 111.97 0.359 . . . . 20.0 111.97 -175.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 82.5 -3.13 83.51 Favored Glycine 0 CA--C 1.556 2.65 0 C-N-CA 121.1 -0.571 . . . . 20.0 113.513 172.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -69.74 139.9 53.39 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 117.379 0.59 . . . . 20.0 111.04 -176.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 19.7 m -104.69 144.71 31.36 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 116.343 -0.389 . . . . 20.0 111.344 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -132.1 161.41 33.35 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.957 -0.565 . . . . 20.0 110.677 -179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -83.83 -24.52 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 N-CA-C 111.989 0.366 . . . . 20.0 111.989 -169.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 34.6 p30 -152.67 173.55 15.09 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 120.978 0.418 . . . . 20.0 111.432 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -65.58 -35.82 81.94 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.972 -0.558 . . . . 20.0 111.131 -176.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -63.05 -44.11 96.74 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 116.393 -0.367 . . . . 20.0 110.91 -174.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -69.33 -47.83 63.27 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.543 -0.299 . . . . 20.0 111.114 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -40.3 95.99 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 120.489 0.185 . . . . 20.0 110.838 -177.132 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 47.1 t -63.32 -46.97 84.19 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.745 -0.207 . . . . 20.0 110.71 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 21.7 t -60.64 -38.0 83.36 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.895 0.379 . . . . 20.0 110.994 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -65.1 -47.59 76.67 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.427 -0.351 . . . . 20.0 110.969 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 73.8 mt -63.98 -44.47 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 120.461 0.172 . . . . 20.0 111.015 -176.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -65.53 -37.14 85.87 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 121.342 -0.143 . . . . 20.0 111.267 -176.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 78.7 p -89.87 -28.52 19.19 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 111.905 0.335 . . . . 20.0 111.905 -171.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 70.6 t -95.46 -48.86 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 CA-C-O 120.548 0.213 . . . . 20.0 111.161 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 . . . . . 0 CA--C 1.552 1.052 0 CA-C-N 116.557 -0.292 . . . . 20.0 111.561 -173.098 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 111.772 0.286 . . . . 20.0 111.772 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -144.68 155.79 43.76 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.043 0.449 . . . . 20.0 111.343 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -132.78 134.29 44.52 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.695 -0.684 . . . . 20.0 110.083 175.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -103.8 111.82 24.5 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 120.941 0.4 . . . . 20.0 110.769 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -85.95 158.17 56.35 Favored Pre-proline 0 CA--C 1.555 1.149 0 CA-C-N 116.125 -0.488 . . . . 20.0 110.969 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -64.9 158.52 50.85 Favored 'Trans proline' 0 CA--C 1.546 1.096 0 C-N-CA 122.376 2.051 . . . . 20.0 112.147 174.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 27.0 t -93.32 126.85 38.66 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 116.31 -0.404 . . . . 20.0 110.382 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -116.36 -18.98 10.34 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 116.571 -0.286 . . . . 20.0 111.525 -176.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 39.4 m -69.48 -23.1 63.59 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 111.6 0.222 . . . . 20.0 111.6 -175.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.2 pp -145.1 163.56 33.93 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 120.767 0.318 . . . . 20.0 110.945 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -83.25 119.47 24.61 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 116.208 -0.451 . . . . 20.0 111.523 -170.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 25.9 pt -144.52 169.44 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-N 115.767 -0.652 . . . . 20.0 110.085 173.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -72.39 137.82 46.79 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 110.09 -0.337 . . . . 20.0 110.09 171.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -112.04 96.22 5.92 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.152 -0.476 . . . . 20.0 110.7 -171.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -65.73 153.35 42.02 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 116.012 -0.54 . . . . 20.0 111.134 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.06 -13.34 62.38 Favored 'General case' 0 CA--C 1.559 1.3 0 CA-C-N 116.024 -0.535 . . . . 20.0 111.966 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -80.37 -24.09 40.01 Favored 'General case' 0 CA--C 1.554 1.105 0 O-C-N 122.387 -0.195 . . . . 20.0 111.114 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.93 0.395 . . . . 20.0 110.201 169.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 25.6 p30 . . . . . 0 CA--C 1.554 1.134 0 CA-C-O 120.711 0.291 . . . . 20.0 111.194 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 483' ' ' HIS . . . . . 0.473 ' HB3' HD21 ' A' ' 509' ' ' LEU . 57.0 p-80 -160.22 176.2 12.02 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 120.866 0.365 . . . . 20.0 111.108 178.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -136.61 158.51 44.27 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.811 -0.631 . . . . 20.0 110.294 169.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -98.57 142.32 30.3 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.91 0.386 . . . . 20.0 110.864 -177.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.2 tp -140.84 111.51 6.94 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.059 -0.519 . . . . 20.0 110.411 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 24.1 mt -81.61 124.61 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 120.884 0.373 . . . . 20.0 110.653 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 44.0 t -138.43 126.61 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 115.859 -0.61 . . . . 20.0 110.235 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 40.2 t0 50.09 40.65 22.12 Favored 'General case' 0 CA--C 1.564 1.484 0 CA-C-O 121.056 0.455 . . . . 20.0 111.2 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.7 -24.24 11.02 Favored Glycine 0 CA--C 1.547 2.081 0 CA-C-N 116.228 -0.442 . . . . 20.0 112.948 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -87.98 140.66 29.27 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 116.908 0.354 . . . . 20.0 111.024 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 59.8 t -83.07 117.81 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 116.378 -0.374 . . . . 20.0 110.064 170.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -95.92 157.17 16.02 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.405 -0.361 . . . . 20.0 110.263 172.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -123.38 125.09 44.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 20.0 110.122 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.1 mt -118.71 128.51 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-O 120.929 0.395 . . . . 20.0 111.152 -170.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 7.1 t -65.84 137.37 57.16 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.098 -0.501 . . . . 20.0 110.888 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 34.0 pt -68.58 -40.04 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 111.681 0.252 . . . . 20.0 111.681 -177.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.82 -64.2 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-O 120.739 0.304 . . . . 20.0 111.796 -175.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.1 p -105.18 -4.94 21.17 Favored 'General case' 0 CA--C 1.557 1.243 0 N-CA-C 112.383 0.512 . . . . 20.0 112.383 -169.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 58.13 40.71 24.83 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 122.643 0.377 . . . . 20.0 111.682 -176.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 63.3 mtt85 -83.86 132.65 34.78 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 116.318 -0.401 . . . . 20.0 110.088 169.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 29.6 p -96.47 146.43 24.8 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 121.035 0.445 . . . . 20.0 111.379 -175.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -138.21 138.41 38.51 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.685 -0.688 . . . . 20.0 110.725 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 79.0 t -76.77 -17.75 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 116.139 -0.482 . . . . 20.0 110.895 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 74.8 m -133.3 135.72 45.03 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.813 0.339 . . . . 20.0 111.032 -178.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 19.9 mt -58.96 -33.7 70.95 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 116.271 -0.422 . . . . 20.0 110.977 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 33.0 p -56.91 -42.1 79.32 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 120.619 0.247 . . . . 20.0 110.973 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 14.5 m -65.57 -39.44 91.66 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.507 -0.315 . . . . 20.0 110.813 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.473 HD21 ' HB3' ' A' ' 483' ' ' HIS . 9.0 tp -63.67 -42.82 98.0 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 116.419 -0.355 . . . . 20.0 110.936 178.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -62.35 -44.31 96.77 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 110.256 -0.276 . . . . 20.0 110.256 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -57.23 -44.27 83.65 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 115.951 -0.568 . . . . 20.0 110.817 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -69.27 -49.39 56.5 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.27 -0.423 . . . . 20.0 111.318 -175.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -61.99 -20.96 64.44 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 116.846 -0.161 . . . . 20.0 111.386 -172.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -21.77 61.67 Favored 'General case' 0 CA--C 1.56 1.333 0 CA-C-O 120.552 0.215 . . . . 20.0 111.177 174.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 30.7 mt -79.15 -20.87 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-O 120.657 0.265 . . . . 20.0 111.024 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -95.04 -37.52 11.08 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.627 0.251 . . . . 20.0 110.939 177.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 88.7 p -83.29 -33.58 25.94 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.451 -0.34 . . . . 20.0 111.458 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 64.7 m95 50.26 40.15 21.65 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 121.261 0.553 . . . . 20.0 110.464 -169.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -64.67 -30.29 71.31 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.805 -0.634 . . . . 20.0 110.907 177.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -136.53 123.56 21.54 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.269 -0.423 . . . . 20.0 110.636 177.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -91.31 145.39 24.69 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.193 -0.458 . . . . 20.0 110.248 171.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -123.97 79.93 57.58 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 116.186 -0.461 . . . . 20.0 110.301 176.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.63 135.75 16.49 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.766 2.311 . . . . 20.0 112.318 -178.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 52.7 t -68.57 148.13 50.96 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.891 -0.595 . . . . 20.0 110.654 176.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -79.56 -38.25 34.55 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 116.396 -0.365 . . . . 20.0 110.861 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -85.77 -20.87 28.59 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 116.373 -0.376 . . . . 20.0 111.867 -170.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 14.6 p -142.58 167.98 20.8 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.848 0.356 . . . . 20.0 110.8 175.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.66 8.57 7.7 Favored 'General case' 0 CA--C 1.564 1.507 0 N-CA-C 112.038 0.384 . . . . 20.0 112.038 -172.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -68.86 137.72 54.13 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 120.684 0.278 . . . . 20.0 111.125 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 13.2 t -115.75 138.07 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 116.162 -0.472 . . . . 20.0 110.695 173.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -111.08 152.49 43.74 Favored Pre-proline 0 CA--C 1.541 0.617 0 CA-C-N 116.004 -0.544 . . . . 20.0 110.629 175.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -86.48 -1.57 8.37 Favored 'Trans proline' 0 CA--C 1.559 1.725 0 C-N-CA 123.015 2.476 . . . . 20.0 112.504 172.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 7.4 mp -131.67 143.18 50.1 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.696 0.399 . . . . 20.0 110.168 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -71.41 -43.66 66.37 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 120.612 0.244 . . . . 20.0 111.165 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -59.48 -35.87 74.94 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 120.628 0.252 . . . . 20.0 110.889 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -64.13 -37.85 88.96 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.543 -0.299 . . . . 20.0 110.888 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 537' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -58.17 -49.5 76.81 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.009 0.433 . . . . 20.0 110.241 174.401 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 538' ' ' THR . . . . . 0.466 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 90.8 m -61.9 -56.86 14.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.816 -0.629 . . . . 20.0 111.06 -175.099 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -59.5 -35.04 73.38 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.705 -0.225 . . . . 20.0 111.119 -177.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -67.79 -46.16 72.75 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-O 120.68 0.276 . . . . 20.0 111.004 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -68.72 -27.38 65.88 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.725 -0.216 . . . . 20.0 111.19 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 21.4 mt -63.96 -32.32 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-O 120.554 0.216 . . . . 20.0 110.523 170.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 543' ' ' HIS . . . . . 0.421 ' HA ' HD11 ' A' ' 560' ' ' ILE . 5.2 t-160 -76.98 -28.61 55.17 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 116.538 -0.301 . . . . 20.0 111.082 177.31 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -72.27 -42.02 66.04 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 120.677 0.275 . . . . 20.0 110.899 174.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 28.7 p -85.36 -14.15 47.29 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 116.493 -0.322 . . . . 20.0 111.638 -174.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 74.14 14.89 80.19 Favored Glycine 0 CA--C 1.543 1.828 0 C-N-CA 121.407 -0.425 . . . . 20.0 112.518 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.62 115.81 3.01 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 120.888 0.375 . . . . 20.0 111.082 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 60.9 mmt-85 -72.55 144.66 47.85 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 116.241 -0.436 . . . . 20.0 110.416 176.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 58.9 ttt85 -134.83 -60.83 0.77 Allowed 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 116.049 -0.523 . . . . 20.0 111.187 -171.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -89.61 108.38 19.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.366 . . . . 20.0 110.664 -176.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -92.54 120.02 32.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 20.0 110.592 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 41.8 t -65.43 146.56 54.73 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 110.053 -0.351 . . . . 20.0 110.053 172.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 94.5 mt -108.42 -18.95 13.62 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.531 -0.304 . . . . 20.0 111.288 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.14 -50.09 17.43 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.666 -0.243 . . . . 20.0 111.305 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 29.2 p -120.08 0.91 10.83 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 112.032 0.382 . . . . 20.0 112.032 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 80.03 3.58 89.49 Favored Glycine 0 CA--C 1.556 2.646 0 C-N-CA 120.9 -0.667 . . . . 20.0 113.616 171.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -73.81 137.85 44.11 Favored 'General case' 0 N--CA 1.488 1.425 0 CA-C-N 117.553 0.677 . . . . 20.0 110.994 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 4.5 m -100.8 140.99 34.3 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 116.232 -0.44 . . . . 20.0 110.974 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -124.27 153.91 41.01 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 120.96 0.409 . . . . 20.0 111.048 -177.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 560' ' ' ILE . . . . . 0.421 HD11 ' HA ' ' A' ' 543' ' ' HIS . 8.8 tt -85.8 -29.61 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 116.041 -0.527 . . . . 20.0 111.627 -172.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -147.32 168.94 20.51 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 120.975 0.417 . . . . 20.0 111.012 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -67.78 -34.74 77.37 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.044 -0.525 . . . . 20.0 111.164 -172.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -63.48 -44.0 95.69 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 116.424 -0.353 . . . . 20.0 110.894 -175.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -67.6 -47.19 70.42 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.407 -0.36 . . . . 20.0 110.679 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 4.6 ttp -55.27 -47.32 75.65 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 120.713 0.292 . . . . 20.0 110.962 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 25.3 t -61.92 -47.82 83.19 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.394 -0.366 . . . . 20.0 110.808 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 29.9 t -58.25 -42.55 86.63 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.464 -0.335 . . . . 20.0 110.994 177.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -62.63 -51.27 67.92 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.332 -0.395 . . . . 20.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.05 -38.17 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-O 120.572 0.225 . . . . 20.0 110.749 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -68.87 -42.62 76.77 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.723 -0.217 . . . . 20.0 111.265 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 50.0 p -81.2 -33.03 33.24 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 111.892 0.33 . . . . 20.0 111.892 -174.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 70.7 t -95.01 -47.17 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 CA-C-O 120.416 0.151 . . . . 20.0 111.397 -172.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 . . . . . 0 CA--C 1.55 0.969 0 CA-C-N 116.662 -0.245 . . . . 20.0 111.411 -174.08 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 N--CA 1.484 1.252 0 CA-C-O 120.524 0.202 . . . . 20.0 111.499 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -147.28 162.93 37.94 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 120.952 0.406 . . . . 20.0 111.264 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -132.08 139.24 48.44 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.951 -0.568 . . . . 20.0 110.469 177.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.28 128.87 36.53 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 116.335 -0.393 . . . . 20.0 110.849 -175.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -112.65 154.09 44.82 Favored Pre-proline 0 N--CA 1.487 1.377 0 CA-C-N 116.552 -0.295 . . . . 20.0 110.985 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -70.77 156.67 60.27 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.672 2.248 . . . . 20.0 112.859 -174.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 41.5 t -98.62 128.33 44.88 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 116.006 -0.543 . . . . 20.0 110.411 172.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -128.36 -16.46 4.41 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 116.353 -0.385 . . . . 20.0 111.662 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 96.3 p -62.33 -27.53 69.12 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 111.578 0.214 . . . . 20.0 111.578 -177.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.8 pp -137.72 163.41 31.38 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 120.889 0.376 . . . . 20.0 110.879 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -86.73 109.72 19.41 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 116.135 -0.484 . . . . 20.0 111.247 -171.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 26.7 pt -143.91 168.13 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 115.917 -0.583 . . . . 20.0 110.278 171.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -72.45 142.11 48.61 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.972 -0.381 . . . . 20.0 109.972 170.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -127.4 116.84 21.09 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.081 0.467 . . . . 20.0 110.743 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -67.53 158.28 32.34 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.65 -0.705 . . . . 20.0 111.176 -178.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.42 -9.99 56.02 Favored 'General case' 0 CA--C 1.56 1.333 0 CA-C-N 116.349 -0.387 . . . . 20.0 111.879 -176.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -77.19 -21.69 53.55 Favored 'General case' 0 CA--C 1.554 1.123 0 O-C-N 122.304 -0.248 . . . . 20.0 110.856 174.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 109.846 -0.427 . . . . 20.0 109.846 169.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 3.1 p30 . . . . . 0 CA--C 1.554 1.12 0 CA-C-O 120.836 0.351 . . . . 20.0 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 483' ' ' HIS . . . . . 0.474 ' HB3' HD21 ' A' ' 509' ' ' LEU . 56.7 p-80 -160.7 177.59 10.31 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.287 -0.415 . . . . 20.0 110.534 178.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -136.5 158.02 45.41 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.031 -0.531 . . . . 20.0 110.012 169.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -103.52 140.2 37.83 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.923 0.392 . . . . 20.0 110.954 -176.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.3 tp -138.09 115.23 10.95 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.895 -0.593 . . . . 20.0 110.308 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 30.3 mt -85.79 123.06 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-O 120.995 0.426 . . . . 20.0 110.526 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 45.5 t -137.27 129.29 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 115.765 -0.652 . . . . 20.0 110.068 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.92 34.91 17.81 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-O 121.056 0.455 . . . . 20.0 111.344 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.33 3.19 88.48 Favored Glycine 0 CA--C 1.55 2.238 0 CA-C-N 116.307 -0.406 . . . . 20.0 112.881 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -109.59 135.77 50.03 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.519 0.328 . . . . 20.0 110.591 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 97.8 t -80.03 119.22 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-O 120.727 0.299 . . . . 20.0 110.313 174.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -102.57 153.65 19.89 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.287 -0.415 . . . . 20.0 110.213 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -118.68 127.1 53.25 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.118 -0.492 . . . . 20.0 109.968 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 5.3 mt -121.08 128.83 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 120.803 0.335 . . . . 20.0 111.019 -170.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 8.4 t -65.7 137.09 57.07 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.206 -0.452 . . . . 20.0 110.585 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 22.1 pt -68.62 -39.77 80.87 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 CA-C-N 116.676 -0.238 . . . . 20.0 111.559 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 47.7 t -60.92 -63.95 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 111.935 0.346 . . . . 20.0 111.935 -176.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.5 p -105.11 -5.28 20.96 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 112.457 0.539 . . . . 20.0 112.457 -169.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 58.06 35.89 25.56 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 122.572 0.349 . . . . 20.0 111.883 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -76.67 132.78 39.56 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 109.874 -0.417 . . . . 20.0 109.874 169.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 24.6 p -95.28 143.16 26.9 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.034 0.445 . . . . 20.0 111.26 -175.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -135.4 138.69 43.53 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.647 -0.706 . . . . 20.0 110.964 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 53.5 t -77.71 -18.33 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 115.989 -0.551 . . . . 20.0 110.866 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 84.3 m -127.45 161.0 29.75 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 120.976 0.417 . . . . 20.0 110.804 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 20.3 mt -82.42 -34.96 28.05 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.229 -0.441 . . . . 20.0 110.499 172.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 24.4 p -55.01 -45.18 75.08 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 116.551 -0.295 . . . . 20.0 111.241 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 4.9 p -66.6 -35.73 80.89 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 116.54 -0.3 . . . . 20.0 111.078 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.474 HD21 ' HB3' ' A' ' 483' ' ' HIS . 5.0 tp -64.68 -45.66 85.74 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 116.627 -0.261 . . . . 20.0 110.977 177.144 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -60.44 -49.04 79.15 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 120.627 0.251 . . . . 20.0 110.369 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -50.58 -47.08 58.07 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 116.038 -0.528 . . . . 20.0 110.628 173.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -68.26 -44.17 76.2 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.211 -0.45 . . . . 20.0 111.413 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -58.84 -26.53 64.27 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-O 120.545 0.212 . . . . 20.0 111.266 -173.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -23.94 63.36 Favored 'General case' 0 CA--C 1.561 1.376 0 CA-C-N 116.705 -0.225 . . . . 20.0 111.306 176.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 39.3 mt -75.42 -21.21 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 C-N-CA 122.414 0.286 . . . . 20.0 111.035 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -93.74 -41.87 9.45 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.684 0.278 . . . . 20.0 110.929 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 89.7 p -75.86 -36.29 59.63 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.519 -0.309 . . . . 20.0 111.297 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 58.5 m95 50.21 30.84 4.61 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-O 121.168 0.509 . . . . 20.0 110.37 -169.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -67.18 -31.3 71.61 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.874 -0.603 . . . . 20.0 110.715 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -131.35 121.31 24.45 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.202 -0.454 . . . . 20.0 110.512 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -94.24 149.28 21.38 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.138 -0.483 . . . . 20.0 110.812 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -121.01 80.0 34.02 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 116.034 -0.53 . . . . 20.0 110.326 173.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.32 142.59 30.36 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.745 2.296 . . . . 20.0 112.404 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 33.6 t -74.63 141.36 44.66 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.932 -0.576 . . . . 20.0 110.753 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -75.54 -38.16 59.51 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 116.446 -0.343 . . . . 20.0 110.735 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -85.23 -22.12 28.8 Favored 'General case' 0 CA--C 1.56 1.351 0 CA-C-N 115.904 -0.589 . . . . 20.0 111.959 -169.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 9.4 p -145.02 169.83 17.33 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 120.841 0.353 . . . . 20.0 110.895 175.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.75 6.65 10.32 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 112.166 0.432 . . . . 20.0 112.166 -170.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -68.94 151.56 46.39 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 120.816 0.341 . . . . 20.0 111.038 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 17.2 t -129.94 140.14 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 CA-C-N 116.137 -0.483 . . . . 20.0 110.829 175.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -114.74 150.85 44.71 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 116.041 -0.527 . . . . 20.0 110.837 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -85.1 -4.27 9.61 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 C-N-CA 122.952 2.435 . . . . 20.0 112.799 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.4 mp -132.52 144.09 50.19 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.566 0.347 . . . . 20.0 110.39 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.44 91.14 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 116.341 -0.39 . . . . 20.0 111.09 175.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -63.48 -48.53 77.29 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 120.777 0.322 . . . . 20.0 110.916 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -61.73 -34.7 76.27 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.243 -0.435 . . . . 20.0 110.501 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 537' ' ' ARG . . . . . 0.471 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -57.93 -63.02 1.4 Allowed 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.287 -0.415 . . . . 20.0 110.063 169.769 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 538' ' ' THR . . . . . 0.471 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 63.6 m -50.24 -50.33 50.25 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.045 -0.525 . . . . 20.0 111.123 -174.069 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -62.47 -36.75 83.45 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.566 -0.288 . . . . 20.0 111.075 -177.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -70.56 -41.1 72.88 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 120.554 0.216 . . . . 20.0 111.122 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.97 -41.38 87.4 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 120.722 0.296 . . . . 20.0 110.413 175.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 61.3 mt -62.94 -31.51 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 116.471 -0.331 . . . . 20.0 110.84 176.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 543' ' ' HIS . . . . . 0.537 ' HA ' HD11 ' A' ' 560' ' ' ILE . 4.3 t-80 -68.8 -26.41 65.18 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.636 -0.256 . . . . 20.0 110.665 177.246 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -82.13 -38.35 24.88 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 116.844 -0.162 . . . . 20.0 111.185 176.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 62.6 p -74.48 -36.22 63.27 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 120.672 0.273 . . . . 20.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 85.77 16.1 64.25 Favored Glycine 0 CA--C 1.541 1.692 0 C-N-CA 121.567 -0.349 . . . . 20.0 112.593 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.4 120.7 8.66 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 120.866 0.365 . . . . 20.0 111.449 -175.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -82.34 79.98 8.66 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.032 0.444 . . . . 20.0 110.432 174.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -86.73 -28.46 23.05 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 115.975 -0.557 . . . . 20.0 111.535 -174.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -99.01 110.14 22.79 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.156 0.182 . . . . 20.0 110.732 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -107.27 130.41 54.76 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.885 0.374 . . . . 20.0 110.968 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 49.2 t -69.62 147.79 50.21 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.033 -0.53 . . . . 20.0 110.136 170.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 80.9 mt -104.89 -17.01 14.7 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 116.734 -0.212 . . . . 20.0 111.436 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.23 -49.69 18.56 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 116.74 -0.209 . . . . 20.0 111.066 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 32.0 p -120.04 -2.36 10.25 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 111.952 0.353 . . . . 20.0 111.952 -176.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 81.25 -4.3 72.72 Favored Glycine 0 CA--C 1.555 2.581 0 C-N-CA 121.165 -0.541 . . . . 20.0 113.388 173.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -71.38 140.1 50.03 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 117.316 0.558 . . . . 20.0 110.833 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 50.4 m -111.91 154.6 24.96 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 121.009 0.433 . . . . 20.0 111.617 -175.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -135.67 166.46 23.2 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.717 -0.674 . . . . 20.0 110.717 -176.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 560' ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' ' 543' ' ' HIS . 12.5 tt -88.54 -23.19 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 CA-C-N 116.154 -0.475 . . . . 20.0 111.867 -171.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -151.31 170.18 20.14 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-O 121.022 0.439 . . . . 20.0 111.288 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -66.79 -34.31 77.55 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.896 -0.593 . . . . 20.0 111.353 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 28.7 mp0 -64.25 -48.64 75.02 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 116.678 -0.237 . . . . 20.0 110.95 -175.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -64.17 -42.77 96.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.632 -0.258 . . . . 20.0 110.729 176.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 37.8 ttp -58.79 -50.78 72.69 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.447 -0.342 . . . . 20.0 111.053 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 24.8 t -61.46 -43.79 98.25 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.609 0.242 . . . . 20.0 110.789 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 22.7 t -58.76 -42.51 89.07 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.45 -0.341 . . . . 20.0 110.906 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -63.56 -47.55 81.1 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 116.499 -0.319 . . . . 20.0 111.144 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.06 -41.38 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-O 120.635 0.255 . . . . 20.0 110.504 -178.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -65.66 -44.99 84.65 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.564 -0.289 . . . . 20.0 110.914 178.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 41.6 m -74.65 -37.17 62.81 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 111.834 0.309 . . . . 20.0 111.834 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 76.9 t -97.0 -46.85 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 CA-C-O 120.548 0.213 . . . . 20.0 111.497 -171.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 . . . . . 0 CA--C 1.549 0.93 0 CA-C-N 116.558 -0.292 . . . . 20.0 111.509 -174.111 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 120.596 0.236 . . . . 20.0 111.223 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -147.04 162.47 38.73 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 120.994 0.426 . . . . 20.0 111.36 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -136.32 139.3 42.5 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.781 -0.645 . . . . 20.0 110.336 173.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -99.04 120.29 39.21 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.25 -0.432 . . . . 20.0 110.376 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -94.52 157.6 36.93 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-N 116.266 -0.425 . . . . 20.0 110.847 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.3 143.09 99.85 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.642 2.228 . . . . 20.0 112.428 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 47.0 t -87.42 120.4 28.67 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.175 -0.466 . . . . 20.0 110.402 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -129.82 -13.56 4.14 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 116.362 -0.381 . . . . 20.0 111.981 -173.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 57.1 p -69.49 -22.98 63.57 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 111.568 0.21 . . . . 20.0 111.568 -176.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.5 pp -144.69 172.21 13.31 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-O 120.928 0.394 . . . . 20.0 111.021 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -89.43 107.26 18.97 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 116.143 -0.48 . . . . 20.0 111.621 -170.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 29.6 pt -146.31 169.67 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 CA-C-N 115.801 -0.636 . . . . 20.0 109.753 169.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -75.38 143.53 42.75 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 110.072 -0.344 . . . . 20.0 110.072 173.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -125.71 115.58 20.31 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.013 0.435 . . . . 20.0 110.622 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -59.25 151.55 22.9 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.668 -0.696 . . . . 20.0 110.985 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.7 -10.08 42.96 Favored 'General case' 0 CA--C 1.558 1.26 0 N-CA-C 112.029 0.381 . . . . 20.0 112.029 -175.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -80.12 -15.0 58.05 Favored 'General case' 0 CA--C 1.557 1.238 0 O-C-N 122.365 -0.21 . . . . 20.0 111.083 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 120.909 0.385 . . . . 20.0 110.2 169.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 47.7 p-10 . . . . . 0 CA--C 1.551 0.995 0 CA-C-O 120.69 0.281 . . . . 20.0 111.145 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 483' ' ' HIS . . . . . 0.489 ' HB3' HD21 ' A' ' 509' ' ' LEU . 51.8 p-80 -160.98 176.9 10.9 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.999 0.428 . . . . 20.0 111.276 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -134.49 153.82 51.74 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.502 -0.772 . . . . 20.0 109.659 169.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -102.52 130.74 49.44 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.072 0.463 . . . . 20.0 110.909 -173.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 12.7 tp -131.16 117.28 18.83 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.695 -0.684 . . . . 20.0 110.362 -175.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 21.1 mt -86.96 122.68 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 120.924 0.392 . . . . 20.0 110.514 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 45.9 t -134.57 125.38 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 115.93 -0.577 . . . . 20.0 110.201 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 37.6 t0 50.55 40.12 22.77 Favored 'General case' 0 CA--C 1.564 1.495 0 CA-C-O 121.041 0.448 . . . . 20.0 111.08 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 86.96 -21.51 19.38 Favored Glycine 0 CA--C 1.549 2.213 0 CA-C-N 116.188 -0.46 . . . . 20.0 112.938 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 56.0 mtt85 -88.96 136.44 33.01 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.895 0.347 . . . . 20.0 111.032 -177.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 95.9 t -80.06 122.64 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 116.474 -0.33 . . . . 20.0 110.17 171.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -105.36 153.03 22.21 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.266 -0.425 . . . . 20.0 110.275 173.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -117.97 118.89 33.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 20.0 110.064 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.7 mt -112.08 124.35 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 116.453 -0.34 . . . . 20.0 110.837 -171.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.4 t -63.48 137.87 58.3 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.268 -0.424 . . . . 20.0 110.566 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 31.0 pt -69.81 -39.21 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 116.636 -0.256 . . . . 20.0 111.613 -176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.03 -64.68 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 111.775 0.287 . . . . 20.0 111.775 -176.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 26.7 p -105.07 -4.77 21.54 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 112.383 0.512 . . . . 20.0 112.383 -169.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt 57.89 41.3 24.88 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 122.556 0.343 . . . . 20.0 111.785 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -82.3 131.61 35.23 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 116.354 -0.385 . . . . 20.0 110.003 169.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 39.6 p -93.74 131.75 38.79 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.501 -0.318 . . . . 20.0 111.111 -176.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -123.13 140.59 52.86 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.024 -0.534 . . . . 20.0 111.001 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 74.2 t -79.01 -19.53 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-N 116.068 -0.514 . . . . 20.0 110.946 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 71.3 m -132.75 136.82 46.59 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.731 0.3 . . . . 20.0 111.0 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 18.1 mt -59.02 -36.33 74.78 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.294 -0.412 . . . . 20.0 110.729 176.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 18.2 p -51.49 -41.9 61.27 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 120.584 0.23 . . . . 20.0 111.016 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 17.1 m -67.47 -41.81 83.99 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.488 -0.323 . . . . 20.0 110.973 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 483' ' ' HIS . 5.7 tp -61.58 -50.02 74.29 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.484 -0.325 . . . . 20.0 111.014 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -62.73 -45.47 92.59 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 120.752 0.31 . . . . 20.0 110.536 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -58.95 -40.93 86.19 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.865 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -69.24 -44.69 71.48 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 116.255 -0.429 . . . . 20.0 111.283 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.36 -23.6 64.41 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 111.44 0.163 . . . . 20.0 111.44 -173.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -22.06 61.58 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-O 120.499 0.19 . . . . 20.0 111.107 175.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 36.6 mt -77.98 -21.1 13.63 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 C-N-CA 122.411 0.284 . . . . 20.0 111.037 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -95.07 -41.49 9.1 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.657 0.265 . . . . 20.0 110.904 177.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 91.6 p -81.84 -33.29 30.75 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.406 -0.361 . . . . 20.0 111.389 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 52.7 m95 51.13 37.96 19.59 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 121.255 0.55 . . . . 20.0 110.666 -170.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -64.41 -32.2 73.73 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.846 -0.616 . . . . 20.0 111.031 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -131.84 122.39 25.65 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.37 -0.377 . . . . 20.0 110.492 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -92.78 144.27 25.46 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.227 -0.442 . . . . 20.0 110.584 175.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 522' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 534' ' ' ALA . 90.2 m-85 -122.42 80.53 46.11 Favored Pre-proline 0 CA--C 1.545 0.755 0 CA-C-N 116.229 -0.441 . . . . 20.0 110.412 176.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.79 143.98 27.23 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.772 2.315 . . . . 20.0 112.588 -176.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 51.0 t -79.63 143.4 34.72 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.953 -0.567 . . . . 20.0 110.65 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -77.64 -37.23 50.48 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-O 120.849 0.357 . . . . 20.0 110.839 176.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -83.16 -24.06 32.67 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 115.893 -0.594 . . . . 20.0 111.795 -169.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.1 p -145.02 172.91 12.39 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-O 120.824 0.345 . . . . 20.0 110.767 175.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -82.87 9.99 8.75 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 112.22 0.452 . . . . 20.0 112.22 -169.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -70.31 149.9 46.9 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 120.87 0.366 . . . . 20.0 111.328 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 16.1 t -128.62 134.79 63.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 115.7 -0.682 . . . . 20.0 110.298 169.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -113.52 153.07 45.83 Favored Pre-proline 0 CA--C 1.543 0.711 0 CA-C-N 116.233 -0.439 . . . . 20.0 110.686 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -83.4 -5.07 11.0 Favored 'Trans proline' 0 CA--C 1.552 1.387 0 C-N-CA 122.934 2.423 . . . . 20.0 112.926 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.5 mp -131.51 142.56 49.98 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.549 0.34 . . . . 20.0 110.289 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 534' ' ' ALA . . . . . 0.414 ' HB2' ' CE1' ' A' ' 522' ' ' TYR . . . -64.76 -43.54 92.99 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.623 0.249 . . . . 20.0 111.037 178.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -62.78 -38.21 89.72 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.548 -0.296 . . . . 20.0 110.92 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -61.74 -39.41 91.5 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.799 -0.182 . . . . 20.0 110.777 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -62.03 -52.09 65.35 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.586 -0.279 . . . . 20.0 110.439 173.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 37.3 m -55.63 -52.09 64.99 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.603 -0.271 . . . . 20.0 111.248 -177.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -61.74 -39.04 90.18 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-O 120.451 0.167 . . . . 20.0 111.107 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -62.88 -44.99 94.64 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 120.768 0.318 . . . . 20.0 110.698 176.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -68.21 -26.3 65.64 Favored 'General case' 0 CA--C 1.554 1.13 0 O-C-N 122.293 -0.255 . . . . 20.0 111.007 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 3.6 mt -64.97 -30.56 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-O 120.543 0.211 . . . . 20.0 110.655 171.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -71.63 -28.08 63.54 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 116.717 -0.22 . . . . 20.0 110.864 174.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -77.0 -41.82 41.24 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-O 120.5 0.191 . . . . 20.0 110.982 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 58.4 p -79.06 -19.78 50.48 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 116.805 -0.179 . . . . 20.0 111.345 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 78.56 17.15 78.16 Favored Glycine 0 CA--C 1.544 1.893 0 C-N-CA 121.506 -0.378 . . . . 20.0 112.664 177.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -60.37 109.43 1.0 Allowed 'General case' 0 CA--C 1.553 1.091 0 CA-C-O 120.902 0.382 . . . . 20.0 111.133 -176.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -91.86 90.51 7.5 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.074 0.464 . . . . 20.0 110.234 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 11.6 mtp85 -83.91 -31.87 25.44 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 115.561 -0.745 . . . . 20.0 111.888 -169.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -91.79 98.97 11.94 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.515 -0.311 . . . . 20.0 110.858 -169.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -90.21 123.23 33.85 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 120.872 0.368 . . . . 20.0 110.948 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 34.0 t -79.42 100.07 7.48 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.157 -0.474 . . . . 20.0 110.585 176.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.64 -14.82 34.29 Favored 'General case' 0 CA--C 1.558 1.272 0 N-CA-C 111.995 0.369 . . . . 20.0 111.995 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.04 -50.06 17.73 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-O 120.438 0.161 . . . . 20.0 111.297 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 28.7 p -120.08 -5.24 10.02 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 111.87 0.322 . . . . 20.0 111.87 -175.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 91.69 -6.85 79.96 Favored Glycine 0 CA--C 1.551 2.336 0 C-N-CA 121.543 -0.361 . . . . 20.0 113.339 174.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -76.32 134.69 39.66 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 117.303 0.551 . . . . 20.0 111.032 -175.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 61.6 m -105.51 148.62 27.02 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 116.478 -0.328 . . . . 20.0 110.994 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -128.61 158.58 38.1 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.323 -0.399 . . . . 20.0 111.109 -177.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.9 tt -77.07 -24.87 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 CA-C-N 116.195 -0.457 . . . . 20.0 111.696 -173.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 48.4 p30 -152.1 169.97 21.09 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 121.027 0.442 . . . . 20.0 111.114 -175.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -64.67 -36.87 85.68 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.871 -0.604 . . . . 20.0 111.165 -177.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -59.66 -47.04 87.2 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.545 -0.298 . . . . 20.0 111.123 -174.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -67.44 -45.21 76.69 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.652 -0.249 . . . . 20.0 110.806 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 14.5 ttp -57.32 -48.43 78.97 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 120.759 0.314 . . . . 20.0 111.008 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 35.0 t -63.9 -48.44 76.61 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.409 -0.36 . . . . 20.0 110.981 -177.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 25.9 t -57.29 -41.53 79.97 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.508 -0.315 . . . . 20.0 110.813 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -64.79 -49.19 71.67 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.364 -0.38 . . . . 20.0 111.304 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 83.3 mt -63.23 -39.99 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-O 120.609 0.242 . . . . 20.0 110.653 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -68.19 -40.22 82.27 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.649 -0.25 . . . . 20.0 111.198 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 36.6 m -82.18 -34.85 28.85 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 111.75 0.278 . . . . 20.0 111.75 -173.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 74.5 t -97.98 -45.23 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 CA-C-N 116.817 -0.174 . . . . 20.0 111.377 -171.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 . . . . . 0 CA--C 1.552 1.028 0 CA-C-N 116.707 -0.224 . . . . 20.0 111.257 -175.139 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 N--CA 1.484 1.252 0 N-CA-C 111.617 0.228 . . . . 20.0 111.617 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -141.56 153.22 44.7 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.037 0.446 . . . . 20.0 111.264 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -126.15 128.4 47.23 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.726 -0.67 . . . . 20.0 110.044 173.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -101.43 109.49 21.33 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.909 0.385 . . . . 20.0 110.643 -177.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -88.07 151.84 49.85 Favored Pre-proline 0 CA--C 1.553 1.06 0 CA-C-N 116.02 -0.536 . . . . 20.0 110.812 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -61.3 162.28 20.71 Favored 'Trans proline' 0 CA--C 1.547 1.143 0 C-N-CA 122.579 2.186 . . . . 20.0 112.38 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 35.5 t -92.63 127.74 38.23 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.206 -0.452 . . . . 20.0 110.332 173.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -121.25 -18.27 7.43 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 116.591 -0.277 . . . . 20.0 111.575 -175.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 20.7 p -70.45 -19.99 62.92 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 116.667 -0.242 . . . . 20.0 111.587 -177.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.1 pp -142.12 162.5 35.32 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 120.749 0.309 . . . . 20.0 110.811 176.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -82.68 119.49 24.36 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 121.021 0.438 . . . . 20.0 111.523 -170.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 22.3 pt -143.35 168.61 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 CA-C-N 115.743 -0.662 . . . . 20.0 110.222 173.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -69.93 137.25 51.39 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 109.98 -0.378 . . . . 20.0 109.98 170.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -110.63 93.43 4.48 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.593 -172.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -57.95 146.55 31.97 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.957 -0.565 . . . . 20.0 110.857 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.71 -14.88 63.07 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 116.276 -0.42 . . . . 20.0 111.935 -175.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -80.06 -22.36 42.39 Favored 'General case' 0 CA--C 1.552 1.057 0 O-C-N 122.492 -0.13 . . . . 20.0 111.053 177.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.832 0.349 . . . . 20.0 110.324 169.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 37.3 p30 . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 120.685 0.279 . . . . 20.0 111.36 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 483' ' ' HIS . . . . . 0.537 ' HB3' HD21 ' A' ' 509' ' ' LEU . 55.2 p-80 -161.31 177.24 10.35 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.981 0.419 . . . . 20.0 111.284 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -135.65 157.24 47.37 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.585 -0.734 . . . . 20.0 109.64 169.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -102.3 134.49 45.5 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.992 0.425 . . . . 20.0 110.965 -174.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 13.2 tp -135.37 118.0 15.97 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.838 -0.619 . . . . 20.0 110.238 -177.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 23.9 mt -87.63 123.46 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-O 120.941 0.4 . . . . 20.0 110.583 -178.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 38.2 t -137.8 129.08 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.787 -0.642 . . . . 20.0 110.116 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.45 37.22 22.18 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-O 120.874 0.368 . . . . 20.0 111.177 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.33 2.42 87.5 Favored Glycine 0 CA--C 1.55 2.248 0 C-N-CA 121.518 -0.372 . . . . 20.0 112.908 177.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -111.61 137.38 49.55 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.476 0.31 . . . . 20.0 110.656 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 89.7 t -80.21 119.15 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 116.56 -0.291 . . . . 20.0 110.284 174.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -101.42 150.97 22.49 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.204 -0.453 . . . . 20.0 110.305 172.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -116.38 122.34 44.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 20.0 109.985 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.8 mt -116.3 126.79 73.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-O 120.833 0.349 . . . . 20.0 110.965 -171.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 8.5 t -63.21 136.12 57.53 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 116.204 -0.453 . . . . 20.0 110.614 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 21.1 pt -68.42 -40.31 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 CA-C-N 116.58 -0.282 . . . . 20.0 111.598 -176.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 47.4 t -60.93 -64.71 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 111.955 0.354 . . . . 20.0 111.955 -176.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 27.7 p -105.19 -4.32 21.9 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 112.487 0.551 . . . . 20.0 112.487 -169.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 59.7 35.54 22.3 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 122.619 0.367 . . . . 20.0 111.954 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -76.84 129.85 36.81 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 109.873 -0.418 . . . . 20.0 109.873 169.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 36.4 p -93.28 145.96 24.06 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.955 0.407 . . . . 20.0 111.233 -175.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -138.48 141.81 39.43 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.867 -0.606 . . . . 20.0 111.016 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 55.0 t -79.0 -19.69 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 116.04 -0.527 . . . . 20.0 110.825 175.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 86.2 m -125.64 164.32 20.84 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 120.972 0.415 . . . . 20.0 110.865 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 20.7 mt -86.95 -33.56 19.63 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.103 -0.499 . . . . 20.0 110.657 173.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 24.8 p -58.33 -43.55 88.27 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 116.676 -0.238 . . . . 20.0 111.236 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 5.7 p -66.22 -37.67 86.09 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 116.529 -0.305 . . . . 20.0 111.03 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 483' ' ' HIS . 3.3 tp -64.35 -47.37 79.57 Favored 'General case' 0 CA--C 1.552 1.058 0 CA-C-N 116.618 -0.265 . . . . 20.0 111.06 177.454 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 7.4 mmm-85 -59.79 -46.98 87.51 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 120.872 0.368 . . . . 20.0 110.312 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -53.39 -48.62 68.48 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.878 -0.601 . . . . 20.0 110.746 174.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -63.99 -42.82 97.08 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-N 116.282 -0.417 . . . . 20.0 111.279 -176.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.25 -24.52 64.95 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 111.545 0.202 . . . . 20.0 111.545 -175.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -20.11 62.87 Favored 'General case' 0 CA--C 1.561 1.369 0 CA-C-O 120.515 0.198 . . . . 20.0 111.151 176.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 33.5 mt -79.49 -20.01 12.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 CA-C-O 120.638 0.256 . . . . 20.0 110.905 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -94.46 -40.8 9.71 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.62 0.248 . . . . 20.0 110.932 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 87.3 p -83.11 -32.66 26.6 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.423 -0.353 . . . . 20.0 111.363 -176.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 52.1 m95 49.22 37.5 11.31 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 121.169 0.509 . . . . 20.0 110.685 -171.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.21 -30.94 71.5 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.77 -0.65 . . . . 20.0 111.194 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -128.43 131.31 48.43 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.389 -0.369 . . . . 20.0 110.463 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -95.01 142.84 27.03 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.172 -0.467 . . . . 20.0 110.531 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 522' ' ' TYR . . . . . 0.4 ' CE1' ' HB2' ' A' ' 534' ' ' ALA . 92.2 m-85 -123.07 79.73 51.43 Favored Pre-proline 0 CA--C 1.543 0.706 0 CA-C-N 116.22 -0.446 . . . . 20.0 110.265 172.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.94 142.2 17.29 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.808 2.339 . . . . 20.0 112.586 -177.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 41.0 t -77.51 145.35 37.04 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.905 -0.589 . . . . 20.0 110.37 173.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -85.08 -29.31 25.0 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 120.699 0.285 . . . . 20.0 111.114 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -83.2 -27.81 29.73 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 116.349 -0.387 . . . . 20.0 111.618 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.2 p -138.82 162.55 34.48 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 120.728 0.299 . . . . 20.0 110.633 175.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -80.36 28.85 0.3 Allowed 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 116.569 -0.287 . . . . 20.0 111.701 -173.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -87.58 146.71 25.64 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.42 0.288 . . . . 20.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 10.1 t -123.58 136.54 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 CA-C-N 116.178 -0.464 . . . . 20.0 110.725 173.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -109.37 150.1 40.66 Favored Pre-proline 0 CA--C 1.54 0.593 0 CA-C-N 115.938 -0.574 . . . . 20.0 110.506 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -82.26 -5.39 11.93 Favored 'Trans proline' 0 CA--C 1.549 1.249 0 C-N-CA 122.815 2.344 . . . . 20.0 112.506 176.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 533' ' ' LEU . . . . . 0.4 HD22 ' CZ ' ' A' ' 536' ' ' TYR . 6.9 mp -132.78 144.47 50.27 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.716 0.406 . . . . 20.0 110.425 -178.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 534' ' ' ALA . . . . . 0.4 ' HB2' ' CE1' ' A' ' 522' ' ' TYR . . . -68.76 -44.03 74.57 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 116.479 -0.328 . . . . 20.0 111.371 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -62.47 -39.22 92.75 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.713 -0.221 . . . . 20.0 110.803 -177.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 536' ' ' TYR . . . . . 0.4 ' CZ ' HD22 ' A' ' 533' ' ' LEU . 11.9 m-30 -62.65 -39.07 92.72 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.641 -0.254 . . . . 20.0 110.609 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 537' ' ' ARG . . . . . 0.478 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -56.65 -54.3 47.71 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.337 -0.392 . . . . 20.0 110.217 172.441 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 538' ' ' THR . . . . . 0.478 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 48.1 m -58.54 -53.97 52.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.782 -0.644 . . . . 20.0 111.115 -173.183 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -63.06 -34.24 77.15 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.739 -0.209 . . . . 20.0 110.889 -176.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -67.23 -46.02 75.05 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-O 120.718 0.294 . . . . 20.0 110.986 174.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.83 -30.82 70.31 Favored 'General case' 0 CA--C 1.55 0.954 0 O-C-N 122.299 -0.25 . . . . 20.0 110.999 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 22.5 mt -62.27 -29.02 45.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-O 120.868 0.366 . . . . 20.0 110.558 171.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.66 -27.55 61.31 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 116.263 -0.426 . . . . 20.0 110.957 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -78.01 -41.65 35.14 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-O 120.525 0.202 . . . . 20.0 111.015 176.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 80.4 p -77.82 -18.99 55.73 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 116.798 -0.183 . . . . 20.0 111.351 -177.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 76.75 17.06 80.23 Favored Glycine 0 CA--C 1.542 1.726 0 C-N-CA 121.549 -0.358 . . . . 20.0 112.534 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.36 98.89 0.37 Allowed 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 120.959 0.409 . . . . 20.0 111.173 -174.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 75.6 mtt-85 -85.64 94.12 9.0 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 121.007 0.432 . . . . 20.0 110.3 176.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -90.88 -27.05 19.04 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 115.627 -0.715 . . . . 20.0 111.929 -169.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -91.74 89.81 7.26 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.882 0.372 . . . . 20.0 110.706 -173.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -80.66 128.8 34.03 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.263 -0.426 . . . . 20.0 110.853 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 24.6 t -86.43 107.64 18.14 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.442 -0.344 . . . . 20.0 110.421 174.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 26.6 mt -68.2 -17.13 64.24 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 116.727 -0.215 . . . . 20.0 111.563 -177.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.15 -50.15 17.21 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-O 120.479 0.181 . . . . 20.0 111.369 -175.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 26.3 p -118.89 -12.89 9.53 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 111.77 0.285 . . . . 20.0 111.77 -175.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 102.62 -13.36 56.61 Favored Glycine 0 CA--C 1.549 2.167 0 C-N-CA 121.642 -0.313 . . . . 20.0 113.08 174.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -72.26 130.22 40.28 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 117.134 0.467 . . . . 20.0 111.106 -173.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 53.3 m -101.77 143.02 32.21 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 120.805 0.336 . . . . 20.0 110.839 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -122.37 157.27 32.2 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.217 -0.447 . . . . 20.0 111.045 -176.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.2 tt -82.4 -23.22 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 116.196 -0.456 . . . . 20.0 111.765 -170.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 34.2 p30 -152.85 171.38 18.36 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 120.982 0.42 . . . . 20.0 111.15 -176.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -62.02 -41.57 98.22 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.891 -0.595 . . . . 20.0 111.219 -178.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.8 mp0 -56.97 -44.54 82.74 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.586 -0.279 . . . . 20.0 111.031 -173.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -69.42 -46.66 66.29 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.563 -0.29 . . . . 20.0 110.932 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 29.2 ttp -58.56 -52.01 67.47 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 120.667 0.27 . . . . 20.0 111.193 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 12.0 t -63.6 -42.68 98.22 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.6 -0.273 . . . . 20.0 110.775 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 28.6 t -58.92 -42.69 90.28 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.813 0.34 . . . . 20.0 110.794 175.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 43.6 t60 -66.49 -46.64 75.64 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 116.365 -0.38 . . . . 20.0 111.193 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 78.3 mt -63.43 -40.17 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-O 120.474 0.178 . . . . 20.0 110.664 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -67.56 -41.24 84.53 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.808 -0.178 . . . . 20.0 111.316 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 29.6 p -83.72 -32.02 25.73 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 111.752 0.278 . . . . 20.0 111.752 -173.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 76.0 t -99.07 -47.99 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 CA-C-O 120.511 0.196 . . . . 20.0 111.387 -173.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 . . . . . 0 CA--C 1.553 1.06 0 CA-C-N 116.562 -0.29 . . . . 20.0 111.52 -173.422 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 37.5 mt . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.555 0.217 . . . . 20.0 111.204 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -148.38 157.82 43.72 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.758 0.313 . . . . 20.0 110.795 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -136.87 129.13 29.78 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.2 -0.455 . . . . 20.0 110.452 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.1 tt -94.2 110.17 21.92 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.312 -0.404 . . . . 20.0 110.565 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -84.8 153.87 61.02 Favored Pre-proline 0 CA--C 1.551 1.009 0 CA-C-N 116.253 -0.431 . . . . 20.0 110.741 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -64.72 156.04 63.72 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 122.385 2.057 . . . . 20.0 112.366 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 49.0 t -89.77 128.49 36.14 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.15 -0.477 . . . . 20.0 110.481 174.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -125.17 -20.08 4.97 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 116.41 -0.359 . . . . 20.0 111.651 -175.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 30.1 p -67.95 -25.79 65.63 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 111.79 0.293 . . . . 20.0 111.79 -175.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.8 pp -139.78 162.38 35.27 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 120.863 0.363 . . . . 20.0 111.026 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -87.02 108.37 18.83 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 116.083 -0.508 . . . . 20.0 111.559 -170.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 33.9 pt -143.7 169.72 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-N 115.9 -0.591 . . . . 20.0 109.984 170.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -75.32 145.2 41.96 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.822 -0.436 . . . . 20.0 109.822 171.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -129.32 120.59 25.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.057 0.456 . . . . 20.0 110.85 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -59.05 145.83 40.64 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.631 -0.713 . . . . 20.0 110.648 177.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -68.06 -9.95 50.0 Favored 'General case' 0 CA--C 1.555 1.144 0 N-CA-C 111.956 0.354 . . . . 20.0 111.956 -171.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -77.56 -15.62 59.14 Favored 'General case' 0 CA--C 1.556 1.206 0 O-C-N 122.329 -0.232 . . . . 20.0 110.909 174.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.4 mm? . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 120.949 0.404 . . . . 20.0 110.104 169.482 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 . . . . . 0 CA--C 1.551 1.018 0 CA-C-O 120.692 0.282 . . . . 20.0 111.37 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 483' ' ' HIS . . . . . 0.49 ' HB3' HD21 ' A' ' 509' ' ' LEU . 50.7 p-80 -160.93 176.34 11.53 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 120.891 0.377 . . . . 20.0 111.165 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -136.51 158.15 45.1 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.82 -0.627 . . . . 20.0 110.09 169.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -99.04 136.44 39.0 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.881 0.372 . . . . 20.0 110.831 -177.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.3 tp -134.01 114.6 13.39 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.018 -0.537 . . . . 20.0 110.313 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 29.6 mt -85.76 123.52 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 120.912 0.387 . . . . 20.0 110.541 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 50.0 t -135.71 124.6 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 115.858 -0.61 . . . . 20.0 110.162 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 37.1 t0 50.71 40.48 24.28 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-O 121.076 0.465 . . . . 20.0 111.041 -178.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.15 -23.28 11.63 Favored Glycine 0 CA--C 1.549 2.192 0 CA-C-N 116.162 -0.472 . . . . 20.0 112.94 176.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -87.04 137.35 32.42 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 116.904 0.352 . . . . 20.0 111.04 -177.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 92.5 t -80.58 122.83 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 116.503 -0.317 . . . . 20.0 110.149 171.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -105.03 153.99 20.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.261 -0.427 . . . . 20.0 110.176 172.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -118.0 123.19 45.11 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.266 -0.424 . . . . 20.0 110.119 178.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.3 mt -115.5 129.17 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-O 120.832 0.349 . . . . 20.0 111.14 -170.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 7.4 t -65.82 136.03 55.64 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.168 -0.469 . . . . 20.0 110.611 177.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 29.3 pt -68.53 -39.82 81.13 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 CA-C-N 116.626 -0.261 . . . . 20.0 111.58 -176.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 43.3 t -61.1 -65.02 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 N-CA-C 112.125 0.417 . . . . 20.0 112.125 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 29.7 p -105.05 -5.87 20.49 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 112.614 0.598 . . . . 20.0 112.614 -169.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 60.45 37.7 19.69 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 111.964 0.357 . . . . 20.0 111.964 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -78.44 131.6 36.97 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 109.845 -0.428 . . . . 20.0 109.845 169.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 24.6 p -94.28 143.23 26.57 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 120.916 0.389 . . . . 20.0 111.142 -176.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -135.01 142.82 46.51 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.85 -0.614 . . . . 20.0 110.968 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 72.3 t -80.92 -19.32 11.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-N 116.0 -0.545 . . . . 20.0 110.718 175.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 75.3 m -133.56 134.15 42.99 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.834 0.35 . . . . 20.0 111.065 -178.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 17.2 mt -57.67 -34.88 69.86 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 116.328 -0.396 . . . . 20.0 111.149 177.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 27.8 p -56.97 -38.88 73.62 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-O 120.513 0.197 . . . . 20.0 111.076 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 13.6 m -66.63 -42.89 86.04 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.559 -0.291 . . . . 20.0 110.968 175.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.49 HD21 ' HB3' ' A' ' 483' ' ' HIS . 2.1 tp -61.64 -47.44 85.41 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 116.324 -0.398 . . . . 20.0 110.902 179.235 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 51.5 mmm-85 -64.39 -44.17 92.15 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 120.611 0.243 . . . . 20.0 110.617 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -52.51 -45.59 66.3 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 116.126 -0.488 . . . . 20.0 110.674 171.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -70.63 -42.52 70.8 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-N 116.116 -0.493 . . . . 20.0 111.347 -176.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -59.56 -25.28 64.43 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 111.574 0.213 . . . . 20.0 111.574 -174.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -23.35 60.08 Favored 'General case' 0 CA--C 1.565 1.556 0 CA-C-N 116.782 -0.19 . . . . 20.0 111.129 175.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 34.5 mt -76.24 -23.37 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 122.555 0.342 . . . . 20.0 111.061 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -93.12 -43.9 8.63 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 120.735 0.303 . . . . 20.0 111.026 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 82.3 p -78.83 -31.99 46.03 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.311 -0.404 . . . . 20.0 111.401 -174.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 55.3 m95 50.06 34.17 7.91 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 121.301 0.572 . . . . 20.0 110.588 -169.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -59.86 -34.55 73.28 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.698 -0.683 . . . . 20.0 110.917 176.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -136.5 122.85 20.64 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.002 -0.545 . . . . 20.0 110.354 -175.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -94.7 144.02 25.96 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.311 -0.404 . . . . 20.0 110.583 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -122.51 79.85 46.77 Favored Pre-proline 0 CA--C 1.548 0.898 0 CA-C-N 116.026 -0.534 . . . . 20.0 110.116 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.07 146.22 22.68 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.735 2.29 . . . . 20.0 112.879 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 41.1 t -78.63 142.41 37.24 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 115.746 -0.661 . . . . 20.0 110.617 175.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -80.97 -31.12 34.97 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 120.617 0.246 . . . . 20.0 111.159 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -84.27 -25.82 29.08 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-N 116.43 -0.35 . . . . 20.0 111.826 -173.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 13.7 p -144.22 175.13 10.3 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 120.708 0.289 . . . . 20.0 111.016 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -82.25 6.13 17.75 Favored 'General case' 0 CA--C 1.564 1.482 0 N-CA-C 112.16 0.43 . . . . 20.0 112.16 -170.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -65.2 141.65 58.58 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.741 0.305 . . . . 20.0 111.258 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 19.2 t -123.59 129.37 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 115.84 -0.618 . . . . 20.0 109.86 169.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -104.87 149.43 37.53 Favored Pre-proline 0 CA--C 1.541 0.633 0 CA-C-N 116.271 -0.422 . . . . 20.0 110.485 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -81.95 -7.0 12.3 Favored 'Trans proline' 0 CA--C 1.554 1.5 0 C-N-CA 122.897 2.398 . . . . 20.0 112.737 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 9.4 mp -131.6 146.92 52.45 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.628 0.371 . . . . 20.0 110.176 177.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -65.41 -46.56 79.49 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.722 0.296 . . . . 20.0 111.15 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -63.04 -37.7 88.24 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.452 -0.34 . . . . 20.0 111.188 -177.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -60.64 -40.42 91.93 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 120.581 0.229 . . . . 20.0 110.551 177.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -62.65 -49.06 76.66 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.511 -0.313 . . . . 20.0 110.412 174.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 31.1 m -52.5 -56.34 15.81 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.501 -0.318 . . . . 20.0 111.155 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -67.45 -29.94 69.53 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.693 -0.23 . . . . 20.0 110.913 -173.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -67.39 -43.85 80.35 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-O 120.649 0.262 . . . . 20.0 110.791 171.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -68.34 -29.82 68.64 Favored 'General case' 0 CA--C 1.552 1.045 0 O-C-N 122.303 -0.248 . . . . 20.0 111.127 -179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 21.1 mt -63.41 -27.96 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 CA-C-O 120.824 0.345 . . . . 20.0 110.727 170.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -72.54 -26.41 61.74 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 116.308 -0.405 . . . . 20.0 110.853 175.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -79.67 -45.97 18.03 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 116.616 -0.266 . . . . 20.0 111.109 175.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 58.2 p -68.92 -32.6 72.34 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 120.612 0.244 . . . . 20.0 110.799 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 85.7 13.99 68.76 Favored Glycine 0 CA--C 1.537 1.463 0 CA-C-N 116.352 -0.385 . . . . 20.0 112.414 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -63.41 119.44 9.73 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 120.756 0.312 . . . . 20.0 111.181 -176.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.56 147.94 33.56 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 116.238 -0.437 . . . . 20.0 110.206 171.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -136.18 -38.05 0.7 Allowed 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 116.449 -0.341 . . . . 20.0 111.772 -177.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -98.51 115.09 27.81 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 120.634 0.254 . . . . 20.0 110.786 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -105.82 127.93 53.42 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 120.822 0.344 . . . . 20.0 110.639 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 43.4 t -66.21 143.89 56.96 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.213 -0.448 . . . . 20.0 109.96 171.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 86.5 mt -100.4 -15.95 17.77 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 120.493 0.187 . . . . 20.0 111.275 -178.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.01 -49.43 19.86 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-O 120.541 0.21 . . . . 20.0 111.184 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 31.9 p -120.02 -2.11 10.29 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 112.072 0.397 . . . . 20.0 112.072 -174.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 79.99 0.41 85.43 Favored Glycine 0 CA--C 1.556 2.618 0 C-N-CA 120.948 -0.644 . . . . 20.0 113.4 172.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -71.91 139.52 48.79 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 117.3 0.55 . . . . 20.0 111.026 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 57.7 m -106.45 149.15 27.34 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-N 116.245 -0.434 . . . . 20.0 111.299 -176.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -133.58 159.0 41.76 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 116.035 -0.529 . . . . 20.0 111.122 -175.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 3.9 tt -84.92 -26.07 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 CA-C-N 116.085 -0.507 . . . . 20.0 111.573 -173.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -151.98 168.99 23.44 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-O 120.978 0.418 . . . . 20.0 111.018 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -69.96 -36.75 75.5 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.042 -0.527 . . . . 20.0 111.045 -172.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -59.27 -43.53 92.48 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 116.425 -0.352 . . . . 20.0 110.959 -175.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -70.85 -44.84 65.61 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 116.585 -0.28 . . . . 20.0 111.147 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -40.95 91.5 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-O 120.593 0.235 . . . . 20.0 111.008 -176.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 26.0 t -60.74 -48.21 82.81 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 120.72 0.295 . . . . 20.0 110.597 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 21.4 t -59.74 -40.38 87.89 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.344 -0.389 . . . . 20.0 111.054 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -62.31 -50.34 72.05 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.437 -0.347 . . . . 20.0 111.202 -178.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 70.7 mt -64.4 -38.93 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-O 120.642 0.258 . . . . 20.0 110.675 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -67.45 -44.26 79.09 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.445 -0.343 . . . . 20.0 111.167 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 46.5 p -80.62 -33.51 35.73 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 111.823 0.305 . . . . 20.0 111.823 -174.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 73.5 t -93.21 -48.14 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-O 120.558 0.218 . . . . 20.0 111.45 -172.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 . . . . . 0 CA--C 1.547 0.852 0 CA-C-N 116.577 -0.283 . . . . 20.0 111.538 -172.974 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 12.5 mt . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 120.647 0.26 . . . . 20.0 111.406 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -148.0 163.27 37.38 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 120.855 0.36 . . . . 20.0 111.005 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -135.37 140.88 45.36 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.972 -0.558 . . . . 20.0 110.541 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -98.83 124.54 43.79 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.305 -0.407 . . . . 20.0 110.662 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -101.68 158.83 31.02 Favored Pre-proline 0 CA--C 1.555 1.152 0 CA-C-N 116.224 -0.443 . . . . 20.0 110.692 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.92 144.16 99.51 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 122.687 2.258 . . . . 20.0 112.685 -176.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 52.6 m -100.08 129.29 46.11 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.169 -0.469 . . . . 20.0 110.265 173.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -147.14 -1.06 0.67 Allowed 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.238 0.459 . . . . 20.0 112.238 -171.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 95.4 p -67.41 -20.43 65.53 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 120.58 0.229 . . . . 20.0 111.334 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.97 168.96 18.6 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.464 -0.335 . . . . 20.0 110.655 177.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -79.28 105.93 10.95 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.259 -0.428 . . . . 20.0 111.37 -172.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 27.9 pt -147.89 171.85 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 CA-C-N 115.831 -0.622 . . . . 20.0 110.041 170.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -80.94 147.47 30.27 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 110.163 -0.31 . . . . 20.0 110.163 172.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -125.88 118.78 26.19 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.898 0.38 . . . . 20.0 110.39 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -59.85 151.62 25.22 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.848 -0.614 . . . . 20.0 110.971 -177.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -64.1 -13.45 47.8 Favored 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 112.2 0.445 . . . . 20.0 112.2 -173.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -80.94 -13.61 58.74 Favored 'General case' 0 CA--C 1.557 1.236 0 O-C-N 122.432 -0.167 . . . . 20.0 111.129 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.812 0.339 . . . . 20.0 110.175 169.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 11.6 p30 . . . . . 0 CA--C 1.555 1.135 0 CA-C-O 120.759 0.314 . . . . 20.0 111.24 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 483' ' ' HIS . . . . . 0.461 ' HB3' HD21 ' A' ' 509' ' ' LEU . 56.5 p-80 -159.47 175.52 13.19 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.828 0.346 . . . . 20.0 111.01 177.478 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -138.02 156.84 47.41 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.97 -0.559 . . . . 20.0 110.446 171.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -96.83 140.86 30.77 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 120.863 0.363 . . . . 20.0 110.809 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.7 tp -139.02 113.24 8.76 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.059 -0.519 . . . . 20.0 110.324 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 30.5 mt -84.12 123.56 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-O 120.951 0.405 . . . . 20.0 110.55 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 44.9 t -137.16 129.05 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 115.772 -0.649 . . . . 20.0 110.114 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.41 36.12 19.2 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-O 120.904 0.383 . . . . 20.0 111.282 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.97 0.91 86.73 Favored Glycine 0 CA--C 1.55 2.23 0 CA-C-N 116.408 -0.36 . . . . 20.0 112.94 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 -108.36 136.04 48.65 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.485 0.314 . . . . 20.0 110.647 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 73.3 t -80.04 118.5 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-O 120.724 0.297 . . . . 20.0 110.315 174.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -100.2 155.77 17.57 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.23 -0.441 . . . . 20.0 110.236 171.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -120.48 125.66 48.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.209 -0.451 . . . . 20.0 110.029 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.3 mt -120.49 130.0 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.866 0.365 . . . . 20.0 111.176 -169.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 5.2 t -67.67 136.93 55.11 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 116.157 -0.474 . . . . 20.0 110.656 176.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 35.6 pt -67.62 -40.9 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 N-CA-C 111.712 0.264 . . . . 20.0 111.712 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.91 -64.46 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 112.002 0.371 . . . . 20.0 112.002 -175.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.2 p -105.15 -6.34 19.94 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 112.477 0.547 . . . . 20.0 112.477 -169.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 62.1 36.23 15.34 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 122.679 0.391 . . . . 20.0 111.871 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -73.51 126.35 30.04 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 109.969 -0.382 . . . . 20.0 109.969 169.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 34.6 p -95.52 143.6 26.7 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 120.872 0.368 . . . . 20.0 111.202 -177.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -136.7 143.77 43.56 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.921 -0.581 . . . . 20.0 111.162 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 72.3 t -79.33 -21.14 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-N 115.933 -0.576 . . . . 20.0 110.828 174.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 69.3 m -133.3 133.28 42.37 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 120.762 0.315 . . . . 20.0 110.994 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 24.0 mt -55.31 -32.61 62.6 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 116.384 -0.371 . . . . 20.0 110.935 175.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 29.3 p -56.43 -40.23 74.41 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.585 0.231 . . . . 20.0 111.163 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 19.6 m -67.82 -41.91 82.34 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.61 -0.268 . . . . 20.0 110.925 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 483' ' ' HIS . 5.9 tp -60.38 -45.93 91.77 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.339 -0.391 . . . . 20.0 110.819 178.428 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -59.98 -44.8 94.26 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 120.75 0.309 . . . . 20.0 110.629 178.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -59.01 -38.42 79.19 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.069 -0.514 . . . . 20.0 110.937 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -78.32 -47.39 17.87 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 116.336 -0.393 . . . . 20.0 111.613 -175.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -58.94 -21.83 58.8 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 111.638 0.236 . . . . 20.0 111.638 -170.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -24.27 60.83 Favored 'General case' 0 CA--C 1.562 1.442 0 CA-C-O 120.508 0.194 . . . . 20.0 111.227 175.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 41.8 mt -73.94 -21.28 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 122.436 0.294 . . . . 20.0 111.05 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -94.23 -43.0 8.65 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.606 0.241 . . . . 20.0 110.925 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 94.0 p -74.28 -37.15 63.79 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.446 -0.343 . . . . 20.0 111.381 -175.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 63.7 m95 50.65 30.57 4.99 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.269 0.557 . . . . 20.0 110.504 -169.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -69.84 -32.93 71.59 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.856 -0.611 . . . . 20.0 110.622 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -127.39 115.88 19.62 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.175 -0.466 . . . . 20.0 110.386 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -90.24 146.78 23.98 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 116.342 -0.39 . . . . 20.0 110.731 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -123.64 79.86 55.37 Favored Pre-proline 0 CA--C 1.548 0.896 0 CA-C-N 116.123 -0.49 . . . . 20.0 110.599 178.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.98 145.44 24.92 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.755 2.303 . . . . 20.0 112.721 -177.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 40.5 t -80.75 146.25 31.1 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 115.884 -0.598 . . . . 20.0 110.595 175.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -82.37 -30.56 30.21 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 116.642 -0.254 . . . . 20.0 111.387 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -85.7 -26.61 25.82 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 116.561 -0.291 . . . . 20.0 111.722 -173.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 20.1 p -138.48 162.27 34.93 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 120.781 0.324 . . . . 20.0 110.713 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -80.97 29.36 0.34 Allowed 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 120.768 0.318 . . . . 20.0 111.655 -174.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -87.94 149.62 23.95 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 116.526 -0.306 . . . . 20.0 110.838 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 14.1 t -126.18 135.83 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 116.266 -0.425 . . . . 20.0 110.783 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -110.26 154.23 42.98 Favored Pre-proline 0 CA--C 1.543 0.692 0 CA-C-N 115.974 -0.557 . . . . 20.0 110.726 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -85.55 -4.55 9.21 Favored 'Trans proline' 0 CA--C 1.556 1.591 0 C-N-CA 122.963 2.442 . . . . 20.0 112.974 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.3 mp -132.95 146.94 52.23 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.393 0.277 . . . . 20.0 110.462 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.98 -44.63 92.11 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 116.526 -0.306 . . . . 20.0 110.891 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -55.78 -39.37 71.16 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.549 -0.296 . . . . 20.0 110.903 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 9.5 m-30 -68.62 -38.89 80.9 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.531 -0.304 . . . . 20.0 111.231 -173.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -68.8 -39.79 79.92 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 120.838 -0.345 . . . . 20.0 110.576 173.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 55.2 m -61.85 -57.1 13.13 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.51 0.195 . . . . 20.0 110.824 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -63.88 -32.01 73.39 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.808 -0.178 . . . . 20.0 110.932 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -67.53 -44.92 77.19 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-O 120.689 0.28 . . . . 20.0 110.967 175.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.64 -27.21 64.86 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-O 120.566 0.222 . . . . 20.0 110.827 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 13.1 mt -66.46 -26.8 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-O 120.736 0.303 . . . . 20.0 110.518 169.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -78.99 -30.42 44.32 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 116.324 -0.398 . . . . 20.0 111.153 176.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -72.53 -39.17 67.76 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 120.805 0.336 . . . . 20.0 110.696 175.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 21.6 p -84.76 -13.81 50.09 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 116.083 -0.508 . . . . 20.0 111.309 -177.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 70.22 13.3 70.14 Favored Glycine 0 CA--C 1.541 1.699 0 C-N-CA 121.564 -0.351 . . . . 20.0 112.487 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -57.11 115.06 2.42 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 120.847 0.355 . . . . 20.0 111.062 -176.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -76.7 138.63 40.12 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.327 -0.397 . . . . 20.0 110.218 174.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 51.8 mmm-85 -123.76 -59.19 1.54 Allowed 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 116.191 -0.459 . . . . 20.0 111.198 -172.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -92.44 107.32 19.12 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.707 0.289 . . . . 20.0 110.706 -173.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -98.04 137.44 36.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.352 -0.385 . . . . 20.0 110.6 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 45.9 t -73.23 151.46 41.42 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 109.983 -0.377 . . . . 20.0 109.983 171.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 92.1 mt -110.73 -14.09 14.07 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 120.472 0.177 . . . . 20.0 111.289 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.22 -47.41 28.32 Favored 'General case' 0 CA--C 1.556 1.18 0 CA-C-N 116.673 -0.24 . . . . 20.0 111.112 175.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 31.5 p -120.07 -8.35 9.77 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 112.02 0.378 . . . . 20.0 112.02 -176.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 87.29 -3.93 86.4 Favored Glycine 0 CA--C 1.558 2.752 0 C-N-CA 121.006 -0.616 . . . . 20.0 113.684 172.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -67.79 137.32 55.3 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 117.401 0.6 . . . . 20.0 111.256 -175.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 16.7 m -101.59 135.37 43.23 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-N 116.274 -0.421 . . . . 20.0 111.276 -175.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -123.89 159.19 30.2 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 116.155 -0.475 . . . . 20.0 110.893 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 2.1 tt -80.53 -24.56 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-N 116.289 -0.414 . . . . 20.0 111.733 -172.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 42.5 p30 -154.63 170.48 21.41 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-O 120.955 0.407 . . . . 20.0 111.312 -173.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 562' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' A' ' 566' ' ' SER . 29.1 t80 -64.87 -38.05 89.69 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.027 -0.533 . . . . 20.0 111.146 -176.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.6 mp0 -58.46 -42.94 88.58 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.32 -0.4 . . . . 20.0 110.902 -174.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -69.02 -46.05 68.93 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.603 -0.271 . . . . 20.0 110.951 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -47.03 87.11 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-O 120.483 0.182 . . . . 20.0 111.121 -178.263 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 566' ' ' SER . . . . . 0.409 ' HB2' ' CE1' ' A' ' 562' ' ' TYR . 8.9 t -64.8 -45.74 84.99 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.633 0.254 . . . . 20.0 110.776 -178.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 24.1 t -58.9 -41.64 87.69 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.812 0.339 . . . . 20.0 110.817 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 31.0 t60 -63.73 -48.97 74.89 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.37 -0.377 . . . . 20.0 111.145 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 66.9 mt -59.35 -45.7 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-O 120.659 0.266 . . . . 20.0 110.54 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -66.49 -40.25 89.17 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.433 -0.349 . . . . 20.0 111.229 -176.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 36.6 p -82.19 -32.55 29.85 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 111.715 0.265 . . . . 20.0 111.715 -174.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 74.0 t -96.92 -50.3 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 CA-C-O 120.435 0.16 . . . . 20.0 111.37 -173.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 CA--C 1.548 0.902 0 CA-C-N 116.592 -0.276 . . . . 20.0 111.501 -172.402 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 13.3 mt . . . . . 0 CA--C 1.552 1.055 0 CA-C-O 121.075 0.464 . . . . 20.0 110.316 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -142.7 155.74 44.94 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.181 -177.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -123.36 124.65 43.42 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.29 -0.414 . . . . 20.0 110.394 177.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.7 tt -94.39 107.26 19.23 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 116.313 -0.403 . . . . 20.0 110.445 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -79.92 154.89 75.49 Favored Pre-proline 0 CA--C 1.544 0.746 0 CA-C-N 116.21 -0.45 . . . . 20.0 110.866 -177.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -61.78 149.48 89.85 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 122.443 2.096 . . . . 20.0 112.334 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 47.9 t -89.53 126.13 35.48 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.272 -0.422 . . . . 20.0 110.054 171.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.49 -15.1 6.72 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 116.563 -0.289 . . . . 20.0 111.427 -176.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 46.6 m -66.61 -26.99 67.35 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 116.785 -0.189 . . . . 20.0 111.323 -177.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.5 pp -140.93 164.97 28.81 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 120.869 0.366 . . . . 20.0 111.003 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -83.9 118.89 24.28 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.141 -0.481 . . . . 20.0 111.502 -170.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 28.6 pt -141.78 169.64 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 CA-C-N 115.855 -0.611 . . . . 20.0 110.1 171.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -69.21 141.06 54.59 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 110.001 -0.37 . . . . 20.0 110.001 170.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -116.76 96.7 5.6 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.935 0.397 . . . . 20.0 110.691 -173.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -54.55 143.72 23.62 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.064 -0.516 . . . . 20.0 110.481 176.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.82 -10.74 51.09 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 112.279 0.474 . . . . 20.0 112.279 -171.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -85.04 -16.47 40.62 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.592 0.234 . . . . 20.0 111.019 174.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.544 0.712 0 CA-C-O 120.876 0.37 . . . . 20.0 110.194 169.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 45.9 p-10 . . . . . 0 CA--C 1.551 1.016 0 CA-C-O 120.685 0.279 . . . . 20.0 111.128 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 483' ' ' HIS . . . . . 0.409 ' HB3' HD21 ' A' ' 509' ' ' LEU . 56.5 p-80 -160.63 176.94 11.0 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.006 0.432 . . . . 20.0 111.379 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -136.36 159.34 42.07 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.518 -0.765 . . . . 20.0 109.802 169.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -100.56 119.75 39.0 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.85 0.357 . . . . 20.0 110.773 -176.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.5 tp -116.98 113.77 22.85 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.019 -0.537 . . . . 20.0 110.27 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 34.6 mt -87.63 123.49 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-O 120.921 0.391 . . . . 20.0 110.6 -178.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 38.8 t -138.64 129.45 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 115.878 -0.601 . . . . 20.0 110.24 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.41 37.17 21.91 Favored 'General case' 0 CA--C 1.566 1.563 0 CA-C-O 121.004 0.43 . . . . 20.0 111.213 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.38 2.99 88.44 Favored Glycine 0 CA--C 1.55 2.245 0 C-N-CA 121.458 -0.401 . . . . 20.0 112.881 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -112.06 137.21 50.41 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 116.873 0.337 . . . . 20.0 110.719 -178.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 95.4 t -81.62 121.5 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-O 120.661 0.267 . . . . 20.0 110.358 174.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -107.04 115.57 30.4 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.323 -0.399 . . . . 20.0 110.455 175.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -79.86 116.62 20.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 20.0 110.027 177.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 2.5 mt -110.23 124.78 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-N 116.393 -0.367 . . . . 20.0 110.753 -172.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.6 t -62.55 136.04 57.69 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.089 -0.505 . . . . 20.0 110.664 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 28.5 pt -68.69 -39.4 80.23 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 N-CA-C 111.726 0.269 . . . . 20.0 111.726 -176.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 47.9 t -61.23 -65.35 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 111.781 0.289 . . . . 20.0 111.781 -176.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 27.4 p -104.95 -2.95 23.92 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 112.475 0.546 . . . . 20.0 112.475 -169.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 59.49 35.75 22.86 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 111.919 0.341 . . . . 20.0 111.919 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 -79.02 130.39 35.48 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 110.079 -0.341 . . . . 20.0 110.079 169.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 20.3 p -92.32 144.04 25.79 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 116.42 -0.354 . . . . 20.0 111.145 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -135.82 140.04 43.92 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.007 -0.542 . . . . 20.0 110.898 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 86.8 t -78.4 -20.01 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 CA-C-N 115.946 -0.57 . . . . 20.0 110.944 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 68.1 m -133.59 136.02 44.62 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.52 -0.309 . . . . 20.0 111.053 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.12 -34.27 74.71 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 116.461 -0.336 . . . . 20.0 110.973 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 15.7 p -52.55 -40.7 62.83 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 120.575 0.226 . . . . 20.0 111.002 176.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 22.3 m -67.36 -40.87 85.82 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.562 -0.29 . . . . 20.0 111.085 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 483' ' ' HIS . 6.8 tp -61.69 -49.07 77.95 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 116.573 -0.285 . . . . 20.0 110.979 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -62.89 -44.01 97.26 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 120.551 0.215 . . . . 20.0 110.617 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -58.24 -41.25 83.76 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.38 -0.373 . . . . 20.0 110.96 174.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -71.26 -44.93 64.3 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-N 116.267 -0.424 . . . . 20.0 111.504 -177.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -60.51 -20.65 60.85 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 111.629 0.233 . . . . 20.0 111.629 -172.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -23.49 62.53 Favored 'General case' 0 CA--C 1.563 1.453 0 CA-C-O 120.566 0.222 . . . . 20.0 111.128 175.21 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 34.9 mt -77.24 -19.94 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.151 0 C-N-CA 122.457 0.303 . . . . 20.0 111.006 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -96.15 -41.34 8.76 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.679 0.276 . . . . 20.0 110.992 178.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 78.7 p -78.08 -34.96 49.95 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.49 -0.323 . . . . 20.0 111.441 -176.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 53.2 m95 50.6 34.26 9.39 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-O 121.318 0.58 . . . . 20.0 110.114 -169.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.13 -32.65 74.23 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.593 -0.731 . . . . 20.0 110.753 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -130.01 120.27 24.47 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.008 -0.542 . . . . 20.0 110.406 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -90.14 144.46 25.86 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.325 -0.398 . . . . 20.0 110.622 176.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -121.97 80.02 42.17 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 116.073 -0.512 . . . . 20.0 110.393 178.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.41 150.76 25.49 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.822 2.348 . . . . 20.0 112.728 -175.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 45.4 t -87.63 145.4 26.2 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.845 -0.616 . . . . 20.0 110.42 173.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -82.32 -33.03 29.14 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 120.605 0.24 . . . . 20.0 111.18 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -82.64 -24.07 33.96 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 116.416 -0.356 . . . . 20.0 111.671 -172.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.5 p -142.37 163.46 32.78 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 120.733 0.302 . . . . 20.0 110.73 175.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -81.06 30.29 0.33 Allowed 'General case' 0 CA--C 1.565 1.545 0 CA-C-O 120.829 0.347 . . . . 20.0 111.748 -174.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -88.77 147.37 24.48 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 116.467 -0.333 . . . . 20.0 110.864 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 14.5 t -128.66 139.18 52.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 CA-C-N 116.271 -0.422 . . . . 20.0 110.811 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -114.92 156.1 45.56 Favored Pre-proline 0 CA--C 1.547 0.835 0 CA-C-N 115.897 -0.592 . . . . 20.0 110.827 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -85.68 -1.21 8.9 Favored 'Trans proline' 0 CA--C 1.558 1.696 0 C-N-CA 123.039 2.493 . . . . 20.0 112.917 176.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 4.5 mp -136.31 148.91 48.18 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 120.744 0.307 . . . . 20.0 110.748 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.17 -42.56 88.76 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 116.312 -0.404 . . . . 20.0 111.026 175.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -54.47 -42.41 70.65 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.841 0.353 . . . . 20.0 110.702 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -68.19 -38.87 82.46 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.196 -0.456 . . . . 20.0 111.274 -172.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -69.51 -33.14 72.41 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 121.083 -0.247 . . . . 20.0 110.63 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 35.5 m -67.35 -57.65 6.23 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.459 0.171 . . . . 20.0 110.752 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -57.15 -36.12 70.36 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 120.713 0.292 . . . . 20.0 110.849 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -67.99 -46.4 71.43 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 116.562 -0.29 . . . . 20.0 111.135 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -67.75 -27.51 66.84 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 122.4 -0.188 . . . . 20.0 111.056 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 25.1 mt -65.14 -31.74 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-O 120.708 0.29 . . . . 20.0 110.4 170.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.87 -32.33 65.33 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 116.25 -0.432 . . . . 20.0 111.079 176.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -74.39 -41.57 60.75 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 120.743 0.306 . . . . 20.0 111.108 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 19.9 p -80.53 -18.76 47.48 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-N 116.426 -0.352 . . . . 20.0 111.425 -175.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 78.05 11.42 85.4 Favored Glycine 0 CA--C 1.542 1.772 0 C-N-CA 121.56 -0.352 . . . . 20.0 112.485 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -57.25 117.16 3.79 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 120.878 0.37 . . . . 20.0 110.959 -177.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -80.58 140.16 35.91 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.358 -0.383 . . . . 20.0 110.514 176.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 66.4 mtp85 -114.68 -53.86 2.62 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 116.026 -0.534 . . . . 20.0 111.082 -176.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -102.93 120.43 40.62 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.275 -0.42 . . . . 20.0 110.751 -173.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -105.85 131.88 52.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.316 -0.402 . . . . 20.0 110.543 177.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 42.2 t -67.48 144.11 55.86 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.115 -0.493 . . . . 20.0 110.052 171.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 79.7 mt -101.2 -15.47 17.32 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 120.525 0.203 . . . . 20.0 111.35 -178.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.17 -49.11 20.51 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 116.715 -0.221 . . . . 20.0 111.134 177.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 28.3 p -120.12 -2.54 10.18 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 112.012 0.375 . . . . 20.0 112.012 -175.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 79.99 2.59 88.85 Favored Glycine 0 CA--C 1.556 2.596 0 C-N-CA 120.99 -0.624 . . . . 20.0 113.603 172.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -72.17 138.18 47.45 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 117.38 0.59 . . . . 20.0 110.975 -177.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 43.8 m -105.08 141.17 37.12 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 116.316 -0.402 . . . . 20.0 111.173 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -127.54 158.82 36.43 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 116.248 -0.433 . . . . 20.0 111.006 -175.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.4 tt -82.98 -25.7 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 116.252 -0.431 . . . . 20.0 111.686 -172.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 31.0 p30 -152.21 172.18 16.78 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 120.989 0.423 . . . . 20.0 111.26 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -68.51 -36.55 79.04 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.926 -0.579 . . . . 20.0 111.376 -175.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.4 mp0 -60.22 -45.15 94.2 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-O 120.709 0.29 . . . . 20.0 110.963 -176.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -68.4 -48.34 64.94 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.568 -0.287 . . . . 20.0 111.091 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -40.02 95.86 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 120.574 0.226 . . . . 20.0 110.775 -177.589 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 35.2 t -61.73 -49.59 75.8 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.719 0.295 . . . . 20.0 110.628 177.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 27.2 t -60.07 -39.81 87.34 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.32 -0.4 . . . . 20.0 110.945 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -63.4 -49.66 72.93 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 116.485 -0.325 . . . . 20.0 111.187 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 67.8 mt -65.95 -35.45 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 120.634 0.254 . . . . 20.0 110.674 -177.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -67.83 -46.94 70.4 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 116.489 -0.323 . . . . 20.0 111.123 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 30.5 p -78.01 -33.47 51.21 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 111.814 0.302 . . . . 20.0 111.814 -173.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 71.0 t -94.78 -48.58 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 111.486 0.18 . . . . 20.0 111.486 -172.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 . . . . . 0 CA--C 1.551 0.996 0 CA-C-N 116.627 -0.26 . . . . 20.0 111.537 -173.036 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 8.1 mt . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.591 0.234 . . . . 20.0 111.365 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -148.98 163.73 36.64 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 120.901 0.382 . . . . 20.0 111.102 -178.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -136.97 140.84 42.49 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.003 -0.544 . . . . 20.0 110.609 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.78 126.7 41.22 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 116.39 -0.368 . . . . 20.0 110.564 -179.291 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -106.97 150.23 39.55 Favored Pre-proline 0 N--CA 1.483 1.216 0 CA-C-N 116.454 -0.339 . . . . 20.0 110.822 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -66.11 156.86 62.61 Favored 'Trans proline' 0 CA--C 1.545 1.025 0 C-N-CA 122.599 2.199 . . . . 20.0 112.555 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 37.0 t -97.85 132.0 43.84 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.035 -0.53 . . . . 20.0 110.546 176.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -128.4 -12.23 5.04 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 116.338 -0.392 . . . . 20.0 111.61 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 36.3 m -68.77 -28.0 66.4 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 111.626 0.232 . . . . 20.0 111.626 -175.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.1 pp -139.86 164.2 30.61 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 120.897 0.379 . . . . 20.0 110.849 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.38 109.16 17.64 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 116.122 -0.49 . . . . 20.0 111.446 -171.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 25.0 pt -144.74 168.95 9.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 CA-C-N 115.78 -0.646 . . . . 20.0 109.906 169.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -76.39 141.01 41.59 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 110.064 -0.347 . . . . 20.0 110.064 174.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -123.7 115.16 20.96 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.01 0.433 . . . . 20.0 110.593 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -64.84 160.36 20.53 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.684 -0.689 . . . . 20.0 111.087 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -65.44 -12.47 52.78 Favored 'General case' 0 CA--C 1.561 1.387 0 CA-C-N 116.401 -0.363 . . . . 20.0 111.848 -177.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -84.31 -24.36 29.87 Favored 'General case' 0 CA--C 1.556 1.194 0 O-C-N 122.459 -0.15 . . . . 20.0 110.968 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.076 -0.342 . . . . 20.0 110.076 169.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 482' ' ' ASP . . . . . 0.432 ' CG ' HH12 ' A' ' 510' ' ' ARG . 10.3 p30 . . . . . 0 CA--C 1.553 1.071 0 CA-C-O 120.939 0.4 . . . . 20.0 110.505 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 483' ' ' HIS . . . . . 0.409 ' HB3' HD21 ' A' ' 509' ' ' LEU . 51.6 p-80 -161.31 176.07 11.59 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.879 -0.601 . . . . 20.0 110.077 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -134.88 155.49 50.59 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.37 -0.377 . . . . 20.0 110.246 169.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -108.82 122.86 48.06 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.008 0.432 . . . . 20.0 110.653 -174.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 14.6 tp -118.31 117.08 28.12 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.747 -0.66 . . . . 20.0 110.233 -178.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 27.9 mt -88.55 122.9 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.946 0.403 . . . . 20.0 110.589 -178.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 47.4 t -137.67 128.31 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 115.75 -0.659 . . . . 20.0 110.032 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.17 36.65 19.75 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-O 120.955 0.407 . . . . 20.0 111.217 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 80.26 -0.74 83.45 Favored Glycine 0 CA--C 1.55 2.246 0 CA-C-N 116.415 -0.357 . . . . 20.0 112.95 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -105.88 134.07 49.6 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.477 0.311 . . . . 20.0 110.757 -178.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 84.0 t -80.95 122.83 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 110.23 -0.285 . . . . 20.0 110.23 175.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -110.4 114.03 27.16 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.392 -0.367 . . . . 20.0 110.541 177.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -79.79 120.15 23.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.297 -0.41 . . . . 20.0 110.23 177.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.3 mt -113.75 130.94 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.353 -0.385 . . . . 20.0 110.908 -172.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 8.9 t -67.04 136.85 55.88 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.723 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 21.4 pt -68.41 -39.83 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 CA-C-N 116.665 -0.243 . . . . 20.0 111.639 -177.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 52.4 t -61.47 -64.46 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 111.813 0.301 . . . . 20.0 111.813 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 29.7 p -105.04 -4.76 21.58 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 112.726 0.639 . . . . 20.0 112.726 -169.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 58.66 38.48 25.08 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 122.563 0.345 . . . . 20.0 111.796 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -81.12 133.18 35.42 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 109.991 -0.374 . . . . 20.0 109.991 169.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 31.0 p -95.25 141.77 28.46 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 120.881 0.372 . . . . 20.0 111.293 -175.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -134.85 137.06 42.92 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.782 -0.645 . . . . 20.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 72.2 t -76.81 -16.82 14.76 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.853 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 56.7 m -133.9 136.35 44.24 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.447 -0.342 . . . . 20.0 111.047 -177.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 20.5 mt -58.7 -33.41 70.14 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.311 -0.404 . . . . 20.0 110.751 174.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 29.6 p -53.66 -45.89 70.4 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-O 120.639 0.257 . . . . 20.0 110.967 175.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 53.0 m -66.25 -41.83 89.42 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.54 -0.3 . . . . 20.0 110.799 178.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 483' ' ' HIS . 7.6 tp -60.49 -47.63 85.28 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.514 -0.312 . . . . 20.0 110.84 179.153 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 510' ' ' ARG . . . . . 0.432 HH12 ' CG ' ' A' ' 482' ' ' ASP . 0.0 OUTLIER -62.52 -48.51 79.22 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.381 0.272 . . . . 20.0 110.752 179.056 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -54.38 -38.73 66.49 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 116.21 -0.45 . . . . 20.0 110.933 175.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -75.03 -45.36 42.23 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 116.293 -0.412 . . . . 20.0 111.441 -178.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -61.28 -23.54 65.76 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 120.546 0.212 . . . . 20.0 111.459 -172.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.64 -25.46 62.75 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-N 116.654 -0.248 . . . . 20.0 111.069 174.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 30.8 mt -76.1 -19.02 15.3 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 C-N-CA 122.474 0.31 . . . . 20.0 111.074 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -95.95 -41.64 8.68 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.633 0.254 . . . . 20.0 110.945 177.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 87.7 p -74.93 -36.73 62.14 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.588 -0.278 . . . . 20.0 111.282 -177.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 71.2 m95 49.43 34.29 6.48 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 121.293 0.568 . . . . 20.0 110.38 -169.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -73.99 -30.66 62.59 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.833 -0.621 . . . . 20.0 110.752 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -128.83 117.03 20.37 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.187 -0.46 . . . . 20.0 110.443 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -96.29 151.29 19.66 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.224 -0.444 . . . . 20.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -127.82 80.83 71.41 Favored Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 116.016 -0.538 . . . . 20.0 110.592 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -69.65 145.81 58.94 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.756 2.304 . . . . 20.0 112.584 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 42.8 t -80.54 144.27 32.6 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 115.871 -0.604 . . . . 20.0 110.495 172.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -78.7 -35.15 45.38 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-O 120.642 0.258 . . . . 20.0 111.092 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -81.61 -26.01 35.24 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-N 116.272 -0.422 . . . . 20.0 111.762 -172.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 15.6 p -141.88 167.51 21.97 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.764 0.316 . . . . 20.0 110.968 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.29 11.8 2.71 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 111.995 0.368 . . . . 20.0 111.995 -173.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -71.82 146.52 47.94 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 120.781 0.324 . . . . 20.0 110.989 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 21.8 t -125.89 138.63 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 CA-C-N 116.048 -0.524 . . . . 20.0 110.627 175.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -111.03 148.17 38.09 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 116.014 -0.539 . . . . 20.0 110.813 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -82.44 -3.87 11.51 Favored 'Trans proline' 0 CA--C 1.557 1.649 0 C-N-CA 122.98 2.453 . . . . 20.0 112.522 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.3 mp -130.94 146.7 52.43 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.653 0.381 . . . . 20.0 110.289 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -70.57 -42.14 71.49 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 116.629 -0.259 . . . . 20.0 111.338 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.85 -37.71 88.4 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 121.249 -0.18 . . . . 20.0 110.801 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -59.89 -38.49 82.4 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.486 0.184 . . . . 20.0 110.841 176.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 537' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -57.48 -52.74 64.16 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.891 0.377 . . . . 20.0 110.21 173.217 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 538' ' ' THR . . . . . 0.48 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 98.6 m -59.93 -53.9 52.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.822 -0.626 . . . . 20.0 111.301 -174.365 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -56.5 -40.59 75.24 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 120.704 0.288 . . . . 20.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -68.92 -44.38 73.22 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 116.509 -0.314 . . . . 20.0 111.227 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -67.08 -30.99 71.18 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.555 0.217 . . . . 20.0 110.897 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 51.6 mt -62.75 -43.87 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 110.254 -0.276 . . . . 20.0 110.254 170.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -62.74 -30.95 71.82 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 116.557 -0.292 . . . . 20.0 110.977 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -72.48 -28.55 62.98 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 120.675 0.274 . . . . 20.0 111.096 175.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 18.0 m -89.75 -36.61 15.08 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.4 -0.364 . . . . 20.0 111.202 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 92.45 11.74 59.2 Favored Glycine 0 CA--C 1.546 1.988 0 CA-C-N 116.441 -0.345 . . . . 20.0 112.607 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -60.13 115.58 3.58 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 120.918 0.39 . . . . 20.0 111.018 -177.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 37.0 mmt-85 -89.45 80.81 6.67 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 116.319 -0.401 . . . . 20.0 110.59 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -78.14 -32.24 50.25 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 116.119 -0.491 . . . . 20.0 111.766 -173.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -90.31 96.97 10.91 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.815 0.34 . . . . 20.0 110.622 -174.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -95.1 131.5 41.03 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.926 0.393 . . . . 20.0 111.019 -178.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 43.7 t -70.3 149.35 47.48 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.044 -0.525 . . . . 20.0 110.198 171.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 96.2 mt -106.54 -21.1 13.17 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.605 -0.27 . . . . 20.0 111.269 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -74.99 -50.01 17.99 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-N 116.642 -0.254 . . . . 20.0 111.155 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 28.5 p -117.56 -1.47 11.66 Favored 'General case' 0 CA--C 1.562 1.431 0 N-CA-C 111.878 0.325 . . . . 20.0 111.878 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 82.96 -8.76 62.1 Favored Glycine 0 CA--C 1.557 2.689 0 C-N-CA 121.113 -0.565 . . . . 20.0 113.574 171.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -65.07 140.44 58.83 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 117.399 0.6 . . . . 20.0 111.175 -175.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 25.3 m -104.19 141.4 36.32 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 120.911 0.386 . . . . 20.0 111.234 -176.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -129.72 162.1 29.15 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 116.017 -0.538 . . . . 20.0 110.816 -177.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 8.6 tt -86.42 -26.84 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 CA-C-N 116.268 -0.424 . . . . 20.0 112.11 -169.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 56.0 p30 -153.49 171.46 18.66 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-O 121.101 0.477 . . . . 20.0 111.426 -175.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -60.98 -40.57 93.95 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.876 -0.602 . . . . 20.0 111.101 -177.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.5 mp0 -59.31 -44.53 92.56 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 116.502 -0.317 . . . . 20.0 110.929 -175.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -71.29 -47.85 54.3 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.594 -0.275 . . . . 20.0 111.15 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.5 -39.64 92.09 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-O 120.463 0.173 . . . . 20.0 110.954 -177.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 48.5 t -63.82 -48.23 77.62 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 120.674 0.273 . . . . 20.0 110.594 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 40.7 t -57.95 -40.74 81.27 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.372 -0.376 . . . . 20.0 110.865 176.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -64.81 -49.49 70.43 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 116.477 -0.329 . . . . 20.0 111.116 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 84.8 mt -62.41 -39.32 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-O 120.613 0.244 . . . . 20.0 110.679 -178.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -69.23 -39.5 78.49 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.514 -0.312 . . . . 20.0 111.384 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 30.2 p -83.45 -33.0 25.74 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 111.67 0.248 . . . . 20.0 111.67 -175.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 72.3 t -97.05 -48.61 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 CA-C-O 120.433 0.158 . . . . 20.0 111.357 -173.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 . . . . . 0 CA--C 1.553 1.072 0 CA-C-N 116.687 -0.233 . . . . 20.0 111.527 -173.877 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 83.1 mt . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 112.494 0.553 . . . . 20.0 112.494 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -143.6 156.26 44.53 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.054 0.454 . . . . 20.0 111.428 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -144.56 133.67 22.81 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.712 -0.676 . . . . 20.0 110.19 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.5 tt -102.55 110.16 22.01 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 120.848 0.356 . . . . 20.0 110.546 -175.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -81.65 155.13 71.16 Favored Pre-proline 0 CA--C 1.555 1.137 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.815 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -56.5 148.05 65.48 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 122.596 2.198 . . . . 20.0 112.549 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 46.3 t -85.07 119.62 25.67 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.308 -0.406 . . . . 20.0 110.288 174.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -111.35 -20.02 12.41 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 116.562 -0.29 . . . . 20.0 111.505 -175.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 55.3 m -69.48 -26.62 64.65 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 111.811 0.301 . . . . 20.0 111.811 -173.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.7 pp -146.31 167.89 22.45 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-O 120.839 0.352 . . . . 20.0 111.026 -178.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.89 116.29 22.7 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.075 -0.511 . . . . 20.0 111.539 -170.322 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 19.9 pt -142.4 167.05 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 CA-C-N 115.871 -0.604 . . . . 20.0 110.366 171.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -74.17 137.56 43.22 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 110.086 -0.339 . . . . 20.0 110.086 170.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -109.61 96.1 6.05 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.191 -0.459 . . . . 20.0 110.754 -171.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -63.44 154.06 33.38 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.028 -0.533 . . . . 20.0 111.15 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.01 -14.04 60.95 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 116.139 -0.482 . . . . 20.0 111.989 -174.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -80.38 -25.23 39.24 Favored 'General case' 0 CA--C 1.552 1.028 0 O-C-N 122.402 -0.186 . . . . 20.0 111.167 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 109.852 -0.425 . . . . 20.0 109.852 169.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 29.1 p30 . . . . . 0 CA--C 1.555 1.139 0 CA-C-O 120.743 0.306 . . . . 20.0 111.183 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 483' ' ' HIS . . . . . 0.453 ' HB3' HD21 ' A' ' 509' ' ' LEU . 55.6 p-80 -161.15 178.55 9.18 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 116.432 -0.349 . . . . 20.0 110.635 177.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -138.5 157.73 45.61 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.966 -0.561 . . . . 20.0 110.299 170.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -101.13 136.19 41.39 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.329 -0.396 . . . . 20.0 110.699 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.7 tp -133.8 116.19 15.41 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.034 -0.53 . . . . 20.0 110.28 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 23.3 mt -85.74 123.43 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 120.944 0.402 . . . . 20.0 110.542 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.86 125.35 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 115.804 -0.635 . . . . 20.0 110.109 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 39.0 t0 50.66 39.37 21.47 Favored 'General case' 0 CA--C 1.565 1.538 0 CA-C-O 120.991 0.424 . . . . 20.0 111.03 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.43 -25.84 7.74 Favored Glycine 0 CA--C 1.546 2.029 0 CA-C-N 116.202 -0.454 . . . . 20.0 112.854 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 58.0 mtm-85 -82.62 134.37 35.17 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.759 0.279 . . . . 20.0 111.086 -177.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 63.2 t -80.07 117.95 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 110.094 -0.336 . . . . 20.0 110.094 170.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -100.37 156.45 17.24 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.158 -0.474 . . . . 20.0 110.226 173.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -121.18 124.62 45.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 20.0 110.099 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 5.6 mt -119.25 128.3 75.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-O 120.85 0.357 . . . . 20.0 110.988 -170.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 4.1 t -67.31 139.07 57.25 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.671 178.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 37.1 pt -69.13 -39.98 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 111.724 0.268 . . . . 20.0 111.724 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 45.6 t -60.89 -63.67 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 N-CA-C 111.798 0.296 . . . . 20.0 111.798 -175.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.4 p -105.09 -5.56 20.72 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 112.315 0.487 . . . . 20.0 112.315 -169.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 60.8 mttp 57.51 36.27 26.75 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 122.571 0.349 . . . . 20.0 111.758 -177.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -77.53 133.33 38.55 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 109.809 -0.441 . . . . 20.0 109.809 169.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 28.1 p -94.7 147.41 23.35 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.95 0.405 . . . . 20.0 111.24 -176.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -137.78 138.57 39.36 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.667 -0.697 . . . . 20.0 110.889 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 64.5 t -79.67 -16.94 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 116.046 -0.525 . . . . 20.0 110.927 177.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 75.7 m -135.36 138.4 43.31 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.447 -0.342 . . . . 20.0 110.982 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 17.2 mt -58.31 -35.3 71.66 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.421 -0.354 . . . . 20.0 110.646 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 36.6 p -51.29 -43.59 61.68 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 116.515 -0.311 . . . . 20.0 111.084 177.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 34.6 m -66.78 -40.54 88.21 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.427 -0.351 . . . . 20.0 110.954 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.453 HD21 ' HB3' ' A' ' 483' ' ' HIS . 7.8 tp -61.68 -48.16 82.07 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 116.497 -0.32 . . . . 20.0 110.93 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -47.17 82.41 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 120.683 0.278 . . . . 20.0 110.45 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -55.18 -38.93 68.97 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.058 -0.519 . . . . 20.0 110.966 174.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -74.96 -46.61 34.29 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-N 116.201 -0.454 . . . . 20.0 111.53 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -62.08 -23.28 66.41 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 122.41 -0.181 . . . . 20.0 111.42 -172.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -22.1 60.42 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-N 116.772 -0.194 . . . . 20.0 111.08 174.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 28.6 mt -78.09 -20.57 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 122.523 0.329 . . . . 20.0 111.085 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -96.61 -43.83 7.41 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.686 0.279 . . . . 20.0 111.007 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 81.6 p -79.53 -34.38 41.17 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.399 -0.364 . . . . 20.0 111.3 -176.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 58.6 m95 51.03 36.32 14.97 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 121.2 0.524 . . . . 20.0 110.8 -172.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -68.4 -29.78 68.54 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 115.826 -0.625 . . . . 20.0 111.22 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -127.57 131.68 49.95 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 116.39 -0.368 . . . . 20.0 110.444 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -98.15 143.28 28.84 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.194 -0.457 . . . . 20.0 110.701 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -124.09 79.88 58.43 Favored Pre-proline 0 CA--C 1.549 0.918 0 CA-C-N 116.067 -0.515 . . . . 20.0 110.135 172.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -79.33 154.11 24.55 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.849 2.366 . . . . 20.0 112.645 -174.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 46.9 t -92.64 143.15 26.6 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 115.814 -0.63 . . . . 20.0 110.684 177.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -76.81 -35.01 57.88 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 120.924 0.392 . . . . 20.0 110.749 176.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -80.77 -27.71 36.65 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 115.739 -0.664 . . . . 20.0 111.62 -170.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 18.8 p -141.78 162.47 35.41 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 120.692 0.282 . . . . 20.0 110.706 176.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -79.8 31.68 0.25 Allowed 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 120.736 0.303 . . . . 20.0 111.596 -174.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -92.83 152.98 19.13 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 120.766 0.317 . . . . 20.0 110.979 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 10.9 t -129.27 135.47 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 CA-C-N 115.956 -0.566 . . . . 20.0 110.611 173.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -105.65 153.6 39.8 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 116.116 -0.493 . . . . 20.0 110.745 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -85.41 -4.55 9.34 Favored 'Trans proline' 0 CA--C 1.552 1.392 0 C-N-CA 122.961 2.441 . . . . 20.0 112.623 175.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.7 mp -130.82 143.65 50.89 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.703 0.401 . . . . 20.0 110.155 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -70.82 -42.45 70.23 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 120.588 0.232 . . . . 20.0 111.189 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.3 -34.56 76.83 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.58 0.229 . . . . 20.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -63.95 -37.95 89.29 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.719 -0.219 . . . . 20.0 110.535 175.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 537' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -58.61 -51.31 70.47 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.952 0.406 . . . . 20.0 110.082 173.253 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 538' ' ' THR . . . . . 0.467 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 54.1 m -61.54 -56.04 24.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.833 -0.621 . . . . 20.0 111.193 -174.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -59.71 -36.88 77.44 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 116.799 -0.182 . . . . 20.0 110.91 -178.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -65.69 -46.86 77.44 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 120.708 0.29 . . . . 20.0 111.019 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -67.41 -30.38 70.13 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-O 120.62 0.248 . . . . 20.0 111.021 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 33.3 mt -63.35 -43.39 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 110.023 -0.362 . . . . 20.0 110.023 169.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -64.49 -31.13 72.21 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 116.289 -0.414 . . . . 20.0 111.087 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -68.88 -22.15 64.2 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 116.63 -0.259 . . . . 20.0 111.135 175.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 22.8 m -99.34 -30.94 11.93 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 116.489 -0.323 . . . . 20.0 111.101 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 83.81 17.06 66.45 Favored Glycine 0 CA--C 1.541 1.685 0 C-N-CA 121.528 -0.367 . . . . 20.0 112.378 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -58.5 123.11 15.11 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.881 0.372 . . . . 20.0 110.806 -176.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 44.4 mmt-85 -88.73 116.6 27.11 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.258 -0.428 . . . . 20.0 110.232 174.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -113.24 -32.35 6.32 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 116.101 -0.5 . . . . 20.0 111.194 -173.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -93.53 90.02 6.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.994 0.426 . . . . 20.0 110.414 -176.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -87.42 130.98 34.46 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.811 -177.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 45.9 t -76.14 154.0 35.78 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 116.295 -0.411 . . . . 20.0 110.078 171.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 83.8 mt -115.02 -20.03 10.66 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.528 -0.306 . . . . 20.0 111.298 -176.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.21 -50.1 17.27 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-O 120.522 0.201 . . . . 20.0 111.074 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 29.4 p -120.1 -9.56 9.57 Favored 'General case' 0 CA--C 1.564 1.502 0 N-CA-C 111.845 0.313 . . . . 20.0 111.845 -177.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 96.57 -12.76 66.07 Favored Glycine 0 CA--C 1.557 2.675 0 C-N-CA 121.148 -0.549 . . . . 20.0 113.499 171.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -56.11 127.84 32.58 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-N 117.189 0.494 . . . . 20.0 111.326 -176.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 68.6 m -104.69 142.77 34.1 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 120.78 0.324 . . . . 20.0 111.291 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -130.25 163.25 27.16 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.057 0.456 . . . . 20.0 111.428 -174.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 2.6 tt -82.89 -24.1 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 CA-C-N 115.98 -0.555 . . . . 20.0 111.794 -172.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 55.7 p30 -153.9 173.0 16.51 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-O 121.128 0.489 . . . . 20.0 111.507 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -62.91 -40.29 97.14 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.741 -0.663 . . . . 20.0 111.206 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -57.32 -45.47 84.2 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.356 -0.384 . . . . 20.0 111.022 -174.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -69.97 -45.36 67.55 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.611 -0.268 . . . . 20.0 110.963 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 565' ' ' MET . . . . . 0.456 ' SD ' HD12 ' A' ' 569' ' ' ILE . 12.5 tmm? -57.46 -50.97 71.3 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-O 120.577 0.227 . . . . 20.0 111.186 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 48.0 t -64.38 -43.99 92.74 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.674 -0.239 . . . . 20.0 110.777 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 34.1 t -57.72 -46.13 84.83 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.629 0.252 . . . . 20.0 110.806 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -61.34 -46.41 90.37 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.479 -0.328 . . . . 20.0 111.201 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 569' ' ' ILE . . . . . 0.456 HD12 ' SD ' ' A' ' 565' ' ' MET . 47.8 mt -62.64 -40.92 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-N 116.877 -0.147 . . . . 20.0 110.728 -178.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -66.14 -44.05 85.27 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 120.51 0.195 . . . . 20.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 68.5 m -75.63 -36.58 60.19 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.649 -0.251 . . . . 20.0 111.638 -174.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 77.6 t -96.92 -50.11 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 N-CA-C 111.487 0.18 . . . . 20.0 111.487 -171.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 . . . . . 0 CA--C 1.557 1.236 0 CA-C-N 116.607 -0.269 . . . . 20.0 111.604 -173.933 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 48.1 mt . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 120.474 0.178 . . . . 20.0 111.355 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -143.09 155.28 44.57 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.943 0.402 . . . . 20.0 111.001 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -134.73 129.21 34.34 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.964 -0.562 . . . . 20.0 110.153 178.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.5 tt -97.36 107.89 20.5 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.426 -0.352 . . . . 20.0 110.481 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -79.95 157.36 73.95 Favored Pre-proline 0 CA--C 1.552 1.02 0 CA-C-N 116.334 -0.394 . . . . 20.0 110.906 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -59.5 151.73 66.86 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.477 2.118 . . . . 20.0 112.045 177.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 47.3 t -75.95 117.05 17.27 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.68 0.276 . . . . 20.0 110.39 174.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -102.39 -28.94 11.93 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.036 -0.529 . . . . 20.0 111.336 -174.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 27.0 p -64.75 -28.12 69.36 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 111.782 0.29 . . . . 20.0 111.782 -173.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.4 pp -149.8 166.39 29.6 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 120.95 0.405 . . . . 20.0 111.256 -176.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.34 122.43 31.85 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.044 -0.525 . . . . 20.0 111.397 -172.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 29.0 pt -142.45 172.1 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-N 115.7 -0.682 . . . . 20.0 109.94 173.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -68.91 133.65 48.51 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.81 -0.441 . . . . 20.0 109.81 169.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -109.03 97.1 6.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.002 0.43 . . . . 20.0 110.38 -175.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -53.66 149.17 8.61 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.748 -0.66 . . . . 20.0 110.826 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -60.05 -19.38 52.57 Favored 'General case' 0 CA--C 1.557 1.222 0 N-CA-C 112.175 0.435 . . . . 20.0 112.175 -174.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -76.86 -20.4 56.34 Favored 'General case' 0 CA--C 1.555 1.153 0 O-C-N 122.326 -0.233 . . . . 20.0 111.031 176.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.547 0.841 0 CA-C-O 120.799 0.333 . . . . 20.0 110.514 169.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.678 0.275 . . . . 20.0 111.193 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 483' ' ' HIS . . . . . 0.461 ' HB3' HD21 ' A' ' 509' ' ' LEU . 57.0 p-80 -162.0 178.36 8.92 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.007 0.432 . . . . 20.0 111.415 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -137.99 159.12 42.87 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.419 -0.809 . . . . 20.0 109.704 169.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -98.44 136.31 38.76 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.843 0.354 . . . . 20.0 110.893 -175.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.9 tp -136.55 115.3 12.1 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.007 -0.542 . . . . 20.0 110.33 177.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 23.8 mt -86.22 124.47 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.886 0.374 . . . . 20.0 110.635 -178.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 49.2 t -136.17 125.17 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 115.829 -0.623 . . . . 20.0 110.126 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 36.1 t0 49.77 41.0 21.56 Favored 'General case' 0 CA--C 1.564 1.49 0 CA-C-O 121.067 0.461 . . . . 20.0 111.086 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.15 -22.63 14.15 Favored Glycine 0 CA--C 1.547 2.08 0 CA-C-N 116.216 -0.447 . . . . 20.0 113.004 176.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 57.2 mtt85 -88.23 136.36 33.02 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 116.905 0.352 . . . . 20.0 110.961 -176.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 92.0 t -80.8 117.22 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.131 171.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -96.87 150.0 21.23 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.285 172.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -114.3 117.96 32.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 20.0 110.052 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.8 mt -112.63 128.29 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-N 116.396 -0.366 . . . . 20.0 111.037 -170.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.5 t -64.36 135.15 55.88 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 116.235 -0.439 . . . . 20.0 110.787 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 12.8 pt -67.96 -40.81 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 N-CA-C 111.693 0.257 . . . . 20.0 111.693 -175.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.76 -63.54 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 N-CA-C 111.831 0.308 . . . . 20.0 111.831 -175.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 30.3 p -105.13 -2.74 23.89 Favored 'General case' 0 CA--C 1.563 1.45 0 CA-C-N 116.044 -0.525 . . . . 20.0 112.382 -169.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 58.04 40.65 25.18 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 122.616 0.367 . . . . 20.0 111.782 -177.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -82.41 130.86 35.2 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 116.366 -0.379 . . . . 20.0 110.182 169.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 37.1 p -95.42 152.23 18.58 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 120.941 0.4 . . . . 20.0 111.407 -176.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -142.68 144.52 32.77 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.742 -0.663 . . . . 20.0 111.13 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 92.5 t -79.27 -21.91 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 116.09 -0.504 . . . . 20.0 110.835 174.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 83.6 m -132.11 136.26 47.01 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.43 -0.35 . . . . 20.0 110.959 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 13.5 mt -56.25 -33.08 65.09 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-N 116.39 -0.368 . . . . 20.0 110.828 175.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 82.2 p -55.2 -40.71 71.08 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 116.491 -0.322 . . . . 20.0 110.926 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 6.2 m -70.53 -38.06 74.18 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.32 -0.4 . . . . 20.0 110.792 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 483' ' ' HIS . 1.2 tp -63.46 -47.25 82.58 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 116.416 -0.356 . . . . 20.0 110.842 177.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -47.0 84.88 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 120.679 0.276 . . . . 20.0 110.628 176.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -54.63 -46.92 73.99 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 116.13 -0.487 . . . . 20.0 110.907 175.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -70.91 -46.51 62.39 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.266 -0.425 . . . . 20.0 111.399 -176.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -61.95 -23.56 66.45 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.664 -0.244 . . . . 20.0 111.059 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -20.54 49.17 Favored 'General case' 0 CA--C 1.566 1.586 0 CA-C-N 116.596 -0.274 . . . . 20.0 111.215 174.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 25.6 mt -81.89 -18.75 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 122.493 0.317 . . . . 20.0 111.164 178.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -98.63 -46.46 5.7 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 120.748 0.309 . . . . 20.0 110.686 177.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 84.5 p -76.89 -34.64 57.74 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.201 -0.454 . . . . 20.0 111.365 -176.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 65.4 m95 53.03 37.58 25.08 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.365 0.603 . . . . 20.0 110.033 -169.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -60.29 -37.12 79.52 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.433 -0.803 . . . . 20.0 110.951 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -134.5 122.6 22.66 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 116.231 -0.441 . . . . 20.0 110.612 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -89.99 149.62 22.48 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.522 -0.308 . . . . 20.0 110.732 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -127.76 79.94 72.78 Favored Pre-proline 0 CA--C 1.551 1.019 0 CA-C-N 116.145 -0.479 . . . . 20.0 110.685 177.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -69.82 150.43 67.84 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.84 2.36 . . . . 20.0 112.607 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 44.0 t -90.91 144.45 25.67 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 115.958 -0.564 . . . . 20.0 110.487 174.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -77.93 -39.99 41.07 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 120.79 0.329 . . . . 20.0 110.978 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -80.27 -20.91 43.35 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-N 115.988 -0.551 . . . . 20.0 111.897 -169.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.5 p -145.06 163.92 32.78 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 120.787 0.327 . . . . 20.0 110.693 174.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -80.78 29.63 0.32 Allowed 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 120.751 0.31 . . . . 20.0 111.756 -174.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -88.17 149.25 23.99 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 116.536 -0.302 . . . . 20.0 110.953 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 27.0 t -125.77 133.88 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-N 116.233 -0.439 . . . . 20.0 110.49 172.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -103.31 151.26 38.55 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-N 116.186 -0.461 . . . . 20.0 110.692 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -84.86 -2.97 9.77 Favored 'Trans proline' 0 CA--C 1.554 1.516 0 C-N-CA 122.902 2.401 . . . . 20.0 112.345 173.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 7.0 mp -131.63 135.64 47.1 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.872 0.469 . . . . 20.0 110.126 177.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.6 -42.26 87.16 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 120.542 0.211 . . . . 20.0 111.2 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -62.28 -35.35 78.74 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 116.568 -0.287 . . . . 20.0 110.981 -179.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -66.39 -35.9 81.49 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.577 -0.283 . . . . 20.0 110.751 176.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 537' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -59.54 -50.42 73.95 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.541 -0.3 . . . . 20.0 110.264 172.455 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 538' ' ' THR . . . . . 0.433 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 6.0 m -59.56 -53.57 56.55 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.324 -0.398 . . . . 20.0 110.724 -176.434 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -56.23 -40.05 73.5 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 116.593 -0.276 . . . . 20.0 110.979 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -67.15 -44.76 78.97 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-O 120.655 0.264 . . . . 20.0 111.198 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -69.39 -29.56 67.35 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-O 120.505 0.193 . . . . 20.0 111.085 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 36.7 mt -64.39 -30.83 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-O 120.715 0.293 . . . . 20.0 110.493 170.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 543' ' ' HIS . . . . . 0.42 ' HA ' HD11 ' A' ' 560' ' ' ILE . 1.9 t-80 -76.38 -28.57 56.79 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.343 -0.389 . . . . 20.0 111.126 177.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -74.3 -43.38 56.99 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 120.76 0.314 . . . . 20.0 110.781 174.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 23.6 p -83.13 -16.03 48.39 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 116.189 -0.459 . . . . 20.0 111.29 -176.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 72.59 17.01 77.73 Favored Glycine 0 CA--C 1.544 1.862 0 C-N-CA 121.543 -0.36 . . . . 20.0 112.749 175.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -58.84 124.29 19.33 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 120.906 0.384 . . . . 20.0 111.07 -175.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -100.2 80.08 2.23 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.203 -0.453 . . . . 20.0 110.689 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -76.77 -29.96 56.32 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-N 116.231 -0.441 . . . . 20.0 111.53 -174.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -94.02 100.01 12.21 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.825 0.345 . . . . 20.0 110.678 -172.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -101.37 132.65 46.84 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.328 -0.396 . . . . 20.0 111.122 -174.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 49.5 t -70.33 149.75 47.04 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.046 -0.525 . . . . 20.0 110.237 169.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 91.8 mt -105.92 -16.58 14.6 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 120.543 0.211 . . . . 20.0 111.35 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.1 -48.6 23.02 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 116.77 -0.195 . . . . 20.0 111.05 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 28.1 p -120.07 -2.84 10.16 Favored 'General case' 0 CA--C 1.561 1.403 0 N-CA-C 111.871 0.323 . . . . 20.0 111.871 -176.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 81.28 -3.43 77.44 Favored Glycine 0 CA--C 1.556 2.611 0 C-N-CA 121.019 -0.61 . . . . 20.0 113.594 172.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -68.89 141.71 54.97 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 117.424 0.612 . . . . 20.0 111.051 -176.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 17.0 m -109.28 138.64 45.33 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 116.3 -0.409 . . . . 20.0 111.14 -175.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -124.04 157.21 35.02 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 116.027 -0.533 . . . . 20.0 110.953 -175.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 560' ' ' ILE . . . . . 0.42 HD11 ' HA ' ' A' ' 543' ' ' HIS . 1.6 tt -73.87 -26.04 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 116.038 -0.528 . . . . 20.0 111.63 -171.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 38.6 p30 -156.21 169.78 23.75 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-O 121.132 0.492 . . . . 20.0 111.171 -176.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -60.8 -35.7 77.16 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.871 -0.604 . . . . 20.0 111.288 -177.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -65.49 -45.72 82.51 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.557 -0.292 . . . . 20.0 110.992 -174.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -64.88 -44.38 89.85 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.597 -0.274 . . . . 20.0 110.617 176.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 33.7 ttp -56.93 -48.38 78.44 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.493 -0.321 . . . . 20.0 110.923 178.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 39.8 t -62.34 -46.93 86.48 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.477 -0.329 . . . . 20.0 110.772 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 17.7 t -59.4 -41.12 88.67 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.483 -0.326 . . . . 20.0 110.824 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -63.83 -48.06 78.3 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.338 -0.392 . . . . 20.0 111.027 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.94 -38.18 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 120.646 0.26 . . . . 20.0 110.677 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -68.01 -45.51 73.83 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.432 -0.349 . . . . 20.0 111.032 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 25.0 p -76.59 -35.06 58.36 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 111.934 0.346 . . . . 20.0 111.934 -173.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 72.9 t -96.2 -47.18 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 N-CA-C 111.427 0.158 . . . . 20.0 111.427 -172.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 . . . . . 0 CA--C 1.551 0.987 0 CA-C-N 116.664 -0.244 . . . . 20.0 111.534 -173.107 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.642 0.258 . . . . 20.0 111.328 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -152.68 165.22 35.97 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.004 0.43 . . . . 20.0 111.451 -173.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -140.36 133.55 29.62 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.845 -0.616 . . . . 20.0 110.398 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -98.58 107.28 19.7 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 116.452 -0.34 . . . . 20.0 110.522 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -79.92 160.54 68.64 Favored Pre-proline 0 CA--C 1.553 1.079 0 CA-C-N 116.165 -0.471 . . . . 20.0 110.909 -178.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -60.04 149.31 85.22 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 122.626 2.217 . . . . 20.0 112.384 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 18.2 t -84.52 112.37 20.34 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.245 -0.434 . . . . 20.0 110.372 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 52.1 mmm-85 -105.51 -34.83 7.66 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 116.517 -0.31 . . . . 20.0 111.27 -172.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 32.3 m -67.87 -23.19 65.1 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 115.915 -0.584 . . . . 20.0 111.807 -170.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 3.4 mt -102.02 175.09 5.65 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.169 0.509 . . . . 20.0 111.478 -178.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -108.55 98.07 7.64 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.317 -0.856 . . . . 20.0 109.733 169.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 17.8 pt -140.67 171.74 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 116.261 -0.427 . . . . 20.0 110.607 -175.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -75.57 140.93 42.98 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 110.137 -0.32 . . . . 20.0 110.137 171.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -112.64 97.98 6.94 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.951 0.405 . . . . 20.0 110.881 -170.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -55.13 137.77 45.99 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.055 -0.52 . . . . 20.0 110.768 178.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -67.9 -15.59 63.69 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 112.045 0.387 . . . . 20.0 112.045 -171.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -76.53 -16.47 59.62 Favored 'General case' 0 CA--C 1.554 1.126 0 O-C-N 122.453 -0.154 . . . . 20.0 111.293 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.2 mm? . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 120.587 0.232 . . . . 20.0 110.592 171.193 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 CA--C 1.555 1.17 0 CA-C-O 120.676 0.274 . . . . 20.0 111.467 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -153.81 168.78 25.18 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.83 0.347 . . . . 20.0 110.914 177.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -133.55 156.48 47.72 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.95 -0.568 . . . . 20.0 110.067 169.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -109.21 126.67 53.54 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.015 0.436 . . . . 20.0 110.84 -174.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.4 tp -121.05 113.8 20.57 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.742 -0.663 . . . . 20.0 110.184 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 24.8 mt -85.04 122.7 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 120.88 0.371 . . . . 20.0 110.494 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 46.1 t -134.92 125.31 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 115.867 -0.606 . . . . 20.0 110.137 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 37.1 t0 50.07 39.01 18.2 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 121.012 0.434 . . . . 20.0 111.073 -178.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.27 -17.28 43.89 Favored Glycine 0 CA--C 1.55 2.254 0 CA-C-N 116.27 -0.423 . . . . 20.0 113.014 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -92.1 135.21 34.16 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 116.956 0.378 . . . . 20.0 111.124 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 70.4 t -80.04 122.47 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 116.377 -0.374 . . . . 20.0 110.153 172.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -109.23 114.75 28.71 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.44 -0.346 . . . . 20.0 110.567 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -79.83 124.18 28.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.331 -0.395 . . . . 20.0 110.17 177.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.0 mt -118.64 131.69 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-O 120.837 0.351 . . . . 20.0 110.87 -172.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 5.5 t -67.39 135.57 53.39 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.04 -0.527 . . . . 20.0 110.617 176.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 42.7 pt -68.31 -39.55 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 N-CA-C 111.549 0.203 . . . . 20.0 111.549 -176.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 44.9 t -60.91 -64.27 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 111.96 0.355 . . . . 20.0 111.96 -176.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 31.5 p -104.98 -6.29 20.2 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 112.459 0.54 . . . . 20.0 112.459 -169.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 60.51 38.44 19.03 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 122.643 0.377 . . . . 20.0 111.881 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -80.98 129.41 34.52 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 110.012 -0.366 . . . . 20.0 110.012 169.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 30.9 p -93.65 144.43 25.4 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 120.942 0.401 . . . . 20.0 111.372 -175.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -135.89 135.7 39.91 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.739 -0.664 . . . . 20.0 110.819 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 50.7 t -72.98 -18.35 18.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 116.062 -0.517 . . . . 20.0 110.966 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 86.4 m -127.92 164.92 21.23 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 120.931 0.396 . . . . 20.0 110.88 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 10.4 mt -82.13 -33.05 29.81 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.189 -0.46 . . . . 20.0 110.618 172.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 40.7 p -60.04 -40.09 88.19 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 116.624 -0.262 . . . . 20.0 111.232 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 2.6 p -70.47 -36.74 74.06 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.604 -0.271 . . . . 20.0 111.043 177.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 2.8 tp -64.67 -47.2 79.3 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 116.75 -0.204 . . . . 20.0 110.838 175.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -54.91 -49.99 69.89 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 120.745 0.307 . . . . 20.0 110.551 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -55.0 -47.47 74.62 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 115.924 -0.58 . . . . 20.0 110.842 175.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -66.58 -45.59 78.76 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.175 -0.466 . . . . 20.0 111.51 -174.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -61.14 -23.79 65.8 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 120.497 0.189 . . . . 20.0 111.353 -173.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -24.93 63.62 Favored 'General case' 0 CA--C 1.563 1.444 0 CA-C-N 116.808 -0.178 . . . . 20.0 111.089 175.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 32.3 mt -75.13 -21.29 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 122.443 0.297 . . . . 20.0 111.144 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -95.89 -42.0 8.52 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.686 0.279 . . . . 20.0 111.042 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 95.7 p -73.95 -37.34 64.58 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.509 -0.314 . . . . 20.0 111.289 -176.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 70.4 m95 50.27 30.84 4.69 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.181 0.515 . . . . 20.0 110.513 -169.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.06 -33.21 70.03 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.875 -0.602 . . . . 20.0 110.657 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -126.31 116.82 21.82 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.055 -0.521 . . . . 20.0 110.393 177.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -93.86 147.06 23.43 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.353 -0.385 . . . . 20.0 110.754 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -122.68 80.01 48.2 Favored Pre-proline 0 CA--C 1.547 0.843 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.271 176.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -76.02 136.28 18.21 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.787 2.325 . . . . 20.0 112.449 -177.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.83 142.16 57.43 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.881 -0.599 . . . . 20.0 110.664 176.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -76.94 -33.16 57.71 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 116.686 -0.234 . . . . 20.0 111.172 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -87.98 -19.93 26.55 Favored 'General case' 0 CA--C 1.56 1.36 0 N-CA-C 112.073 0.397 . . . . 20.0 112.073 -172.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.1 p -144.75 170.25 16.47 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-O 120.833 0.349 . . . . 20.0 110.905 177.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -80.46 3.38 21.64 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 111.941 0.348 . . . . 20.0 111.941 -173.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -68.17 142.35 55.74 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 120.772 0.32 . . . . 20.0 111.013 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 15.9 t -120.82 134.65 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-N 116.137 -0.483 . . . . 20.0 110.679 175.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -106.02 150.28 39.1 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.02 -0.536 . . . . 20.0 110.609 177.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -84.15 -5.43 10.36 Favored 'Trans proline' 0 CA--C 1.55 1.313 0 C-N-CA 122.848 2.365 . . . . 20.0 112.57 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 9.5 mp -130.95 143.75 50.96 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.77 0.428 . . . . 20.0 110.092 177.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.07 -46.31 78.17 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 120.672 0.272 . . . . 20.0 111.054 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.03 -36.44 79.56 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 116.615 -0.266 . . . . 20.0 111.128 -177.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -64.38 -39.06 93.13 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.431 0.158 . . . . 20.0 110.718 177.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -49.54 71.96 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.609 -0.268 . . . . 20.0 110.327 173.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 36.3 m -52.83 -56.15 17.87 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.494 -0.321 . . . . 20.0 110.845 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -61.73 -33.3 73.81 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.745 -0.207 . . . . 20.0 111.044 -177.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -70.56 -40.4 73.37 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 120.635 0.255 . . . . 20.0 110.851 177.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -67.19 -32.47 73.57 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 122.335 -0.228 . . . . 20.0 110.671 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 38.8 mt -65.45 -25.05 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 CA-C-O 120.725 0.298 . . . . 20.0 110.69 171.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -74.97 -26.26 59.46 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.376 -0.375 . . . . 20.0 110.976 173.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -79.15 -42.28 26.56 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 120.536 0.207 . . . . 20.0 110.98 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 67.9 p -72.09 -35.34 69.18 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 120.599 0.237 . . . . 20.0 110.792 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 88.33 11.32 66.96 Favored Glycine 0 CA--C 1.54 1.616 0 CA-C-N 116.398 -0.365 . . . . 20.0 112.442 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -65.37 132.69 49.64 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 120.853 0.359 . . . . 20.0 110.976 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -87.13 143.21 27.4 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.894 0.378 . . . . 20.0 110.675 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.25 -53.98 2.57 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 116.042 -0.526 . . . . 20.0 110.898 -177.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -105.06 124.3 49.29 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.179 -0.464 . . . . 20.0 110.97 -175.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -102.08 131.04 48.78 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.334 -0.394 . . . . 20.0 110.462 174.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 43.7 t -68.92 144.41 54.19 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.292 -0.413 . . . . 20.0 110.047 172.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 86.5 mt -102.67 -16.31 16.07 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 120.525 0.203 . . . . 20.0 111.364 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.23 -49.14 20.31 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-N 116.695 -0.23 . . . . 20.0 111.15 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 31.0 p -120.07 -5.24 10.02 Favored 'General case' 0 CA--C 1.563 1.45 0 N-CA-C 111.968 0.358 . . . . 20.0 111.968 -175.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 84.8 -2.87 87.87 Favored Glycine 0 CA--C 1.557 2.703 0 C-N-CA 121.099 -0.572 . . . . 20.0 113.557 173.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -72.4 137.4 46.49 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 117.296 0.548 . . . . 20.0 111.026 -177.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 50.4 m -109.71 147.33 33.34 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 120.893 0.378 . . . . 20.0 111.328 -175.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -129.7 161.16 31.27 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 116.115 -0.493 . . . . 20.0 111.133 -174.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -82.81 -24.6 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 116.32 -0.4 . . . . 20.0 111.869 -170.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -153.47 173.35 15.8 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 121.136 0.493 . . . . 20.0 111.403 -176.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -66.42 -35.64 80.82 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.754 -0.657 . . . . 20.0 111.172 -174.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -62.18 -43.83 97.96 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 116.409 -0.36 . . . . 20.0 110.786 -177.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -67.93 -49.44 61.84 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.535 -0.302 . . . . 20.0 111.176 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -40.62 97.84 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.539 0.209 . . . . 20.0 110.75 -176.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 39.7 t -64.22 -47.77 78.4 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.595 -0.275 . . . . 20.0 110.789 177.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 24.4 t -59.83 -40.74 89.51 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.469 -0.332 . . . . 20.0 111.048 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -64.97 -48.11 75.21 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 116.468 -0.333 . . . . 20.0 111.278 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.52 -36.24 77.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-O 120.611 0.244 . . . . 20.0 110.619 -177.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -67.3 -47.28 71.07 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.56 -0.291 . . . . 20.0 110.981 176.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 39.1 m -72.52 -37.61 68.3 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 111.798 0.295 . . . . 20.0 111.798 -174.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 71.4 t -97.99 -47.17 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 N-CA-C 111.513 0.19 . . . . 20.0 111.513 -170.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 . . . . . 0 CA--C 1.553 1.084 0 CA-C-N 116.693 -0.23 . . . . 20.0 111.469 -173.955 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.874 0.369 . . . . 20.0 110.901 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -145.88 161.23 40.49 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 120.918 0.389 . . . . 20.0 110.858 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -136.27 138.71 42.05 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.947 -0.57 . . . . 20.0 110.499 177.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 tt -94.51 128.19 40.93 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 116.356 -0.384 . . . . 20.0 110.719 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -107.1 151.68 40.81 Favored Pre-proline 0 N--CA 1.487 1.378 0 CA-C-N 116.537 -0.301 . . . . 20.0 110.874 178.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -66.18 152.15 81.87 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 122.701 2.268 . . . . 20.0 112.705 -176.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 50.6 t -95.46 129.8 42.5 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.119 -0.491 . . . . 20.0 110.673 178.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.52 -12.5 2.69 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 116.206 -0.452 . . . . 20.0 111.913 -174.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 47.0 p -69.63 -26.09 64.25 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 111.478 0.177 . . . . 20.0 111.478 -176.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.0 pp -142.9 164.42 30.13 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 120.885 0.374 . . . . 20.0 110.753 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -83.63 109.89 17.81 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 116.158 -0.474 . . . . 20.0 111.528 -170.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 19.4 pt -145.65 167.3 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 CA-C-N 115.721 -0.672 . . . . 20.0 109.869 170.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -72.52 140.34 48.11 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 110.082 -0.34 . . . . 20.0 110.082 175.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -125.36 115.76 20.83 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.089 0.471 . . . . 20.0 110.727 -177.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -69.89 161.87 29.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.65 -0.705 . . . . 20.0 111.254 -176.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -67.4 -10.1 48.04 Favored 'General case' 0 CA--C 1.561 1.388 0 CA-C-N 116.203 -0.453 . . . . 20.0 111.886 -177.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -86.18 -24.06 26.28 Favored 'General case' 0 CA--C 1.556 1.183 0 O-C-N 122.41 -0.181 . . . . 20.0 110.861 174.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.877 0.37 . . . . 20.0 110.143 169.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 22.4 p30 . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 111.559 0.207 . . . . 20.0 111.559 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 483' ' ' HIS . . . . . 0.536 ' HB3' HD21 ' A' ' 509' ' ' LEU . 53.4 p-80 -161.21 176.04 11.69 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.078 0.466 . . . . 20.0 111.659 -179.148 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -136.65 158.49 44.31 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.368 -0.833 . . . . 20.0 109.564 169.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 54.2 mp0 -101.81 134.1 45.52 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.922 0.391 . . . . 20.0 110.91 -175.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 14.4 tp -134.31 117.83 16.84 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.889 -0.596 . . . . 20.0 110.331 -178.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 32.7 mt -88.12 122.74 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-O 120.87 0.367 . . . . 20.0 110.468 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 40.3 t -136.96 128.94 43.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 115.83 -0.623 . . . . 20.0 110.111 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 53.12 35.95 21.08 Favored 'General case' 0 CA--C 1.565 1.528 0 CA-C-O 120.969 0.414 . . . . 20.0 111.171 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.76 2.11 87.87 Favored Glycine 0 CA--C 1.549 2.163 0 CA-C-N 116.391 -0.368 . . . . 20.0 112.929 177.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -110.3 136.71 49.07 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.485 0.314 . . . . 20.0 110.71 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 97.0 t -80.03 120.88 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-O 120.742 0.306 . . . . 20.0 110.219 174.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -103.74 150.33 24.16 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.281 173.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -114.95 118.69 34.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.172 -0.467 . . . . 20.0 109.991 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.4 mt -112.78 126.63 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-O 120.795 0.331 . . . . 20.0 110.962 -170.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.1 t -64.22 135.13 55.99 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.172 -0.467 . . . . 20.0 110.589 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 29.0 pt -69.86 -37.42 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-N 116.551 -0.295 . . . . 20.0 111.71 -175.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.83 -64.75 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 CA-C-O 120.708 0.289 . . . . 20.0 111.751 -176.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 27.7 p -105.16 -3.1 23.4 Favored 'General case' 0 CA--C 1.559 1.303 0 CA-C-N 116.012 -0.54 . . . . 20.0 112.339 -169.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt 57.84 41.16 25.25 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 122.602 0.361 . . . . 20.0 111.689 -175.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -81.48 131.09 35.27 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 116.215 -0.448 . . . . 20.0 110.194 169.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 28.4 p -93.22 145.23 24.58 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 120.951 0.405 . . . . 20.0 111.238 -177.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -137.86 143.03 40.73 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.793 -0.639 . . . . 20.0 110.956 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 85.5 t -84.71 -15.07 11.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 CA-C-N 115.892 -0.595 . . . . 20.0 110.939 177.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 96.5 m -136.35 134.25 37.67 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.798 0.332 . . . . 20.0 110.915 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.5 -41.27 93.95 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.238 -0.437 . . . . 20.0 111.257 -178.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 15.7 p -58.81 -33.83 70.81 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 120.602 0.239 . . . . 20.0 110.986 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 3.8 t -71.11 -40.63 71.37 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.438 -0.346 . . . . 20.0 110.796 176.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 483' ' ' HIS . 1.4 tp -63.44 -44.97 92.98 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.259 -0.428 . . . . 20.0 110.929 175.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 47.7 mmm-85 -61.82 -43.93 97.86 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 120.666 0.27 . . . . 20.0 110.54 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -52.38 -43.96 65.02 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.082 -0.508 . . . . 20.0 110.653 172.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -73.2 -42.25 62.89 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 116.194 -0.457 . . . . 20.0 111.428 -177.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -63.11 -26.95 69.06 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 120.506 0.193 . . . . 20.0 111.321 -174.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -16.38 58.58 Favored 'General case' 0 CA--C 1.567 1.633 0 CA-C-N 116.753 -0.203 . . . . 20.0 111.174 176.071 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 33.7 mt -80.19 -21.03 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 122.426 0.291 . . . . 20.0 110.962 176.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -93.0 -42.21 9.57 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.653 0.263 . . . . 20.0 110.889 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 92.8 p -80.18 -32.97 38.65 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.24 -0.436 . . . . 20.0 111.36 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 69.8 m95 50.74 34.6 10.3 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 121.211 0.529 . . . . 20.0 110.404 -169.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -60.52 -36.43 78.37 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.7 -0.682 . . . . 20.0 111.089 178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -137.21 123.82 21.01 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.176 -0.465 . . . . 20.0 110.387 -177.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -95.66 146.39 24.53 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 116.145 -0.48 . . . . 20.0 110.735 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -120.8 79.87 32.24 Favored Pre-proline 0 CA--C 1.547 0.837 0 CA-C-N 116.074 -0.512 . . . . 20.0 110.293 174.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.79 141.49 21.71 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.766 2.311 . . . . 20.0 112.552 -176.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 49.2 t -72.69 142.29 48.23 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.762 -0.654 . . . . 20.0 110.46 173.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -80.56 -31.97 36.73 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-O 120.561 0.22 . . . . 20.0 111.006 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -84.36 -21.19 30.98 Favored 'General case' 0 CA--C 1.558 1.252 0 CA-C-N 116.371 -0.377 . . . . 20.0 111.837 -172.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.1 p -145.1 170.0 17.05 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.757 0.313 . . . . 20.0 110.772 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.32 7.84 8.73 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 112.026 0.38 . . . . 20.0 112.026 -173.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -71.61 144.28 49.52 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-O 120.715 0.293 . . . . 20.0 111.116 -177.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 17.7 t -125.33 137.96 55.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-N 116.185 -0.462 . . . . 20.0 110.725 176.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -112.51 149.21 40.74 Favored Pre-proline 0 CA--C 1.543 0.685 0 CA-C-N 116.044 -0.525 . . . . 20.0 110.771 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -84.74 -4.62 9.9 Favored 'Trans proline' 0 CA--C 1.557 1.635 0 C-N-CA 122.981 2.454 . . . . 20.0 112.595 174.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.2 mp -127.54 145.01 51.0 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.719 0.408 . . . . 20.0 110.131 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -73.14 -35.56 66.52 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-O 120.478 0.18 . . . . 20.0 111.222 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -60.35 -39.22 86.34 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.844 0.354 . . . . 20.0 110.556 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -69.55 -31.56 69.84 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.278 -0.419 . . . . 20.0 110.728 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 537' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.3 OUTLIER -60.04 -61.3 2.71 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.877 0.37 . . . . 20.0 110.176 170.466 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 538' ' ' THR . . . . . 0.475 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 39.9 m -57.74 -51.03 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.889 -0.596 . . . . 20.0 111.079 -172.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -64.45 -35.56 81.31 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 116.657 -0.247 . . . . 20.0 111.03 -174.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -69.72 -41.82 74.83 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-O 120.653 0.264 . . . . 20.0 110.892 176.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -67.3 -32.55 73.61 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 122.419 -0.176 . . . . 20.0 110.91 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 24.9 mt -64.0 -29.39 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-O 120.837 0.351 . . . . 20.0 110.701 171.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -26.72 61.79 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 116.341 -0.39 . . . . 20.0 110.902 176.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -79.3 -42.41 25.83 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-O 120.536 0.208 . . . . 20.0 111.072 175.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 80.8 p -75.65 -20.61 58.36 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 120.521 0.2 . . . . 20.0 111.206 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 77.44 12.19 84.77 Favored Glycine 0 CA--C 1.542 1.734 0 C-N-CA 121.536 -0.364 . . . . 20.0 112.443 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -60.93 119.81 8.97 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 120.949 0.404 . . . . 20.0 111.261 -174.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -74.65 146.73 42.15 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.197 -0.456 . . . . 20.0 110.442 173.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 -125.84 -53.98 1.53 Allowed 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 116.19 -0.459 . . . . 20.0 111.112 -177.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -100.33 117.27 34.18 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.662 -173.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -105.26 132.11 51.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.381 -0.372 . . . . 20.0 110.662 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 42.5 t -69.41 144.84 53.25 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.25 -0.432 . . . . 20.0 110.01 172.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 92.3 mt -102.14 -15.99 16.52 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 120.536 0.208 . . . . 20.0 111.334 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.08 -48.88 21.67 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.622 -0.263 . . . . 20.0 111.123 177.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 31.9 p -120.11 -4.03 10.06 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 111.957 0.354 . . . . 20.0 111.957 -175.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 83.42 -0.59 89.58 Favored Glycine 0 CA--C 1.557 2.702 0 C-N-CA 121.085 -0.579 . . . . 20.0 113.598 172.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -70.72 137.18 49.5 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 117.304 0.552 . . . . 20.0 111.089 -176.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 51.1 m -105.16 147.78 27.59 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 116.337 -0.392 . . . . 20.0 111.156 -177.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -132.62 157.49 44.65 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.033 -0.531 . . . . 20.0 110.886 -177.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.8 tt -78.57 -25.05 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 CA-C-N 116.289 -0.414 . . . . 20.0 111.593 -174.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 34.1 p30 -151.64 170.97 18.39 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-O 120.967 0.413 . . . . 20.0 111.041 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -67.82 -36.08 79.75 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.118 -0.492 . . . . 20.0 111.108 -175.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -59.48 -46.92 87.42 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.611 -0.268 . . . . 20.0 111.076 -175.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -64.03 -46.33 84.91 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.645 -0.252 . . . . 20.0 110.869 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -60.02 -46.6 88.96 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.584 -0.28 . . . . 20.0 110.818 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 25.0 t -58.65 -49.14 78.61 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.496 -0.32 . . . . 20.0 110.851 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 22.2 t -59.55 -42.51 92.54 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.403 -0.362 . . . . 20.0 111.018 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -62.84 -50.29 71.52 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.517 -0.31 . . . . 20.0 111.226 -178.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 19.9 mt -66.84 -35.29 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-O 120.486 0.184 . . . . 20.0 110.655 -176.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -67.5 -44.42 78.52 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.729 -0.214 . . . . 20.0 111.004 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 23.6 t -74.77 -39.33 61.85 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.649 -0.251 . . . . 20.0 111.575 -175.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 72.3 t -93.03 -48.26 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 N-CA-C 111.517 0.192 . . . . 20.0 111.517 -170.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 . . . . . 0 CA--C 1.551 1.017 0 CA-C-N 116.651 -0.249 . . . . 20.0 111.489 -172.962 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 120.543 0.211 . . . . 20.0 111.538 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -148.01 166.75 26.8 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 120.937 0.398 . . . . 20.0 111.138 -178.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -142.1 137.74 31.2 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.96 -0.564 . . . . 20.0 110.604 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.89 123.75 38.54 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 116.406 -0.361 . . . . 20.0 110.565 -178.128 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -100.88 153.99 37.41 Favored Pre-proline 0 N--CA 1.481 1.122 0 CA-C-N 116.551 -0.295 . . . . 20.0 110.897 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -60.94 144.11 99.5 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 122.589 2.193 . . . . 20.0 112.584 -177.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -91.09 124.54 35.39 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.151 -0.477 . . . . 20.0 110.157 173.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -129.5 -8.97 4.62 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 111.862 0.319 . . . . 20.0 111.862 -173.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 90.9 p -66.4 -23.62 66.34 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 120.531 0.205 . . . . 20.0 111.25 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -141.64 167.08 23.0 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.441 -0.345 . . . . 20.0 110.405 173.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -93.43 89.85 6.49 Favored 'General case' 0 CA--C 1.558 1.253 0 CA-C-O 120.955 0.407 . . . . 20.0 111.974 -169.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 33.8 pt -105.17 171.89 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 CA-C-N 115.962 -0.563 . . . . 20.0 110.442 169.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -74.03 139.08 44.48 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.933 -0.395 . . . . 20.0 109.933 169.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -109.19 97.77 7.32 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.952 0.406 . . . . 20.0 110.888 -170.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -59.36 143.43 49.56 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.619 178.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -68.3 -9.96 51.33 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 116.341 -0.39 . . . . 20.0 111.629 -175.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -74.53 -17.2 60.78 Favored 'General case' 0 CA--C 1.56 1.356 0 O-C-N 122.396 -0.19 . . . . 20.0 111.073 174.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.858 0.361 . . . . 20.0 110.224 169.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 50.7 p-10 . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.656 0.265 . . . . 20.0 111.275 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -159.42 175.99 12.65 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.06 0.457 . . . . 20.0 111.45 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -134.76 155.19 51.02 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.366 -0.834 . . . . 20.0 109.491 169.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -98.5 134.08 41.97 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.879 0.371 . . . . 20.0 110.836 -175.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 14.3 tp -133.33 115.76 15.29 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.988 -0.551 . . . . 20.0 110.34 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 34.6 mt -87.48 122.29 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-O 120.95 0.405 . . . . 20.0 110.434 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 44.0 t -136.49 128.26 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-N 115.829 -0.623 . . . . 20.0 110.204 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.1 t0 53.04 36.38 21.99 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 120.901 0.382 . . . . 20.0 111.213 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 80.19 0.34 85.9 Favored Glycine 0 CA--C 1.55 2.272 0 C-N-CA 121.547 -0.359 . . . . 20.0 112.95 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -107.79 136.33 47.7 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.491 0.316 . . . . 20.0 110.646 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 95.3 t -80.0 122.54 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-O 120.701 0.286 . . . . 20.0 110.231 173.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -106.38 152.12 24.0 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.239 -0.437 . . . . 20.0 110.193 172.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -117.08 119.17 34.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 20.0 110.018 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.1 mt -112.13 124.68 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 116.477 -0.328 . . . . 20.0 110.808 -171.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.6 t -63.56 137.2 58.03 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.283 -0.417 . . . . 20.0 110.564 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 29.4 pt -69.51 -38.86 77.71 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 CA-C-N 116.644 -0.253 . . . . 20.0 111.642 -176.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.01 -65.48 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 111.857 0.318 . . . . 20.0 111.857 -177.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 26.7 p -105.09 -4.59 21.73 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 116.05 -0.523 . . . . 20.0 112.374 -169.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt 59.28 38.07 23.36 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.56 0.344 . . . . 20.0 111.902 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -79.71 129.09 34.17 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 109.889 -0.412 . . . . 20.0 109.889 169.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 21.7 p -91.28 140.45 29.78 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 116.36 -0.382 . . . . 20.0 111.122 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -132.93 141.53 48.4 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.998 -0.546 . . . . 20.0 110.9 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 72.0 t -79.34 -19.28 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 116.166 -0.47 . . . . 20.0 110.898 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 85.1 m -132.67 136.42 46.44 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.729 0.299 . . . . 20.0 111.155 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.13 -34.92 74.19 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.348 -0.387 . . . . 20.0 110.835 176.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 36.0 p -55.22 -38.66 68.73 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 116.755 -0.202 . . . . 20.0 111.011 178.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 14.7 m -67.83 -41.2 83.36 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.496 -0.32 . . . . 20.0 110.898 177.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.63 -49.19 77.57 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.441 -0.345 . . . . 20.0 110.986 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -46.69 88.77 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.594 0.235 . . . . 20.0 110.584 -178.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -54.36 -46.22 72.92 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 116.187 -0.461 . . . . 20.0 110.777 173.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -70.72 -42.19 70.9 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 116.233 -0.44 . . . . 20.0 111.415 -173.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -59.7 -23.66 63.32 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 116.732 -0.213 . . . . 20.0 111.492 -172.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -58.79 -31.36 68.34 Favored 'General case' 0 CA--C 1.56 1.348 0 CA-C-O 120.583 0.23 . . . . 20.0 111.013 175.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 26.4 mt -65.22 -18.92 24.7 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.376 0 CA-C-O 120.597 0.236 . . . . 20.0 111.055 178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -101.11 -45.84 5.26 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 120.611 0.243 . . . . 20.0 111.163 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 92.5 p -78.98 -35.03 43.64 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.487 -0.324 . . . . 20.0 111.538 -173.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 69.4 m95 52.11 36.52 19.2 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-O 121.109 0.48 . . . . 20.0 110.997 -173.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -66.15 -34.66 78.54 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.899 -0.591 . . . . 20.0 111.413 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -131.58 135.01 46.64 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.326 -0.397 . . . . 20.0 110.398 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -95.09 143.04 26.86 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 116.333 -0.394 . . . . 20.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -124.67 79.89 62.41 Favored Pre-proline 0 CA--C 1.554 1.105 0 CA-C-N 116.073 -0.512 . . . . 20.0 110.32 173.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 523' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 530' ' ' VAL . 80.3 Cg_endo -78.27 159.62 29.62 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.884 2.389 . . . . 20.0 112.769 -176.094 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 49.9 t -88.51 143.75 26.77 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.835 -0.62 . . . . 20.0 110.598 174.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -73.28 -40.07 64.86 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-O 120.677 0.275 . . . . 20.0 111.337 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -88.36 -13.64 40.14 Favored 'General case' 0 CA--C 1.557 1.246 0 N-CA-C 112.336 0.495 . . . . 20.0 112.336 -169.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.2 p -145.02 173.66 11.7 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 120.902 0.382 . . . . 20.0 111.031 176.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -87.89 7.16 32.11 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 112.16 0.43 . . . . 20.0 112.16 -170.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -69.34 146.62 52.02 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 120.853 0.359 . . . . 20.0 111.254 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 530' ' ' VAL . . . . . 0.42 ' HA ' ' HA ' ' A' ' 523' ' ' PRO . 12.2 t -122.98 128.46 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 115.755 -0.657 . . . . 20.0 110.169 169.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -105.73 150.54 39.25 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-N 116.121 -0.49 . . . . 20.0 110.517 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.98 -2.04 11.56 Favored 'Trans proline' 0 CA--C 1.556 1.593 0 C-N-CA 122.8 2.333 . . . . 20.0 112.636 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.4 mp -135.24 142.46 45.98 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.442 -0.345 . . . . 20.0 110.227 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -69.63 -44.2 71.13 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.666 0.269 . . . . 20.0 110.931 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -58.59 -33.24 69.76 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 116.583 -0.28 . . . . 20.0 111.064 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -66.83 -45.11 79.26 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.585 -0.28 . . . . 20.0 111.248 -178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.62 -26.29 61.62 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 120.988 -0.285 . . . . 20.0 110.799 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 4.2 m -65.37 -58.35 6.11 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.595 0.236 . . . . 20.0 110.557 175.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -63.3 -29.64 70.92 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 116.715 -0.221 . . . . 20.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -69.33 -42.61 75.12 Favored 'General case' 0 CA--C 1.555 1.162 0 CA-C-O 120.62 0.248 . . . . 20.0 110.919 174.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -67.63 -31.51 71.57 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.869 -0.15 . . . . 20.0 111.037 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 28.1 mt -61.72 -29.49 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 CA-C-O 120.725 0.298 . . . . 20.0 110.405 171.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 543' ' ' HIS . . . . . 0.505 ' HA ' HD11 ' A' ' 560' ' ' ILE . 3.3 t-80 -75.43 -25.11 57.24 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 116.336 -0.393 . . . . 20.0 111.144 175.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -79.48 -42.14 25.92 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 116.779 -0.191 . . . . 20.0 110.962 175.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 82.6 p -73.35 -32.72 64.69 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 120.668 0.271 . . . . 20.0 110.989 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 86.8 11.34 70.87 Favored Glycine 0 CA--C 1.54 1.612 0 CA-C-N 116.424 -0.353 . . . . 20.0 112.386 -178.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -58.08 107.25 0.45 Allowed 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 120.816 0.341 . . . . 20.0 111.25 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -81.98 128.39 34.03 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 116.369 -0.378 . . . . 20.0 110.094 173.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -130.22 -32.97 1.75 Allowed 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 116.137 -0.483 . . . . 20.0 111.899 -169.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -91.72 98.55 11.69 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.765 0.317 . . . . 20.0 110.393 -177.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -97.18 128.32 43.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.385 -0.371 . . . . 20.0 110.867 -176.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 48.0 t -68.05 144.86 54.92 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.161 -0.472 . . . . 20.0 110.073 171.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 86.0 mt -101.37 -16.43 16.89 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 116.7 -0.227 . . . . 20.0 111.252 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.09 -47.91 26.43 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 116.681 -0.236 . . . . 20.0 111.132 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.8 p -119.99 -3.15 10.17 Favored 'General case' 0 CA--C 1.563 1.453 0 N-CA-C 112.07 0.396 . . . . 20.0 112.07 -175.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 80.19 0.09 85.24 Favored Glycine 0 CA--C 1.557 2.676 0 C-N-CA 121.088 -0.577 . . . . 20.0 113.568 173.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -72.62 140.08 47.77 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 117.347 0.574 . . . . 20.0 110.967 -177.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 15.3 m -103.77 147.13 27.63 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 116.39 -0.368 . . . . 20.0 111.215 -176.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -132.12 159.73 38.05 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.928 -0.578 . . . . 20.0 110.737 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 560' ' ' ILE . . . . . 0.505 HD11 ' HA ' ' A' ' 543' ' ' HIS . 15.5 tt -84.44 -24.14 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 CA-C-N 116.242 -0.435 . . . . 20.0 111.883 -170.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.9 p30 -151.33 172.63 15.59 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-O 120.944 0.402 . . . . 20.0 110.902 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -64.35 -41.66 96.63 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.069 -0.514 . . . . 20.0 111.139 -176.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.7 mp0 -59.14 -45.42 91.0 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 116.602 -0.272 . . . . 20.0 111.138 -173.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -65.13 -44.26 89.25 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.663 -0.244 . . . . 20.0 110.835 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -59.69 -46.9 87.67 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 120.682 0.277 . . . . 20.0 110.87 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 29.2 t -60.6 -47.16 87.46 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.47 -0.332 . . . . 20.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 24.6 t -58.44 -42.34 87.12 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.462 -0.335 . . . . 20.0 110.904 177.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -63.53 -50.78 68.19 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.363 -0.38 . . . . 20.0 111.128 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 20.6 mt -65.75 -35.9 76.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-O 120.587 0.232 . . . . 20.0 110.75 -176.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -68.24 -45.39 73.36 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 116.656 -0.247 . . . . 20.0 111.176 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 35.4 p -78.18 -33.62 50.05 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 111.791 0.293 . . . . 20.0 111.791 -174.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 69.9 t -95.13 -49.15 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 CA-C-O 120.497 0.189 . . . . 20.0 111.44 -173.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 . . . . . 0 CA--C 1.551 1.018 0 CA-C-N 116.709 -0.223 . . . . 20.0 111.558 -173.195 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 111.641 0.237 . . . . 20.0 111.641 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -145.99 158.72 43.86 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 121.049 0.452 . . . . 20.0 111.469 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -138.32 138.39 38.3 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 115.671 -0.695 . . . . 20.0 110.326 177.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.5 tt -100.37 124.35 45.76 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 116.496 -0.32 . . . . 20.0 110.655 -177.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -98.24 151.18 37.39 Favored Pre-proline 0 CA--C 1.555 1.14 0 CA-C-N 116.358 -0.383 . . . . 20.0 110.698 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -63.92 157.73 51.05 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 122.464 2.109 . . . . 20.0 112.594 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 42.0 t -101.44 136.31 41.49 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.502 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.11 -11.52 1.47 Allowed 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 116.4 -0.364 . . . . 20.0 111.599 -177.153 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 18.8 p -68.44 -25.56 65.07 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 111.676 0.25 . . . . 20.0 111.676 -177.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.4 pp -137.71 168.87 18.81 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-O 120.803 0.335 . . . . 20.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -89.18 105.47 17.81 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 116.169 -0.468 . . . . 20.0 111.463 -170.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 26.0 pt -146.05 170.68 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 CA-C-N 115.763 -0.653 . . . . 20.0 109.954 170.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -70.87 174.67 5.82 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.681 -0.488 . . . . 20.0 109.681 169.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -150.04 151.81 33.84 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 120.841 0.353 . . . . 20.0 110.645 176.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -96.5 145.83 25.34 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.962 -0.563 . . . . 20.0 110.645 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.59 -9.94 40.47 Favored 'General case' 0 CA--C 1.556 1.184 0 CA-C-N 116.492 -0.322 . . . . 20.0 111.729 -177.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -77.74 -12.54 59.98 Favored 'General case' 0 CA--C 1.56 1.333 0 O-C-N 122.441 -0.162 . . . . 20.0 111.274 175.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.3 mm? . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.704 0.288 . . . . 20.0 110.589 169.676 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 13.8 p30 . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.624 0.249 . . . . 20.0 111.595 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 483' ' ' HIS . . . . . 0.556 ' HB3' HD21 ' A' ' 509' ' ' LEU . 56.4 p-80 -161.83 176.56 10.74 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.91 0.386 . . . . 20.0 111.412 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -139.28 160.92 38.69 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.781 -0.645 . . . . 20.0 110.3 171.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -100.19 136.38 40.18 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 120.876 0.369 . . . . 20.0 110.826 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.2 tp -134.73 117.39 15.95 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.067 -0.515 . . . . 20.0 110.29 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 29.4 mt -88.05 123.04 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 120.905 0.384 . . . . 20.0 110.57 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 39.3 t -138.38 129.58 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 115.857 -0.611 . . . . 20.0 110.165 -178.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.75 36.38 21.03 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-O 120.945 0.402 . . . . 20.0 111.217 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 78.81 5.01 88.6 Favored Glycine 0 CA--C 1.55 2.258 0 C-N-CA 121.505 -0.378 . . . . 20.0 112.958 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 23.8 mtt180 -113.51 136.85 52.35 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.516 0.326 . . . . 20.0 110.709 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 98.6 t -80.75 119.61 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 110.256 -0.276 . . . . 20.0 110.256 174.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -101.04 149.82 23.54 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.249 -0.432 . . . . 20.0 110.3 173.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -113.99 117.09 30.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 20.0 110.004 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.1 mt -114.0 129.46 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-O 120.946 0.403 . . . . 20.0 111.026 -169.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.9 t -66.72 137.97 57.06 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.092 -0.504 . . . . 20.0 110.65 176.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 37.8 pt -70.0 -39.62 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 111.733 0.271 . . . . 20.0 111.733 -176.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.98 -63.84 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 N-CA-C 111.916 0.339 . . . . 20.0 111.916 -176.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 27.1 p -105.09 -5.0 21.22 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.495 0.554 . . . . 20.0 112.495 -169.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 58.2 38.09 26.24 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 122.531 0.332 . . . . 20.0 111.759 -177.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -78.7 132.76 37.12 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 109.975 -0.38 . . . . 20.0 109.975 169.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 32.0 p -96.07 134.3 39.28 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 120.805 0.336 . . . . 20.0 111.194 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -126.22 142.1 51.66 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.777 -0.647 . . . . 20.0 110.977 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 75.5 t -84.7 -16.18 10.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.798 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 96.6 m -132.19 132.25 42.97 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.522 -0.308 . . . . 20.0 110.855 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 20.7 mt -60.5 -37.51 81.33 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 116.398 -0.365 . . . . 20.0 111.114 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 23.6 p -53.91 -44.07 70.24 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 120.642 0.258 . . . . 20.0 111.081 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 29.4 m -69.74 -33.43 72.45 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.608 -0.269 . . . . 20.0 111.081 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.556 HD21 ' HB3' ' A' ' 483' ' ' HIS . 4.0 tp -64.38 -46.75 81.97 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 116.703 -0.226 . . . . 20.0 111.019 176.29 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -58.14 -48.64 79.63 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 120.884 0.374 . . . . 20.0 110.146 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -55.91 -43.1 77.0 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 115.751 -0.659 . . . . 20.0 111.061 176.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -67.27 -45.29 77.06 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 116.439 -0.346 . . . . 20.0 111.288 -177.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -59.51 -23.02 62.46 Favored 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 111.598 0.222 . . . . 20.0 111.598 -174.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.05 -26.77 60.9 Favored 'General case' 0 CA--C 1.567 1.62 0 C-N-CA 122.336 0.254 . . . . 20.0 111.34 175.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 42.6 mt -74.18 -20.85 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 122.369 0.268 . . . . 20.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -94.24 -42.62 8.85 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.638 0.256 . . . . 20.0 110.994 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 87.2 p -72.82 -36.16 67.47 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.497 -0.319 . . . . 20.0 111.28 -177.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 64.3 m95 50.57 32.2 6.49 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-O 121.195 0.522 . . . . 20.0 110.512 -169.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -70.7 -30.82 67.48 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.964 -0.562 . . . . 20.0 110.65 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -138.43 108.66 6.44 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 116.144 -0.48 . . . . 20.0 110.562 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 521' ' ' LYS . . . . . 0.504 ' HB2' ' CG1' ' A' ' 530' ' ' VAL . 13.4 ptpt -94.64 163.53 13.34 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.809 0.338 . . . . 20.0 110.702 174.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -127.88 81.85 69.52 Favored Pre-proline 0 CA--C 1.55 0.98 0 CA-C-N 116.021 -0.536 . . . . 20.0 110.71 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -67.3 130.97 23.72 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.666 2.244 . . . . 20.0 112.248 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 51.1 t -65.07 144.27 57.37 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 116.265 -0.425 . . . . 20.0 110.805 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -75.59 -40.04 57.11 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 120.772 0.32 . . . . 20.0 110.846 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -84.65 -21.11 30.37 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 115.926 -0.579 . . . . 20.0 112.077 -169.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.7 p -141.8 169.2 18.05 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 120.814 0.34 . . . . 20.0 110.787 174.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -86.26 9.44 17.72 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 112.603 0.594 . . . . 20.0 112.603 -169.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -81.34 159.19 24.47 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 120.94 0.4 . . . . 20.0 111.259 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 530' ' ' VAL . . . . . 0.504 ' CG1' ' HB2' ' A' ' 521' ' ' LYS . 39.9 t -123.54 140.26 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 115.933 -0.576 . . . . 20.0 111.034 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -110.84 145.77 33.05 Favored Pre-proline 0 CA--C 1.545 0.786 0 CA-C-N 115.967 -0.56 . . . . 20.0 110.63 173.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -85.53 -7.45 8.72 Favored 'Trans proline' 0 CA--C 1.55 1.312 0 C-N-CA 122.826 2.351 . . . . 20.0 112.783 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 5.5 mp -130.25 146.03 51.82 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.355 -0.384 . . . . 20.0 110.109 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -65.32 -42.34 93.06 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.638 -0.255 . . . . 20.0 111.362 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -68.7 -34.75 76.18 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 122.398 -0.188 . . . . 20.0 110.955 -177.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -64.35 -34.84 79.08 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 110.395 -0.224 . . . . 20.0 110.395 174.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 537' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 538' ' ' THR . 0.1 OUTLIER -61.2 -61.85 2.26 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 116.39 -0.368 . . . . 20.0 110.449 171.027 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 538' ' ' THR . . . . . 0.407 ' N ' ' HD2' ' A' ' 537' ' ' ARG . 25.5 m -49.32 -54.28 17.87 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 115.921 -0.581 . . . . 20.0 111.184 -177.181 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -65.26 -31.04 71.98 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 116.38 -0.373 . . . . 20.0 110.98 -170.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -71.48 -42.21 68.36 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 116.663 -0.244 . . . . 20.0 111.036 172.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -68.91 -26.6 65.17 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 122.332 -0.23 . . . . 20.0 111.074 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 34.7 mt -66.72 -30.73 50.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-O 120.65 0.262 . . . . 20.0 110.428 169.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 543' ' ' HIS . . . . . 0.432 ' HA ' HD11 ' A' ' 560' ' ' ILE . 4.7 t-80 -73.45 -25.27 60.42 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 116.416 -0.356 . . . . 20.0 111.061 175.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -80.56 -44.57 18.8 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-O 120.621 0.248 . . . . 20.0 110.983 175.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 19.4 p -81.3 -23.95 37.53 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 116.463 -0.335 . . . . 20.0 111.497 -174.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 83.92 8.39 84.24 Favored Glycine 0 CA--C 1.544 1.869 0 C-N-CA 121.545 -0.36 . . . . 20.0 112.823 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -53.72 115.35 1.94 Allowed 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 120.906 0.384 . . . . 20.0 111.062 -177.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 56.5 mmt-85 -82.95 88.44 6.83 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.339 -0.391 . . . . 20.0 110.668 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 52.9 mmm-85 -72.34 -43.77 63.59 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 116.238 -0.437 . . . . 20.0 111.254 -177.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -106.4 115.86 30.94 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.403 -0.362 . . . . 20.0 110.889 -171.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -108.57 135.18 50.26 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.48 -0.327 . . . . 20.0 110.707 178.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 34.2 t -71.75 152.61 42.6 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.432 -0.349 . . . . 20.0 110.264 174.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 93.8 mt -113.93 -18.28 11.8 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.632 -0.258 . . . . 20.0 111.361 -178.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.11 -46.47 34.32 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 120.499 0.19 . . . . 20.0 110.943 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.0 p -119.96 -2.1 10.33 Favored 'General case' 0 CA--C 1.562 1.407 0 N-CA-C 111.774 0.287 . . . . 20.0 111.774 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 82.47 -7.07 65.96 Favored Glycine 0 CA--C 1.554 2.493 0 C-N-CA 121.25 -0.5 . . . . 20.0 113.433 172.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -65.01 137.89 58.01 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 117.135 0.467 . . . . 20.0 111.163 -175.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 20.1 m -98.87 137.24 37.72 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.186 -0.461 . . . . 20.0 111.174 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -122.7 158.88 29.11 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 116.074 -0.512 . . . . 20.0 110.928 -178.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 560' ' ' ILE . . . . . 0.432 HD11 ' HA ' ' A' ' 543' ' ' HIS . 15.8 tt -89.26 -25.61 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.228 0 CA-C-N 116.13 -0.487 . . . . 20.0 111.839 -170.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 41.9 p30 -151.26 170.63 19.02 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 120.917 0.389 . . . . 20.0 111.243 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -66.72 -35.3 79.79 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 116.137 -0.483 . . . . 20.0 111.297 -175.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -61.95 -46.95 87.05 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 120.699 0.285 . . . . 20.0 110.978 -175.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -68.56 -43.36 76.78 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.491 -0.322 . . . . 20.0 110.823 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 16.6 ttp -58.14 -49.22 77.74 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 120.675 0.274 . . . . 20.0 111.077 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 47.6 t -60.85 -46.66 89.71 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.614 -0.266 . . . . 20.0 110.819 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 22.9 t -58.73 -42.03 87.83 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.425 -0.352 . . . . 20.0 110.896 177.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -63.77 -48.85 75.27 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.426 -0.352 . . . . 20.0 111.089 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.98 -44.06 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-O 120.561 0.22 . . . . 20.0 110.658 -178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.36 -38.76 85.3 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.517 -0.311 . . . . 20.0 111.185 -178.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 22.8 t -79.73 -38.99 32.11 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 111.632 0.234 . . . . 20.0 111.632 -176.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 75.2 t -94.45 -46.43 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 CA-C-N 116.748 -0.206 . . . . 20.0 111.489 -170.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 . . . . . 0 CA--C 1.55 0.949 0 CA-C-N 116.638 -0.255 . . . . 20.0 111.361 -174.382 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 111.556 0.206 . . . . 20.0 111.556 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -146.53 156.46 43.27 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 121.02 0.438 . . . . 20.0 111.43 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -126.44 134.92 50.85 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.619 -0.719 . . . . 20.0 110.099 175.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 tt -96.21 122.68 39.32 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 116.389 -0.368 . . . . 20.0 110.407 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -96.29 155.74 37.72 Favored Pre-proline 0 CA--C 1.553 1.076 0 CA-C-N 116.28 -0.418 . . . . 20.0 110.674 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -66.11 152.61 80.8 Favored 'Trans proline' 0 CA--C 1.547 1.137 0 C-N-CA 122.47 2.113 . . . . 20.0 112.129 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 12.3 t -88.98 122.89 32.78 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.627 -0.26 . . . . 20.0 110.834 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -117.26 -29.72 5.8 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 116.296 -0.411 . . . . 20.0 111.585 -172.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 50.1 m -71.2 -27.01 63.19 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 112.289 0.477 . . . . 20.0 112.289 -169.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.3 pp -140.81 168.08 20.66 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 120.878 0.37 . . . . 20.0 111.265 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -91.38 111.73 23.35 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 116.02 -0.536 . . . . 20.0 111.56 -170.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 25.9 pt -143.98 169.88 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 CA-C-N 115.658 -0.701 . . . . 20.0 109.893 169.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 5.2 ptt-85 -69.38 171.87 7.99 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.75 -0.463 . . . . 20.0 109.75 170.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -148.29 152.47 37.18 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 120.981 0.419 . . . . 20.0 110.965 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 597' ' ' TYR . . . . . 0.531 ' H ' HD23 ' A' ' 600' ' ' LEU . 89.2 m-85 -103.67 152.13 22.15 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.707 -0.679 . . . . 20.0 110.647 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.19 -9.98 37.1 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 116.527 -0.306 . . . . 20.0 111.788 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -78.21 -17.26 56.99 Favored 'General case' 0 CA--C 1.56 1.36 0 O-C-N 122.37 -0.206 . . . . 20.0 111.045 174.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 600' ' ' LEU . . . . . 0.531 HD23 ' H ' ' A' ' 597' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 109.922 -0.399 . . . . 20.0 109.922 169.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.823 0 CA-C-O 120.85 0.357 . . . . 20.0 110.763 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -134.31 155.53 50.06 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.147 -0.479 . . . . 20.0 110.711 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -83.11 106.94 15.32 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 116.287 -0.415 . . . . 20.0 110.666 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.26 151.33 27.69 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 116.057 -0.519 . . . . 20.0 111.065 -178.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 26.2 mmt -137.6 144.77 42.15 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.966 -0.561 . . . . 20.0 110.626 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -119.17 68.51 0.8 Allowed 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 116.243 -0.435 . . . . 20.0 110.311 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 34.9 m -135.11 153.63 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 116.047 -0.524 . . . . 20.0 111.266 -173.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -93.4 169.57 10.27 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.894 -0.594 . . . . 20.0 110.504 172.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -136.54 165.38 25.98 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 120.84 0.352 . . . . 20.0 110.836 -178.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -81.95 50.44 1.55 Allowed 'General case' 0 CA--C 1.556 1.198 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.685 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -96.54 4.42 52.05 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 116.223 -0.444 . . . . 20.0 110.871 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 483' ' ' HIS . . . . . 0.41 ' HB3' HD21 ' A' ' 509' ' ' LEU . 54.9 p-80 -161.06 176.41 11.38 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 116.376 -0.375 . . . . 20.0 110.731 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -138.64 157.97 45.13 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.169 -0.468 . . . . 20.0 110.574 171.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -99.55 141.52 32.24 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.325 -0.398 . . . . 20.0 110.795 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 22.1 tp -137.37 113.82 10.19 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.078 -0.51 . . . . 20.0 110.334 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 27.9 mt -84.86 122.81 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 120.868 0.366 . . . . 20.0 110.515 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 48.2 t -134.66 123.98 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 115.936 -0.574 . . . . 20.0 110.113 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 38.4 t0 50.48 40.27 22.84 Favored 'General case' 0 CA--C 1.564 1.498 0 CA-C-O 121.066 0.46 . . . . 20.0 111.068 -177.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.31 -26.61 6.86 Favored Glycine 0 CA--C 1.547 2.052 0 CA-C-N 116.184 -0.462 . . . . 20.0 112.848 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 59.2 mtm-85 -80.34 132.6 35.82 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 120.638 0.256 . . . . 20.0 111.045 -177.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 84.8 t -80.01 117.86 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 116.462 -0.336 . . . . 20.0 110.103 170.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.0 m-30 -100.9 155.14 18.12 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.334 -0.394 . . . . 20.0 110.225 173.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -118.54 127.26 53.45 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.132 -0.485 . . . . 20.0 110.021 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.6 mt -121.01 130.45 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-O 120.915 0.388 . . . . 20.0 111.116 -169.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 5.9 t -67.06 138.45 57.16 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.982 -0.554 . . . . 20.0 110.584 175.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 26.2 pt -70.28 -39.37 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 111.646 0.239 . . . . 20.0 111.646 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.85 -63.82 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 111.954 0.353 . . . . 20.0 111.954 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.3 p -105.07 -4.53 21.83 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.386 0.513 . . . . 20.0 112.386 -169.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 57.2 35.39 26.13 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 122.654 0.382 . . . . 20.0 111.856 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -76.8 131.57 38.74 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.932 -0.395 . . . . 20.0 109.932 169.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 32.9 p -93.1 146.12 23.89 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.978 0.418 . . . . 20.0 111.132 -177.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -138.5 140.82 39.31 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.782 -0.644 . . . . 20.0 110.931 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 74.1 t -80.3 -16.84 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 115.96 -0.564 . . . . 20.0 111.125 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 73.2 m -134.73 136.0 42.36 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 116.488 -0.323 . . . . 20.0 111.07 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 21.7 mt -61.31 -38.94 88.64 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 116.341 -0.391 . . . . 20.0 110.857 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 7.5 p -52.32 -45.49 65.62 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-O 120.886 0.374 . . . . 20.0 110.873 176.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 3.7 t -64.98 -40.16 94.57 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.188 -0.46 . . . . 20.0 110.97 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 483' ' ' HIS . 4.9 tp -62.81 -46.12 89.44 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 116.279 -0.418 . . . . 20.0 111.127 178.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -59.66 -46.58 88.6 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 120.801 0.334 . . . . 20.0 110.311 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -54.79 -42.79 72.19 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.883 -0.598 . . . . 20.0 111.056 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -69.6 -43.99 71.67 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 116.33 -0.395 . . . . 20.0 111.401 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -59.4 -22.83 61.99 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 111.667 0.247 . . . . 20.0 111.667 -173.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -22.24 64.27 Favored 'General case' 0 CA--C 1.568 1.66 0 C-N-CA 122.105 0.162 . . . . 20.0 111.237 177.03 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 49.4 mt -74.85 -19.37 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 122.301 0.24 . . . . 20.0 111.06 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -98.75 -42.67 7.1 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.583 0.23 . . . . 20.0 111.078 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 87.9 p -72.23 -36.94 69.25 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.514 -0.312 . . . . 20.0 111.305 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 61.4 m95 51.23 31.24 6.62 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.269 0.556 . . . . 20.0 110.298 -169.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.11 -33.3 75.17 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.724 -0.671 . . . . 20.0 110.674 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -127.77 116.19 19.83 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.081 -0.509 . . . . 20.0 110.419 177.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -88.79 146.34 25.06 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.158 -0.474 . . . . 20.0 110.505 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -121.75 80.0 40.3 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-N 116.114 -0.494 . . . . 20.0 110.423 176.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -75.82 146.72 30.12 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.759 2.306 . . . . 20.0 112.416 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 14.2 t -71.84 170.35 13.86 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-N 115.919 -0.582 . . . . 20.0 110.782 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.16 -40.22 7.29 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 116.387 -0.369 . . . . 20.0 110.754 175.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -85.72 -17.96 34.45 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.968 -0.56 . . . . 20.0 111.536 -172.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 18.1 p -141.96 170.28 16.02 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-O 120.838 0.352 . . . . 20.0 110.811 175.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -84.99 7.58 20.8 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 116.371 -0.377 . . . . 20.0 111.8 -174.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -66.77 149.49 50.48 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 120.695 0.283 . . . . 20.0 111.07 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 14.9 t -127.16 138.31 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 CA-C-N 116.25 -0.432 . . . . 20.0 110.814 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -111.62 152.5 44.1 Favored Pre-proline 0 CA--C 1.546 0.79 0 CA-C-N 115.937 -0.574 . . . . 20.0 110.652 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -84.69 -7.39 9.6 Favored 'Trans proline' 0 CA--C 1.553 1.432 0 C-N-CA 122.849 2.366 . . . . 20.0 112.736 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.2 mp -132.19 144.43 50.66 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.528 0.331 . . . . 20.0 110.223 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.01 88.31 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 116.499 -0.319 . . . . 20.0 110.989 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -65.67 -37.06 85.44 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 116.686 -0.233 . . . . 20.0 111.04 -176.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -60.62 -41.89 95.75 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.617 0.246 . . . . 20.0 110.561 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -61.48 -52.31 65.03 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.389 -0.369 . . . . 20.0 110.448 174.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 52.6 m -54.06 -49.74 68.32 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 116.38 -0.373 . . . . 20.0 110.942 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -61.89 -37.82 86.03 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 116.726 -0.216 . . . . 20.0 111.263 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -65.81 -41.52 91.76 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-O 120.732 0.301 . . . . 20.0 110.785 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.77 -29.65 68.08 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.695 -0.229 . . . . 20.0 111.279 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 28.4 mt -65.11 -29.39 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-O 120.567 0.222 . . . . 20.0 110.538 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 543' ' ' HIS . . . . . 0.447 ' HA ' HD11 ' A' ' 560' ' ' ILE . 2.8 t-80 -78.91 -26.55 43.74 Favored 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 116.42 -0.355 . . . . 20.0 111.225 175.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -73.53 -41.33 63.14 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 120.754 0.312 . . . . 20.0 110.762 174.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 16.4 p -80.92 -40.78 24.02 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 116.305 -0.407 . . . . 20.0 111.157 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 96.5 16.13 38.15 Favored Glycine 0 CA--C 1.544 1.857 0 C-N-CA 121.498 -0.382 . . . . 20.0 112.748 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.7 115.21 2.03 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 116.892 0.346 . . . . 20.0 111.078 -177.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 48.0 mmt-85 -83.85 80.01 9.29 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.065 0.46 . . . . 20.0 110.495 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 39.5 mtp85 -71.33 -36.45 71.56 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 115.864 -0.607 . . . . 20.0 111.698 -173.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -101.19 110.7 22.75 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.533 -0.303 . . . . 20.0 111.053 -169.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -105.09 130.87 53.18 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 120.816 0.341 . . . . 20.0 110.796 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 45.6 t -69.82 151.11 46.13 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.175 -0.466 . . . . 20.0 110.137 171.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 78.2 mt -106.91 -17.72 14.12 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.69 -0.232 . . . . 20.0 111.39 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.16 -48.2 24.77 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 116.744 -0.207 . . . . 20.0 111.093 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.1 p -120.0 -3.03 10.17 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 111.954 0.353 . . . . 20.0 111.954 -176.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 80.04 -1.42 79.88 Favored Glycine 0 CA--C 1.556 2.625 0 C-N-CA 121.041 -0.599 . . . . 20.0 113.485 172.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -68.49 140.49 55.69 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 117.223 0.511 . . . . 20.0 111.069 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 16.1 m -106.09 143.48 34.16 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 116.242 -0.435 . . . . 20.0 111.197 -176.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -132.93 159.25 40.48 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 116.002 -0.544 . . . . 20.0 110.747 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.447 HD11 ' HA ' ' A' ' 543' ' ' HIS . 7.0 tt -84.7 -25.34 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 116.199 -0.455 . . . . 20.0 111.915 -171.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 37.2 p30 -152.76 171.34 18.39 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 121.055 0.455 . . . . 20.0 111.327 -177.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -66.34 -36.53 83.15 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.949 -0.569 . . . . 20.0 111.26 -176.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.3 mp0 -61.29 -47.98 83.48 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 120.586 0.232 . . . . 20.0 111.183 -174.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -67.26 -40.72 86.27 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 116.686 -0.234 . . . . 20.0 110.788 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 32.8 ttp -59.47 -49.67 76.9 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 116.604 -0.271 . . . . 20.0 111.043 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 40.0 t -59.73 -46.82 87.96 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 116.65 -0.25 . . . . 20.0 110.835 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 32.6 t -57.24 -44.96 84.29 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 116.433 -0.349 . . . . 20.0 110.938 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -62.36 -48.11 81.22 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.442 -0.345 . . . . 20.0 111.294 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.25 -34.16 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 120.586 0.231 . . . . 20.0 110.669 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -71.63 -45.6 61.6 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.557 -0.292 . . . . 20.0 111.127 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 95.4 p -77.09 -33.16 57.06 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 111.787 0.291 . . . . 20.0 111.787 -173.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 70.9 t -96.14 -49.61 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 CA-C-O 120.507 0.194 . . . . 20.0 111.441 -173.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -100.08 -9.91 22.09 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 116.602 -0.272 . . . . 20.0 111.664 -172.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 22.4 m 55.28 36.85 27.93 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 120.841 0.353 . . . . 20.0 111.098 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -120.15 161.48 20.97 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.244 -0.434 . . . . 20.0 111.04 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -107.15 114.87 60.8 Favored Pre-proline 0 CA--C 1.554 1.1 0 CA-C-N 116.024 -0.534 . . . . 20.0 110.533 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -68.76 -20.21 40.18 Favored 'Trans proline' 0 CA--C 1.55 1.315 0 C-N-CA 122.477 2.118 . . . . 20.0 112.633 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 8.5 t -85.04 -1.53 56.94 Favored 'General case' 0 CA--C 1.556 1.186 0 CA-C-O 120.719 0.295 . . . . 20.0 110.953 174.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -77.46 -154.15 6.29 Favored Glycine 0 CA--C 1.541 1.668 0 N-CA-C 112.291 -0.324 . . . . 20.0 112.291 177.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -111.85 29.56 7.76 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 120.71 0.291 . . . . 20.0 111.489 -177.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 58.4 m -104.4 -40.44 6.08 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 116.56 -0.291 . . . . 20.0 111.069 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 58.61 80.75 0.17 Allowed 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.118 0.485 . . . . 20.0 110.928 -177.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 2.4 mp -102.05 22.44 13.13 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 115.861 -0.608 . . . . 20.0 111.5 -174.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -145.64 158.67 43.82 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.028 0.442 . . . . 20.0 111.213 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -134.06 138.74 45.52 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.785 -0.643 . . . . 20.0 110.31 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.1 tt -96.91 124.59 40.93 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 116.289 -0.414 . . . . 20.0 110.675 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -104.41 145.75 31.27 Favored Pre-proline 0 CA--C 1.55 0.97 0 CA-C-N 116.301 -0.409 . . . . 20.0 110.523 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -60.12 157.34 35.1 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 122.554 2.169 . . . . 20.0 112.424 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 48.3 t -93.41 126.35 38.5 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.189 -0.459 . . . . 20.0 110.466 176.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 33.4 ptt-85 -116.62 -16.02 10.76 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 116.41 -0.359 . . . . 20.0 111.369 -177.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 38.2 m -66.65 -26.84 67.25 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.584 -0.28 . . . . 20.0 111.388 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.2 pp -143.23 163.3 33.31 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 120.713 0.292 . . . . 20.0 110.657 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -86.64 122.72 30.95 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-O 121.033 0.445 . . . . 20.0 111.422 -171.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 35.6 pt -144.57 170.18 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 115.644 -0.707 . . . . 20.0 109.961 174.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' ARG . . . . . 0.449 HH22 " H1'" ' E' ' 27' ' ' ' DG' . 24.4 ptt180 -73.33 134.77 44.23 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 110.058 -0.349 . . . . 20.0 110.058 170.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -110.57 99.67 8.61 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.193 -0.458 . . . . 20.0 110.746 -172.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -59.65 147.43 37.47 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.262 -0.426 . . . . 20.0 110.643 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.89 -10.01 44.03 Favored 'General case' 0 CA--C 1.559 1.318 0 N-CA-C 112.186 0.439 . . . . 20.0 112.186 -171.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -84.48 -18.56 35.46 Favored 'General case' 0 CA--C 1.552 1.055 0 O-C-N 122.408 -0.183 . . . . 20.0 111.429 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.65 -35.85 38.69 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.61 0.243 . . . . 20.0 110.476 170.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 26.3 t -54.19 -70.09 0.11 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 116.07 -0.513 . . . . 20.0 110.575 -178.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -153.65 128.79 9.68 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.907 0.384 . . . . 20.0 110.769 175.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -139.23 143.68 38.13 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.948 -0.569 . . . . 20.0 110.588 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 N--CA 1.48 1.057 0 CA-C-N 116.203 -0.453 . . . . 20.0 110.972 179.386 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.07 0 O5'-C5'-C4' 114.259 2.9 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.624 0 O4'-C4'-C3' 108.596 2.996 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.577 0 O5'-C5'-C4' 114.027 2.734 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.707 0 O5'-C5'-C4' 115.313 3.652 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.237 0 O5'-C5'-C4' 114.344 2.96 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.32 0 P-O3'-C3' 123.762 3.385 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.637 4.386 1 O4'-C4'-C3' 109.638 4.038 . . . . 20.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.813 0 O4'-C4'-C3' 108.802 3.202 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.544 0 C1'-O4'-C4' 104.162 -3.956 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.804 0 C5'-C4'-C3' 110.759 -2.627 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.368 0 P-O3'-C3' 123.726 3.355 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.213 0 P-O3'-C3' 122.489 2.324 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.587 0 O5'-C5'-C4' 114.469 3.049 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.181 0 P-O3'-C3' 123.794 3.411 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.438 0 O4'-C4'-C3' 108.616 3.016 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.417 0 O4'-C4'-C3' 108.308 2.708 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.254 0 P-O3'-C3' 123.236 2.946 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.445 0 C1'-O4'-C4' 106.077 -2.588 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.536 0 P-O3'-C3' 123.303 3.002 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.622 0 C1'-O4'-C4' 106.081 -2.585 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.727 0 O5'-C5'-C4' 114.223 2.873 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.36 0 O4'-C4'-C3' 108.548 2.948 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.471 0 P-O3'-C3' 122.667 2.472 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.625 0 O4'-C4'-C3' 108.276 2.676 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.02 0 O4'-C4'-C3' 108.731 3.131 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.608 0 P-O3'-C3' 123.96 3.55 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 27' ' ' ' DG' . . . . . 0.449 " H1'" HH22 ' A' ' 595' ' ' ARG . . . . . . . . 0 C5'--C4' 1.539 3.533 2 C3'-C2'-C1' 94.906 -5.567 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.069 0 O3'-P-O5' 98.514 -2.887 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.959 1 O4'-C4'-C3' 109.838 4.238 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.765 0 O5'-C5'-C4' 113.749 2.535 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.218 0 O5'-C5'-C4' 114.044 2.746 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.401 2 P-O3'-C3' 125.245 4.621 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.04 0 O5'-C5'-C4' 115.382 3.701 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.535 0 P-O3'-C3' 123.358 3.049 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.534 0 O4'-C4'-C3' 108.523 2.923 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.594 0 O4'-C4'-C3' 108.529 2.929 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.614 0 O4'-C4'-C3' 108.605 3.005 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.265 0 P-O3'-C3' 122.887 2.656 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.932 0 CA-C-O 120.871 0.367 . . . . 20.0 110.947 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -132.0 156.65 45.85 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 116.165 -0.471 . . . . 20.0 110.706 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -70.86 154.02 42.21 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 116.319 -0.4 . . . . 20.0 110.879 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -43.86 108.72 0.12 Allowed 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 120.988 0.423 . . . . 20.0 110.566 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 99.6 mtp -56.94 134.15 55.34 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.492 -0.776 . . . . 20.0 111.636 -169.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -73.54 93.92 2.07 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.928 -0.578 . . . . 20.0 109.912 171.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 18.1 m -62.11 146.02 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 115.838 -0.619 . . . . 20.0 111.851 -169.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -150.33 162.14 41.09 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.455 -0.793 . . . . 20.0 110.674 175.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -139.52 172.06 13.35 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 116.246 -0.434 . . . . 20.0 111.081 -174.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -76.84 60.06 1.69 Allowed 'General case' 0 CA--C 1.559 1.303 0 CA-C-N 116.018 -0.537 . . . . 20.0 110.628 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 482' ' ' ASP . . . . . 0.434 ' CG ' HH12 ' A' ' 510' ' ' ARG . 8.0 p30 -102.98 4.51 37.47 Favored 'General case' 0 CA--C 1.556 1.174 0 CA-C-N 115.958 -0.564 . . . . 20.0 111.056 -176.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -161.28 175.25 12.49 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.583 0.353 . . . . 20.0 110.741 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -136.18 157.91 45.68 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.108 -0.497 . . . . 20.0 110.023 169.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -112.58 127.41 56.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.014 0.435 . . . . 20.0 110.81 -173.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.8 tp -121.97 118.14 28.11 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.633 -0.712 . . . . 20.0 110.16 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 25.6 mt -88.82 122.12 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 120.953 0.406 . . . . 20.0 110.618 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 41.9 t -138.14 129.31 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 115.823 -0.626 . . . . 20.0 110.092 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.69 35.83 19.4 Favored 'General case' 0 CA--C 1.565 1.558 0 CA-C-O 120.967 0.413 . . . . 20.0 111.208 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.29 3.87 88.73 Favored Glycine 0 CA--C 1.55 2.229 0 CA-C-N 116.349 -0.387 . . . . 20.0 112.836 177.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -111.67 135.3 52.46 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.524 0.33 . . . . 20.0 110.724 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 97.6 t -80.07 123.23 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 116.477 -0.328 . . . . 20.0 110.29 174.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -108.75 114.73 28.76 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.363 -0.381 . . . . 20.0 110.518 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -79.79 119.89 23.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.38 -0.373 . . . . 20.0 110.197 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.1 mt -114.35 131.13 67.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-O 120.944 0.402 . . . . 20.0 111.086 -171.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.5 t -66.69 137.25 56.55 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.998 -0.546 . . . . 20.0 110.809 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 20.4 pt -69.64 -38.42 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 116.618 -0.264 . . . . 20.0 111.652 -176.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 52.2 t -60.82 -65.52 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 N-CA-C 111.898 0.333 . . . . 20.0 111.898 -176.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.4 p -105.16 -1.82 24.98 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-N 116.041 -0.527 . . . . 20.0 112.412 -169.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 56.96 40.63 28.64 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 122.561 0.345 . . . . 20.0 111.575 -175.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -80.77 130.21 34.95 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-N 116.367 -0.379 . . . . 20.0 110.263 170.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 33.7 p -93.45 151.17 19.91 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 120.995 0.426 . . . . 20.0 111.289 -177.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -144.16 141.95 30.26 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.781 -0.645 . . . . 20.0 111.136 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 80.2 t -78.72 -16.92 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 CA-C-N 115.92 -0.582 . . . . 20.0 110.887 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 84.3 m -135.16 138.91 44.15 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 120.796 0.331 . . . . 20.0 111.218 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.37 -34.07 73.36 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 116.184 -0.462 . . . . 20.0 110.737 174.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 39.2 p -55.05 -42.7 73.02 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 116.6 -0.273 . . . . 20.0 110.785 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 38.8 m -68.36 -38.63 81.62 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 116.505 -0.316 . . . . 20.0 110.991 177.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 7.1 tp -63.14 -46.4 87.38 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.511 -0.313 . . . . 20.0 110.82 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 510' ' ' ARG . . . . . 0.434 HH12 ' CG ' ' A' ' 482' ' ' ASP . 0.0 OUTLIER -61.84 -48.38 80.84 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 120.552 0.215 . . . . 20.0 110.695 177.384 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -52.31 -41.22 62.76 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 116.257 -0.429 . . . . 20.0 110.856 174.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -74.53 -43.39 56.03 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 116.167 -0.47 . . . . 20.0 111.42 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -62.0 -25.97 67.95 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 122.397 -0.189 . . . . 20.0 111.465 -174.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -20.57 61.59 Favored 'General case' 0 CA--C 1.557 1.212 0 CA-C-O 120.581 0.229 . . . . 20.0 111.186 175.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 21.7 mt -81.11 -16.01 12.43 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 C-N-CA 122.347 0.259 . . . . 20.0 110.95 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -97.68 -43.48 7.17 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.715 0.293 . . . . 20.0 110.897 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 85.2 p -80.01 -34.33 38.51 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.356 -0.384 . . . . 20.0 111.31 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 55.5 m95 49.36 39.16 15.59 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-O 121.217 0.532 . . . . 20.0 110.706 -172.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -71.53 -26.97 62.88 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.866 -0.606 . . . . 20.0 111.17 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -125.05 135.06 52.36 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 116.531 -0.304 . . . . 20.0 110.56 175.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -102.46 141.17 35.72 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.174 -0.466 . . . . 20.0 110.538 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 522' ' ' TYR . . . . . 0.407 ' CE1' ' HB2' ' A' ' 534' ' ' ALA . 83.2 m-85 -124.28 79.95 59.66 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-N 116.167 -0.47 . . . . 20.0 110.217 172.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -78.22 149.66 25.21 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.793 2.329 . . . . 20.0 112.607 -176.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 524' ' ' CYS . . . . . 0.78 ' HG ' 'ZN ' ' A' ' 702' ' ' ' ZN' . 52.7 t -84.75 145.69 27.78 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.91 -0.586 . . . . 20.0 110.533 175.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -80.59 -37.34 31.41 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 116.519 -0.31 . . . . 20.0 110.918 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -84.01 -23.43 30.97 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 116.205 -0.452 . . . . 20.0 111.743 -171.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 15.2 p -139.2 161.58 37.07 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 120.769 0.319 . . . . 20.0 110.559 172.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -84.97 24.8 1.02 Allowed 'General case' 0 CA--C 1.564 1.481 0 N-CA-C 112.279 0.474 . . . . 20.0 112.279 -169.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -85.61 157.58 20.32 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 120.92 0.39 . . . . 20.0 111.198 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 11.1 t -128.81 138.21 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 CA-C-N 115.751 -0.659 . . . . 20.0 110.77 175.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -108.13 150.83 40.95 Favored Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 116.015 -0.538 . . . . 20.0 110.714 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -82.83 -0.61 10.15 Favored 'Trans proline' 0 CA--C 1.56 1.808 0 C-N-CA 122.89 2.394 . . . . 20.0 112.481 171.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 7.5 mp -133.58 141.14 47.55 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.841 0.456 . . . . 20.0 110.335 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 534' ' ' ALA . . . . . 0.407 ' HB2' ' CE1' ' A' ' 522' ' ' TYR . . . -69.97 -42.47 73.09 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 120.644 0.259 . . . . 20.0 111.159 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -61.12 -36.75 80.58 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 120.607 0.241 . . . . 20.0 110.924 -177.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -65.09 -39.97 93.94 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.629 -0.259 . . . . 20.0 110.833 177.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -55.25 35.15 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.878 0.37 . . . . 20.0 110.254 175.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 52.8 m -51.15 -59.21 4.43 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.906 -0.588 . . . . 20.0 111.184 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -62.45 -33.58 75.11 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 116.682 -0.235 . . . . 20.0 110.939 -175.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -66.97 -42.71 84.68 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 120.706 0.288 . . . . 20.0 111.03 175.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -70.31 -26.0 63.58 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 122.38 -0.2 . . . . 20.0 111.111 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 23.6 mt -64.59 -35.6 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-O 120.686 0.279 . . . . 20.0 110.449 170.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -73.14 -28.76 62.43 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.346 -0.388 . . . . 20.0 111.13 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -75.23 -42.44 55.34 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 120.77 0.319 . . . . 20.0 111.061 175.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 18.8 p -79.82 -19.92 47.34 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 116.413 -0.358 . . . . 20.0 111.409 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 77.23 13.67 83.38 Favored Glycine 0 CA--C 1.542 1.775 0 C-N-CA 121.481 -0.39 . . . . 20.0 112.652 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -55.73 116.59 3.01 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-O 120.776 0.322 . . . . 20.0 111.364 -175.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -78.59 129.94 35.37 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 116.259 -0.428 . . . . 20.0 110.154 171.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -136.33 -41.97 0.63 Allowed 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 116.298 -0.41 . . . . 20.0 111.556 -173.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -90.33 97.25 11.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.707 0.289 . . . . 20.0 110.412 -176.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -97.3 129.72 44.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.405 -0.361 . . . . 20.0 110.94 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 49.5 t -68.46 148.61 50.36 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.07 -0.513 . . . . 20.0 110.244 171.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 90.8 mt -103.74 -19.74 14.2 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 116.714 -0.221 . . . . 20.0 111.242 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.01 -48.37 24.42 Favored 'General case' 0 CA--C 1.556 1.174 0 CA-C-N 116.586 -0.279 . . . . 20.0 111.165 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 26.4 p -120.03 -1.61 10.36 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 112.054 0.39 . . . . 20.0 112.054 -175.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 81.51 -5.98 66.58 Favored Glycine 0 CA--C 1.556 2.643 0 C-N-CA 120.978 -0.63 . . . . 20.0 113.738 171.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -66.26 140.77 58.16 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 117.469 0.634 . . . . 20.0 111.065 -176.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 24.2 m -105.1 145.56 30.35 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 116.362 -0.381 . . . . 20.0 111.355 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -132.39 162.26 31.56 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.982 -0.554 . . . . 20.0 110.787 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 3.1 tt -80.14 -25.43 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 116.146 -0.479 . . . . 20.0 111.531 -172.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -155.05 175.05 14.32 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 121.111 0.481 . . . . 20.0 111.232 -174.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -63.86 -37.03 85.87 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.856 -0.611 . . . . 20.0 111.096 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -62.67 -48.52 78.93 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 116.419 -0.355 . . . . 20.0 111.205 -172.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -68.55 -42.7 78.0 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.901 -0.136 . . . . 20.0 110.869 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 565' ' ' MET . . . . . 0.421 ' SD ' HD12 ' A' ' 569' ' ' ILE . 14.2 tmm? -56.43 -47.57 78.8 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 116.643 -0.253 . . . . 20.0 110.727 176.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 38.5 t -60.79 -49.1 78.84 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.559 -0.291 . . . . 20.0 110.959 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 29.1 t -56.34 -41.96 76.94 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.681 0.276 . . . . 20.0 110.881 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -64.83 -50.46 66.57 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 116.456 -0.338 . . . . 20.0 111.202 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 569' ' ' ILE . . . . . 0.421 HD12 ' SD ' ' A' ' 565' ' ' MET . 20.1 mt -64.3 -36.46 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-O 120.63 0.253 . . . . 20.0 110.679 -177.12 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -67.08 -42.31 84.85 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 116.59 -0.277 . . . . 20.0 111.046 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 41.4 m -77.77 -36.46 50.53 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 116.571 -0.286 . . . . 20.0 111.69 -174.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 73.8 t -97.11 -47.81 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 116.635 -0.257 . . . . 20.0 111.409 -171.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -100.04 -5.61 27.76 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 116.643 -0.253 . . . . 20.0 111.497 -173.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 38.3 m 54.89 42.57 31.0 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.628 0.371 . . . . 20.0 111.254 177.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -135.73 160.92 37.05 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.248 -0.433 . . . . 20.0 110.973 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -104.03 120.06 52.3 Favored Pre-proline 0 CA--C 1.554 1.107 0 CA-C-N 116.047 -0.524 . . . . 20.0 110.47 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -56.66 -28.43 75.25 Favored 'Trans proline' 0 CA--C 1.551 1.345 0 C-N-CA 122.519 2.146 . . . . 20.0 112.742 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 9.5 t -79.62 -2.24 41.73 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-O 120.673 0.273 . . . . 20.0 111.29 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -77.02 -151.63 4.36 Favored Glycine 0 CA--C 1.542 1.781 0 N-CA-C 112.483 -0.247 . . . . 20.0 112.483 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -112.54 29.74 7.69 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 120.744 0.307 . . . . 20.0 111.34 -176.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 68.8 m -101.11 -38.4 8.16 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 116.498 -0.319 . . . . 20.0 111.307 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 59.02 77.79 0.29 Allowed 'General case' 0 N--CA 1.503 2.224 0 CA-C-O 121.225 0.536 . . . . 20.0 110.544 -174.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 5.3 mt -105.79 12.39 30.91 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 115.732 -0.667 . . . . 20.0 112.102 -169.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -147.62 162.71 38.58 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.09 0.471 . . . . 20.0 111.476 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -138.22 137.96 38.06 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.644 -0.707 . . . . 20.0 110.156 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.5 tt -102.08 113.71 27.19 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.425 -0.352 . . . . 20.0 110.667 -175.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -88.28 152.88 50.77 Favored Pre-proline 0 CA--C 1.554 1.114 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.928 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -63.97 158.83 45.33 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 122.468 2.112 . . . . 20.0 112.554 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 24.7 t -94.59 131.53 40.25 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.143 -0.481 . . . . 20.0 110.575 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -120.13 -22.42 6.65 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 116.3 -0.409 . . . . 20.0 111.448 -174.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 49.1 m -73.73 -21.39 60.23 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 111.877 0.325 . . . . 20.0 111.877 -171.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 3.0 pp -143.27 169.05 18.36 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 120.876 0.369 . . . . 20.0 111.293 -177.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -91.08 113.26 25.48 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 116.119 -0.491 . . . . 20.0 111.635 -171.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 23.6 pt -149.79 164.61 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 115.718 -0.674 . . . . 20.0 110.309 169.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -73.23 145.66 46.04 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.952 -0.388 . . . . 20.0 109.952 171.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -126.14 152.04 46.46 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.046 0.451 . . . . 20.0 110.822 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 597' ' ' TYR . . . . . 0.45 ' H ' ' CD2' ' A' ' 600' ' ' LEU . 87.7 m-85 -103.17 157.8 16.75 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.771 -0.65 . . . . 20.0 110.678 -177.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.77 -9.94 56.48 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-N 116.57 -0.286 . . . . 20.0 111.747 -175.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -77.53 -20.49 54.1 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 121.314 -0.154 . . . . 20.0 110.855 173.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 600' ' ' LEU . . . . . 0.45 ' CD2' ' H ' ' A' ' 597' ' ' TYR . 0.3 OUTLIER -82.68 -32.57 28.05 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 109.944 -0.391 . . . . 20.0 109.944 169.371 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 56.0 m -74.43 0.87 13.19 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 115.973 -0.558 . . . . 20.0 111.707 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -54.27 143.18 23.88 Favored 'General case' 0 CA--C 1.556 1.193 0 CA-C-O 120.893 0.378 . . . . 20.0 111.145 -178.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -63.14 141.5 58.74 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 116.214 -0.448 . . . . 20.0 110.906 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 N--CA 1.478 0.973 0 CA-C-N 116.243 -0.435 . . . . 20.0 111.05 -178.763 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.312 0 O5'-C5'-C4' 114.483 3.059 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.189 1 O5'-C5'-C4' 115.907 4.077 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.595 0 O5'-C5'-C4' 114.327 2.948 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.743 2 O5'-C5'-C4' 116.481 4.487 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.573 0 O5'-C5'-C4' 114.73 3.235 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.921 0 P-O3'-C3' 123.61 3.258 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.929 1 O5'-C5'-C4' 116.035 4.168 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.817 0 P-O3'-C3' 124.036 3.614 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.694 0 O5'-C5'-C4' 114.396 2.997 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.57 0 P-O3'-C3' 123.769 3.391 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.406 0 P-O3'-C3' 123.522 3.185 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.177 0 P-O3'-C3' 122.908 2.673 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.489 0 O4'-C4'-C3' 108.71 3.11 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.606 0 P-O3'-C3' 123.348 3.04 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.586 0 O5'-C5'-C4' 114.161 2.829 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.635 0 O5'-C5'-C4' 114.236 2.883 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.147 0 P-O3'-C3' 123.452 3.126 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.972 1 O5'-C5'-C4' 116.212 4.294 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.562 0 P-O3'-C3' 123.746 3.372 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.623 0 C1'-O4'-C4' 106.127 -2.552 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.776 0 O4'-C4'-C3' 108.45 2.85 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.293 0 O4'-C4'-C3' 108.153 2.553 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.692 0 O4'-C4'-C3' 108.399 2.799 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.744 0 O4'-C4'-C3' 108.351 2.751 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.508 0 P-O3'-C3' 123.969 3.558 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.687 0 O5'-C5'-C4' 115.073 3.48 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.742 2 C3'-C2'-C1' 95.481 -5.157 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.28 0 O3'-P-O5' 98.684 -2.798 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.305 0 O5'-C5'-C4' 114.735 3.239 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.04 0 O4'-C4'-C3' 107.787 2.187 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.127 0 C1'-O4'-C4' 105.381 -3.085 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.448 1 P-O3'-C3' 125.137 4.531 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.792 0 O5'-C5'-C4' 115.107 3.505 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.416 0 P-O3'-C3' 123.078 2.815 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.672 0 O4'-C4'-C3' 108.615 3.015 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.678 0 O4'-C4'-C3' 108.624 3.024 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.514 0 O4'-C4'-C3' 108.673 3.073 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.394 0 P-O3'-C3' 122.935 2.696 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . 0.78 'ZN ' ' HG ' ' A' ' 524' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.992 0 CA-C-O 120.866 0.365 . . . . 20.0 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -68.93 148.53 50.05 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 116.26 -0.427 . . . . 20.0 110.879 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -134.71 155.65 50.18 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 116.208 -0.451 . . . . 20.0 110.715 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -148.1 141.51 25.3 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 116.166 -0.47 . . . . 20.0 110.751 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 16.5 ttm -167.11 168.67 13.43 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 116.245 -0.434 . . . . 20.0 110.8 -176.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 477' ' ' LYS . . . . . 0.411 ' HE2' " H1'" ' D' ' 17' ' ' ' DA' . 4.6 mptp? -123.71 94.7 4.32 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-N 116.269 -0.423 . . . . 20.0 110.178 173.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 29.0 m -140.4 154.48 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 116.207 -0.452 . . . . 20.0 111.069 -176.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 479' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' A' ' 479' ' ' LYS . 0.1 OUTLIER -104.23 163.38 12.45 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.998 -0.547 . . . . 20.0 110.399 173.694 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -132.71 159.05 40.79 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 116.295 -0.411 . . . . 20.0 111.013 -171.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -91.39 32.59 1.04 Allowed 'General case' 0 CA--C 1.556 1.197 0 CA-C-N 116.048 -0.524 . . . . 20.0 111.077 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 35.8 p30 -85.8 10.01 14.94 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 116.374 -0.376 . . . . 20.0 111.07 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 483' ' ' HIS . . . . . 0.451 ' HB3' HD21 ' A' ' 509' ' ' LEU . 56.5 p-80 -158.72 175.0 14.17 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 120.815 0.34 . . . . 20.0 110.909 178.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -137.54 160.57 38.78 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.37 171.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -102.59 119.42 38.8 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.403 -0.362 . . . . 20.0 110.675 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.2 tp -115.38 114.56 25.27 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.076 -0.511 . . . . 20.0 110.171 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 29.8 mt -87.18 123.22 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-O 120.97 0.414 . . . . 20.0 110.591 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 47.9 t -134.19 123.56 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 115.841 -0.618 . . . . 20.0 110.144 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 36.0 t0 49.84 42.12 23.52 Favored 'General case' 0 CA--C 1.564 1.517 0 CA-C-O 121.086 0.47 . . . . 20.0 111.064 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 86.61 -21.38 18.62 Favored Glycine 0 CA--C 1.549 2.163 0 CA-C-N 116.172 -0.467 . . . . 20.0 113.04 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 56.9 mtt85 -89.24 135.74 33.41 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 116.887 0.343 . . . . 20.0 111.058 -177.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 99.8 t -81.59 122.67 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 116.48 -0.327 . . . . 20.0 110.209 173.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -108.21 116.87 32.76 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.398 -0.365 . . . . 20.0 110.476 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -79.84 117.17 20.47 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.276 -0.42 . . . . 20.0 110.282 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.1 mt -112.9 127.85 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-O 120.802 0.334 . . . . 20.0 111.082 -172.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 4.0 t -65.16 137.05 57.38 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.227 -0.442 . . . . 20.0 110.594 176.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 35.5 pt -68.69 -39.22 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 111.75 0.278 . . . . 20.0 111.75 -176.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.83 -64.43 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 N-CA-C 111.871 0.322 . . . . 20.0 111.871 -175.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 26.5 p -104.99 -3.24 23.5 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 115.984 -0.553 . . . . 20.0 112.358 -169.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 57.8 37.54 27.09 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 122.576 0.35 . . . . 20.0 111.668 -178.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -80.57 131.09 35.47 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 110.149 -0.315 . . . . 20.0 110.149 169.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 24.4 p -93.24 145.94 24.06 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.971 0.415 . . . . 20.0 111.279 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -138.24 140.52 39.73 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.807 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 75.9 t -82.86 -16.31 11.5 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.835 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 75.5 m -134.71 134.91 41.56 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.412 -0.358 . . . . 20.0 110.961 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.42 -33.27 73.42 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 116.301 -0.409 . . . . 20.0 111.12 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 17.3 p -52.08 -46.59 65.25 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 120.727 0.298 . . . . 20.0 111.104 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 6.7 m -69.51 -33.36 72.72 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.445 -0.343 . . . . 20.0 111.181 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.451 HD21 ' HB3' ' A' ' 483' ' ' HIS . 7.7 tp -63.12 -46.33 87.79 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 116.915 -0.13 . . . . 20.0 110.862 176.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -58.45 -48.9 79.23 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 120.818 0.342 . . . . 20.0 110.344 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -57.45 -42.25 82.11 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.916 -0.584 . . . . 20.0 110.959 177.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -68.56 -46.31 69.79 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 116.4 -0.364 . . . . 20.0 111.324 -176.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -60.7 -21.24 62.68 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 111.465 0.172 . . . . 20.0 111.465 -173.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.43 -25.01 58.97 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 120.536 0.208 . . . . 20.0 111.22 174.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 36.5 mt -75.9 -19.48 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 122.447 0.299 . . . . 20.0 111.202 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -96.74 -40.61 8.88 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.618 0.247 . . . . 20.0 111.051 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 81.0 p -81.94 -34.75 29.68 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.521 -0.309 . . . . 20.0 111.445 -175.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 36.5 m95 50.32 36.32 12.63 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.138 0.494 . . . . 20.0 110.856 -171.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -69.26 -28.93 66.75 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.108 -0.496 . . . . 20.0 110.922 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -129.16 122.85 30.66 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.351 -0.386 . . . . 20.0 110.349 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -93.43 150.5 20.41 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 116.216 -0.447 . . . . 20.0 110.653 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -124.03 79.92 57.98 Favored Pre-proline 0 CA--C 1.546 0.82 0 CA-C-N 116.12 -0.491 . . . . 20.0 110.219 175.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.44 153.66 31.05 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.947 2.432 . . . . 20.0 112.545 -178.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 5.1 t -79.74 170.44 16.52 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.073 -0.512 . . . . 20.0 110.936 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -106.48 -40.06 5.69 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 115.876 -0.602 . . . . 20.0 110.766 176.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -78.41 -21.88 48.62 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.33 -0.395 . . . . 20.0 111.44 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 23.0 p -140.33 173.36 11.58 Favored 'General case' 0 CA--C 1.556 1.197 0 CA-C-O 120.832 0.349 . . . . 20.0 110.779 176.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -92.05 11.32 25.7 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 116.457 -0.338 . . . . 20.0 111.836 -174.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -71.65 149.12 45.85 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 120.713 0.292 . . . . 20.0 111.093 -177.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 8.7 t -127.57 138.84 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 CA-C-N 116.346 -0.388 . . . . 20.0 111.025 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -124.66 160.11 55.07 Favored Pre-proline 0 N--CA 1.477 0.895 0 CA-C-N 115.898 -0.592 . . . . 20.0 110.715 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -89.18 0.15 6.11 Favored 'Trans proline' 0 CA--C 1.559 1.748 0 C-N-CA 123.082 2.521 . . . . 20.0 113.376 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 1.9 mp -134.06 143.19 47.9 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.766 0.317 . . . . 20.0 110.838 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.54 -40.28 80.75 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 116.239 -0.437 . . . . 20.0 111.148 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -57.13 -50.46 72.74 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 120.814 0.34 . . . . 20.0 110.687 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -60.58 -34.28 73.95 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.186 -0.461 . . . . 20.0 110.663 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -67.52 -47.48 69.81 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.487 -0.324 . . . . 20.0 110.886 175.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 49.4 m -61.03 -52.88 63.12 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 116.754 -0.203 . . . . 20.0 110.949 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -63.12 -34.26 77.22 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 116.776 -0.193 . . . . 20.0 111.01 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -65.43 -44.62 86.8 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 120.669 0.271 . . . . 20.0 110.838 174.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -66.31 -32.08 73.27 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 122.44 -0.163 . . . . 20.0 111.041 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 27.2 mt -62.31 -29.9 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-O 120.713 0.292 . . . . 20.0 110.619 172.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 543' ' ' HIS . . . . . 0.482 ' HA ' HD11 ' A' ' 560' ' ' ILE . 2.5 t-80 -76.76 -26.3 54.4 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 116.485 -0.325 . . . . 20.0 111.134 176.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -75.09 -40.37 60.11 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-O 120.577 0.227 . . . . 20.0 110.866 174.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 69.4 p -76.93 -36.09 56.85 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 116.578 -0.283 . . . . 20.0 111.099 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 85.47 16.94 63.17 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 121.355 -0.45 . . . . 20.0 112.181 -175.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -55.98 120.87 8.12 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 120.871 0.367 . . . . 20.0 111.147 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -71.28 124.81 25.37 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.339 -0.391 . . . . 20.0 110.195 172.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 34.0 mmm-85 -115.91 -55.9 2.37 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.235 -0.439 . . . . 20.0 111.214 -173.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -99.76 114.47 27.64 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.351 -0.386 . . . . 20.0 110.776 -172.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -105.51 130.37 53.59 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 120.837 0.351 . . . . 20.0 110.843 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 49.4 t -68.68 147.91 51.17 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.155 -0.475 . . . . 20.0 110.092 171.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 87.7 mt -102.86 -17.57 15.47 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 116.694 -0.23 . . . . 20.0 111.313 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.13 -48.47 23.54 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 116.647 -0.251 . . . . 20.0 111.095 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 31.8 p -119.91 -2.55 10.29 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 112.092 0.405 . . . . 20.0 112.092 -174.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 80.02 -1.51 79.41 Favored Glycine 0 CA--C 1.557 2.695 0 C-N-CA 120.993 -0.622 . . . . 20.0 113.56 172.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -68.98 140.24 55.04 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-N 117.228 0.514 . . . . 20.0 111.026 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 43.9 m -107.0 147.04 30.38 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 116.327 -0.397 . . . . 20.0 111.178 -177.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -131.98 156.58 45.96 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.926 -0.579 . . . . 20.0 110.729 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.482 HD11 ' HA ' ' A' ' 543' ' ' HIS . 5.9 tt -79.51 -23.94 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 116.242 -0.435 . . . . 20.0 111.651 -172.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -151.6 169.66 21.57 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-O 121.046 0.45 . . . . 20.0 111.156 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 562' ' ' TYR . . . . . 0.439 ' CE1' " H2'" ' E' ' 31' ' ' ' DG' . 24.8 t80 -66.95 -39.08 87.17 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 116.001 -0.545 . . . . 20.0 111.275 -175.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.6 mp0 -58.48 -44.92 89.55 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.622 -0.263 . . . . 20.0 111.155 -174.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -68.14 -42.95 79.38 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.598 -0.274 . . . . 20.0 111.018 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -40.37 92.03 Favored 'General case' 0 CA--C 1.554 1.096 0 CA-C-N 116.696 -0.229 . . . . 20.0 111.093 -176.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 34.8 t -63.78 -46.08 86.84 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.602 0.239 . . . . 20.0 110.618 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 16.5 t -58.15 -41.81 84.56 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 116.419 -0.355 . . . . 20.0 110.815 176.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -62.52 -47.86 82.08 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 116.412 -0.358 . . . . 20.0 111.353 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 57.2 mt -64.43 -39.67 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-O 120.596 0.236 . . . . 20.0 110.654 -177.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -67.08 -44.69 79.39 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.574 -0.284 . . . . 20.0 111.097 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 22.9 t -74.84 -39.39 61.64 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 111.709 0.263 . . . . 20.0 111.709 -175.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 77.1 t -92.19 -47.0 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 111.615 0.228 . . . . 20.0 111.615 -170.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -100.03 -3.61 31.7 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 116.603 -0.271 . . . . 20.0 111.573 -173.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 39.8 m 54.85 36.82 27.44 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 120.808 0.337 . . . . 20.0 111.287 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -128.81 158.24 39.25 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.267 -0.424 . . . . 20.0 110.844 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -104.41 112.27 65.36 Favored Pre-proline 0 CA--C 1.551 1.017 0 CA-C-N 116.121 -0.491 . . . . 20.0 110.536 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.83 -15.88 33.09 Favored 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 122.54 2.16 . . . . 20.0 112.711 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 33.5 t -81.04 -3.99 53.67 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 116.754 -0.203 . . . . 20.0 111.116 176.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -80.16 -141.3 2.59 Favored Glycine 0 CA--C 1.54 1.648 0 N-CA-C 112.281 -0.327 . . . . 20.0 112.281 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -116.0 29.7 7.81 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-O 120.846 0.355 . . . . 20.0 110.995 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 27.1 p -98.19 -41.18 8.02 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.408 -0.36 . . . . 20.0 111.187 -178.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 59.39 71.68 0.57 Allowed 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.22 0.533 . . . . 20.0 110.714 -176.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 9.2 mt -98.8 16.32 22.62 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 115.716 -0.674 . . . . 20.0 111.547 -173.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -147.82 162.27 39.58 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.963 0.411 . . . . 20.0 111.221 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -140.18 138.68 35.35 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.784 -0.644 . . . . 20.0 110.308 176.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -103.07 117.36 34.39 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.429 -0.35 . . . . 20.0 110.57 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -92.05 160.63 35.24 Favored Pre-proline 0 CA--C 1.553 1.077 0 CA-C-N 116.178 -0.464 . . . . 20.0 110.675 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.49 161.44 43.38 Favored 'Trans proline' 0 CA--C 1.544 1.017 0 C-N-CA 122.713 2.275 . . . . 20.0 112.636 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 42.1 t -100.38 130.23 46.45 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.111 -0.495 . . . . 20.0 110.333 173.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -123.72 -14.31 7.27 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 116.433 -0.349 . . . . 20.0 111.445 -177.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 37.4 m -69.97 -23.72 63.22 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 116.617 -0.265 . . . . 20.0 111.46 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.9 pp -140.26 164.94 28.73 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-O 120.923 0.392 . . . . 20.0 110.868 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -82.79 117.35 22.62 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 116.037 -0.529 . . . . 20.0 111.561 -170.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 33.3 pt -143.95 166.55 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 CA-C-N 115.781 -0.645 . . . . 20.0 110.25 173.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -71.22 138.4 49.45 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 110.007 -0.368 . . . . 20.0 110.007 171.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -111.16 96.33 6.07 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.35 -0.386 . . . . 20.0 110.768 -172.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -51.87 142.03 16.23 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.889 -0.596 . . . . 20.0 110.906 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -61.96 -18.11 59.23 Favored 'General case' 0 CA--C 1.557 1.239 0 N-CA-C 111.679 0.251 . . . . 20.0 111.679 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -81.35 -18.78 44.43 Favored 'General case' 0 CA--C 1.554 1.119 0 CA-C-O 120.631 0.253 . . . . 20.0 111.205 176.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.01 -36.86 14.7 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.467 -0.333 . . . . 20.0 110.515 170.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.28 -3.77 55.88 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 116.121 -0.49 . . . . 20.0 111.862 -171.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -147.81 167.4 24.83 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 120.777 0.322 . . . . 20.0 110.738 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -51.14 140.87 15.41 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 116.177 -0.465 . . . . 20.0 111.206 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 N--CA 1.476 0.839 0 CA-C-N 115.95 -0.568 . . . . 20.0 110.998 -179.501 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.228 0 O5'-C5'-C4' 114.138 2.813 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.588 0 O4'-C4'-C3' 108.549 2.949 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.48 0 O5'-C5'-C4' 114.043 2.745 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.622 0 O4'-C4'-C3' 109.056 3.456 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.118 0 O5'-C5'-C4' 114.629 3.164 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.285 0 P-O3'-C3' 123.642 3.285 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.997 1 O4'-C4'-C3' 109.603 4.003 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 0 O4'-C4'-C3' 108.749 3.149 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.043 1 C3'-C2'-C1' 96.671 -4.307 . . . . 20.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.54 0 O5'-C5'-C4' 114.385 2.989 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.52 0 P-O3'-C3' 123.249 2.958 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.331 0 P-O3'-C3' 122.402 2.251 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.287 0 P-O3'-C3' 123.485 3.154 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.331 0 P-O3'-C3' 123.733 3.361 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.21 0 O4'-C4'-C3' 108.311 2.711 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.355 0 O4'-C4'-C3' 108.392 2.792 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . 0.411 " H1'" ' HE2' ' A' ' 477' ' ' LYS . . . . . . . . 0 C5'--C4' 1.538 3.382 0 P-O3'-C3' 123.276 2.98 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.673 0 O4'-C4'-C3' 108.465 2.865 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.32 0 P-O3'-C3' 122.567 2.389 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.586 0 C1'-O4'-C4' 106.145 -2.539 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.719 0 O4'-C4'-C3' 108.408 2.808 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.104 0 P-O3'-C3' 122.908 2.673 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.587 0 P-O3'-C3' 123.423 3.103 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.328 0 P-O3'-C3' 122.665 2.471 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.385 0 O4'-C4'-C3' 108.442 2.842 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.777 0 O5'-C5'-C4' 115.581 3.843 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.456 2 C3'-C2'-C1' 95.41 -5.207 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.795 0 O3'-P-O5' 98.987 -2.638 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.707 0 P-O3'-C3' 123.605 3.254 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.938 0 O5'-C5'-C4' 114.539 3.099 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 31' ' ' ' DG' . . . . . 0.439 " H2'" ' CE1' ' A' ' 562' ' ' TYR . . . . . . . . 0 C5'--C4' 1.54 3.592 0 C3'-C2'-C1' 106.822 2.944 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.985 1 O5'-C5'-C4' 116.23 4.307 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.069 0 O5'-C5'-C4' 114.777 3.269 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.584 0 P-O3'-C3' 123.329 3.024 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.598 0 O4'-C4'-C3' 108.396 2.796 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.516 0 O4'-C4'-C3' 108.555 2.955 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.562 0 O4'-C4'-C3' 108.561 2.961 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.258 0 P-O3'-C3' 122.842 2.618 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.904 0 CA-C-O 120.868 0.366 . . . . 20.0 110.911 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -152.01 134.12 15.06 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 116.206 -0.452 . . . . 20.0 110.528 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -147.36 79.95 1.5 Allowed 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 120.913 0.387 . . . . 20.0 111.057 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -66.61 104.96 1.39 Allowed 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 116.308 -0.405 . . . . 20.0 110.213 173.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 27.1 ttt -158.12 80.0 0.84 Allowed 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 120.919 0.39 . . . . 20.0 110.786 -177.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -148.94 49.97 0.98 Allowed 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 116.128 -0.487 . . . . 20.0 110.821 177.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 2.3 p -154.95 103.86 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 CA-C-N 116.223 -0.444 . . . . 20.0 110.639 177.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -162.17 59.86 0.24 Allowed 'General case' 0 N--CA 1.485 1.286 0 CA-C-N 116.028 -0.533 . . . . 20.0 110.436 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.18 79.94 1.32 Allowed 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 116.024 -0.535 . . . . 20.0 110.745 -176.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -150.42 27.43 0.75 Allowed 'General case' 0 CA--C 1.567 1.609 0 N-CA-C 108.687 -0.857 . . . . 20.0 108.687 170.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 33.7 p30 -129.23 14.91 6.19 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 115.043 -0.98 . . . . 20.0 112.558 -168.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -160.54 174.01 14.68 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 121.023 0.439 . . . . 20.0 111.782 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -138.62 162.05 35.59 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.486 -0.779 . . . . 20.0 110.095 171.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -102.78 120.75 41.14 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.451 -0.34 . . . . 20.0 110.744 -177.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.3 tp -117.07 116.33 27.12 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.004 -0.544 . . . . 20.0 110.158 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 33.7 mt -89.38 123.57 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 120.958 0.408 . . . . 20.0 110.606 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 45.2 t -138.51 129.51 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 115.755 -0.657 . . . . 20.0 110.096 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.03 36.62 19.16 Favored 'General case' 0 CA--C 1.564 1.498 0 CA-C-O 120.935 0.398 . . . . 20.0 111.208 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.68 0.84 85.73 Favored Glycine 0 CA--C 1.552 2.36 0 CA-C-N 116.5 -0.318 . . . . 20.0 112.911 177.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -107.66 134.77 50.17 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.513 0.325 . . . . 20.0 110.7 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 89.0 t -81.37 121.5 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 116.589 -0.278 . . . . 20.0 110.318 174.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -108.76 115.58 30.35 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.523 177.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -79.83 116.03 19.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.329 -0.396 . . . . 20.0 110.027 176.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 2.8 mt -109.26 128.41 65.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-N 116.379 -0.373 . . . . 20.0 110.968 -172.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 2.6 t -65.8 135.65 55.16 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.066 -0.515 . . . . 20.0 110.629 175.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 35.7 pt -69.4 -38.23 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 111.774 0.287 . . . . 20.0 111.774 -175.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 47.8 t -60.81 -64.8 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 N-CA-C 111.81 0.3 . . . . 20.0 111.81 -176.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 29.1 p -105.11 -3.81 22.63 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.33 0.493 . . . . 20.0 112.33 -169.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 59.45 36.29 23.08 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 122.593 0.357 . . . . 20.0 111.768 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -80.43 131.39 35.58 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 110.058 -0.349 . . . . 20.0 110.058 169.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 21.4 p -92.49 146.09 23.95 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.311 -0.404 . . . . 20.0 111.235 -176.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -137.53 138.08 39.27 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.972 -0.558 . . . . 20.0 110.923 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 52.8 t -80.08 -15.82 12.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-N 115.945 -0.571 . . . . 20.0 111.029 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 78.9 m -136.57 135.13 38.16 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.778 0.323 . . . . 20.0 110.871 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 30.3 mt -60.31 -36.21 77.37 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 116.345 -0.389 . . . . 20.0 110.971 177.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 14.2 p -54.11 -39.57 66.51 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 120.816 0.341 . . . . 20.0 110.875 175.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 5.4 t -69.39 -40.09 77.6 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.07 -0.514 . . . . 20.0 110.867 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.29 -45.35 93.63 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.326 -0.397 . . . . 20.0 111.114 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -58.31 -46.65 85.76 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 120.772 0.32 . . . . 20.0 110.271 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -55.73 -45.21 78.0 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.862 -0.608 . . . . 20.0 110.634 175.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -69.21 -48.68 61.37 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 116.222 -0.445 . . . . 20.0 111.425 -174.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -61.85 -21.0 64.29 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-O 120.505 0.193 . . . . 20.0 111.491 -171.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -23.02 62.94 Favored 'General case' 0 CA--C 1.561 1.399 0 CA-C-N 116.749 -0.205 . . . . 20.0 111.217 175.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 38.0 mt -76.54 -19.17 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-O 120.599 0.238 . . . . 20.0 110.95 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -97.85 -42.41 7.58 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.717 0.294 . . . . 20.0 110.985 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 89.3 p -78.57 -34.01 47.24 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.362 -0.381 . . . . 20.0 111.329 -176.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 61.5 m95 50.65 39.44 21.61 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 121.212 0.529 . . . . 20.0 110.521 -169.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.44 -30.24 70.55 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.802 -0.635 . . . . 20.0 111.006 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -133.53 122.8 24.11 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.269 -0.423 . . . . 20.0 110.454 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -92.94 143.53 26.16 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.287 -0.415 . . . . 20.0 110.421 174.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -122.41 79.93 45.9 Favored Pre-proline 0 CA--C 1.541 0.612 0 CA-C-N 116.16 -0.473 . . . . 20.0 110.471 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.84 148.95 46.97 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.623 2.215 . . . . 20.0 112.42 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 24.5 t -73.61 170.48 15.13 Favored 'General case' 0 CA--C 1.557 1.235 0 CA-C-N 115.876 -0.602 . . . . 20.0 110.42 173.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -110.43 -39.96 4.78 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 116.205 -0.452 . . . . 20.0 110.841 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -79.16 -20.83 47.52 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 116.299 -0.409 . . . . 20.0 111.348 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.8 p -139.66 170.49 15.79 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 120.666 0.27 . . . . 20.0 110.594 172.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -94.36 16.78 14.24 Favored 'General case' 0 CA--C 1.564 1.486 0 N-CA-C 112.268 0.47 . . . . 20.0 112.268 -169.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -78.82 161.73 26.58 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 120.772 0.32 . . . . 20.0 110.956 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 15.2 t -130.69 139.07 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 CA-C-N 116.168 -0.469 . . . . 20.0 111.124 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -109.98 152.19 42.89 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 115.928 -0.578 . . . . 20.0 110.673 175.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -83.62 -3.32 10.63 Favored 'Trans proline' 0 CA--C 1.557 1.64 0 C-N-CA 122.838 2.358 . . . . 20.0 112.776 175.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.1 mp -134.19 146.06 49.8 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.586 0.355 . . . . 20.0 110.313 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -67.58 -49.58 62.47 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.628 -0.26 . . . . 20.0 111.168 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -56.94 -35.68 69.36 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.67 -0.241 . . . . 20.0 111.098 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -63.44 -40.46 97.21 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.734 -0.212 . . . . 20.0 110.716 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.04 -39.71 93.25 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.648 0.261 . . . . 20.0 110.318 175.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 24.3 m -67.17 -55.79 12.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.436 -0.347 . . . . 20.0 110.892 -175.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -61.18 -34.66 75.41 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.639 -0.255 . . . . 20.0 110.839 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -66.01 -46.85 76.44 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-O 120.63 0.252 . . . . 20.0 111.049 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -65.65 -31.72 72.9 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 122.391 -0.193 . . . . 20.0 111.056 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 9.5 mt -59.6 -33.92 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-O 120.985 0.422 . . . . 20.0 110.397 171.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -29.48 67.37 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.17 -0.468 . . . . 20.0 110.881 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -78.25 -42.65 30.46 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 116.665 -0.243 . . . . 20.0 111.141 177.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 82.4 p -76.0 -18.22 59.37 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 116.825 -0.17 . . . . 20.0 111.311 -177.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 76.64 15.91 81.18 Favored Glycine 0 CA--C 1.543 1.794 0 C-N-CA 121.442 -0.409 . . . . 20.0 112.346 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.46 109.69 1.24 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 120.817 0.341 . . . . 20.0 110.981 -176.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 64.2 mtm180 -80.1 127.36 32.22 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.868 0.366 . . . . 20.0 110.145 175.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -107.72 -51.45 2.9 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.909 -0.587 . . . . 20.0 111.581 -169.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -97.68 110.43 22.99 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.365 -0.379 . . . . 20.0 110.871 -171.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -93.04 123.69 36.48 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.351 -0.386 . . . . 20.0 110.645 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 552' ' ' CYS . . . . . 0.878 ' HG ' 'ZN ' ' A' ' 703' ' ' ' ZN' . 35.3 t -77.29 100.01 5.72 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.283 -0.417 . . . . 20.0 110.535 177.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 75.2 mt -61.83 -15.06 38.95 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 111.887 0.329 . . . . 20.0 111.887 -175.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.07 -50.07 17.63 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-O 120.352 0.12 . . . . 20.0 111.317 -177.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.7 p -120.07 -5.28 10.02 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 111.88 0.326 . . . . 20.0 111.88 -174.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 91.51 -7.87 79.48 Favored Glycine 0 CA--C 1.551 2.33 0 C-N-CA 121.536 -0.364 . . . . 20.0 113.274 174.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -74.61 133.48 42.17 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 117.293 0.546 . . . . 20.0 110.86 -175.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 49.8 m -105.96 150.15 25.96 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.435 -0.348 . . . . 20.0 110.969 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -130.2 154.76 47.21 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.151 -0.477 . . . . 20.0 110.882 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.5 tt -76.21 -23.04 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 116.196 -0.456 . . . . 20.0 111.58 -173.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 29.5 p30 -153.26 170.95 19.34 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.83 0.348 . . . . 20.0 110.901 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 562' ' ' TYR . . . . . 0.427 ' CD1' ' HE3' ' A' ' 565' ' ' MET . 1.1 t80 -71.85 -34.34 69.18 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.273 -0.421 . . . . 20.0 111.063 -175.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.7 mp0 -55.68 -44.51 77.38 Favored 'General case' 0 CA--C 1.554 1.116 0 O-C-N 122.205 -0.309 . . . . 20.0 110.893 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -69.44 -46.58 66.39 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.623 -0.262 . . . . 20.0 111.176 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 565' ' ' MET . . . . . 0.427 ' HE3' ' CD1' ' A' ' 562' ' ' TYR . 15.2 tmm? -61.93 -46.84 87.56 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 120.673 0.273 . . . . 20.0 111.036 -177.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 31.9 t -59.34 -46.66 88.01 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.488 -0.324 . . . . 20.0 110.741 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 23.0 t -59.83 -43.13 94.72 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.46 -0.336 . . . . 20.0 110.889 177.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -64.83 -48.16 75.36 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 116.399 -0.364 . . . . 20.0 111.339 -177.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 17.2 mt -66.79 -35.08 73.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-O 120.565 0.222 . . . . 20.0 110.782 -177.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -68.19 -42.55 79.74 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.603 -0.271 . . . . 20.0 111.026 176.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 36.8 m -78.59 -35.53 45.65 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.563 -0.29 . . . . 20.0 111.781 -173.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 71.7 t -99.01 -45.91 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 CA-C-O 120.534 0.207 . . . . 20.0 111.486 -170.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -100.16 -4.85 28.76 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 116.676 -0.238 . . . . 20.0 111.448 -174.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 40.0 m 55.78 38.69 30.38 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.678 0.391 . . . . 20.0 111.351 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -134.55 161.85 33.92 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.24 -0.436 . . . . 20.0 110.983 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -110.32 112.24 57.21 Favored Pre-proline 0 CA--C 1.553 1.069 0 CA-C-N 116.141 -0.481 . . . . 20.0 110.586 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -70.81 -16.37 33.12 Favored 'Trans proline' 0 CA--C 1.551 1.34 0 C-N-CA 122.449 2.1 . . . . 20.0 112.79 -178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 47.3 t -79.37 -5.46 54.64 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-O 120.7 0.286 . . . . 20.0 110.97 174.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -77.83 -139.13 1.26 Allowed Glycine 0 CA--C 1.543 1.787 0 CA-C-N 116.488 -0.324 . . . . 20.0 112.306 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -118.45 29.76 7.58 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 120.748 0.309 . . . . 20.0 111.28 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 32.8 p -99.63 -42.3 6.95 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 116.476 -0.329 . . . . 20.0 111.116 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 63.1 mttp 59.01 67.98 0.86 Allowed 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.167 0.508 . . . . 20.0 110.708 -175.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 4.5 mt -93.18 16.85 12.08 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 115.746 -0.661 . . . . 20.0 111.435 -176.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -146.95 161.89 39.85 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.993 0.425 . . . . 20.0 111.204 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -130.24 129.37 43.24 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.742 -0.663 . . . . 20.0 110.172 175.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -97.1 106.53 18.89 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 120.889 0.376 . . . . 20.0 110.492 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -82.24 155.62 69.43 Favored Pre-proline 0 CA--C 1.548 0.883 0 CA-C-N 116.108 -0.496 . . . . 20.0 110.67 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -66.24 160.87 43.01 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.441 2.094 . . . . 20.0 112.369 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 46.4 t -98.54 131.66 44.59 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.997 -0.547 . . . . 20.0 110.342 173.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.95 -14.82 3.06 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 116.514 -0.312 . . . . 20.0 111.568 -176.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 30.0 p -67.42 -21.34 65.57 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 122.19 0.196 . . . . 20.0 111.498 -177.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.5 pp -138.28 166.03 25.23 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 120.836 0.35 . . . . 20.0 110.822 177.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -88.74 107.68 19.08 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 116.216 -0.447 . . . . 20.0 111.569 -170.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 30.1 pt -145.35 170.99 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 CA-C-N 115.845 -0.616 . . . . 20.0 110.033 170.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 595' ' ' ARG . . . . . 0.47 HH22 " H1'" ' E' ' 27' ' ' ' DG' . 13.4 ptt180 -76.1 143.66 41.15 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 109.969 -0.382 . . . . 20.0 109.969 171.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -129.6 122.86 29.94 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.945 0.402 . . . . 20.0 110.557 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -67.24 156.36 36.51 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.861 -0.609 . . . . 20.0 111.138 -176.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.75 -12.15 61.41 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-N 116.245 -0.434 . . . . 20.0 111.785 -174.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -80.08 -16.59 54.68 Favored 'General case' 0 CA--C 1.555 1.154 0 O-C-N 122.498 -0.126 . . . . 20.0 111.335 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.07 -39.87 28.8 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 110.292 -0.262 . . . . 20.0 110.292 169.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 23.0 t -55.36 -70.01 0.12 Allowed 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.957 -0.565 . . . . 20.0 110.853 -175.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -156.79 137.81 13.54 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 120.742 0.306 . . . . 20.0 110.752 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.84 161.93 11.9 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 121.056 0.455 . . . . 20.0 111.304 -177.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 89.2 p . . . . . 0 N--CA 1.478 0.928 0 CA-C-N 115.925 -0.58 . . . . 20.0 110.988 178.918 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.654 0 O4'-C4'-C3' 107.733 2.133 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.721 0 O4'-C4'-C3' 108.757 3.157 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.535 0 O5'-C5'-C4' 113.971 2.694 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.54 0 O5'-C5'-C4' 115.16 3.543 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.356 0 P-O3'-C3' 123.352 3.044 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.377 0 O5'-C5'-C4' 114.618 3.156 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.637 4.374 0 O5'-C5'-C4' 115.717 3.941 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.024 0 P-O3'-C3' 122.996 2.746 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.219 0 C1'-O4'-C4' 104.329 -3.836 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.848 0 C5'-C4'-C3' 110.085 -3.077 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.23 0 P-O3'-C3' 123.425 3.104 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.07 0 C1'-O4'-C4' 106.285 -2.439 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.092 0 O4'-C4'-C3' 108.45 2.85 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.118 0 O4'-C4'-C3' 108.526 2.926 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.275 0 O4'-C4'-C3' 108.439 2.839 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.198 0 O4'-C4'-C3' 108.366 2.766 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.032 0 O4'-C4'-C3' 108.542 2.942 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.978 0 O4'-C4'-C3' 108.486 2.886 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.102 0 P-O3'-C3' 123.143 2.869 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.556 0 C1'-O4'-C4' 105.783 -2.798 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.638 0 O5'-C5'-C4' 113.988 2.706 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.344 0 O5'-C5'-C4' 113.811 2.579 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.734 0 O4'-C4'-C3' 108.702 3.102 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.547 0 O4'-C4'-C3' 108.678 3.078 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.759 0 O5'-C5'-C4' 115.67 3.907 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.977 0 C1'-O4'-C4' 104.611 -3.635 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 27' ' ' ' DG' . . . . . 0.47 " H1'" HH22 ' A' ' 595' ' ' ARG . . . . . . . . 0 P--O5' 1.626 3.277 2 C3'-C2'-C1' 94.781 -5.656 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.586 0 O3'-P-O5' 98.264 -3.019 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.744 0 O5'-C5'-C4' 114.931 3.379 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.639 4.633 0 O5'-C5'-C4' 114.617 3.155 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.221 1 C1'-O4'-C4' 103.61 -4.35 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.644 2 P-O3'-C3' 125.616 4.93 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.959 0 O5'-C5'-C4' 115.281 3.629 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.587 0 P-O3'-C3' 123.279 2.983 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.447 0 P-O3'-C3' 123.083 2.819 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.593 0 O4'-C4'-C3' 108.602 3.002 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.505 0 O4'-C4'-C3' 108.52 2.92 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.187 0 P-O3'-C3' 122.967 2.722 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 703' ' ' ' ZN' . . . . . 0.878 'ZN ' ' HG ' ' A' ' 552' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.837 0 CA-C-O 120.914 0.388 . . . . 20.0 110.702 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -75.19 146.55 41.15 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 116.293 -0.412 . . . . 20.0 110.704 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -80.17 164.6 23.17 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 116.24 -0.437 . . . . 20.0 110.987 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 64.1 ttp85 -70.6 101.24 1.99 Allowed 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 116.086 -0.506 . . . . 20.0 110.645 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 41.4 tpp -160.03 156.71 27.43 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 116.065 -0.516 . . . . 20.0 110.417 -177.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -117.39 49.55 1.2 Allowed 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 120.901 0.381 . . . . 20.0 110.907 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 2.0 p -171.37 126.81 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 116.107 -0.497 . . . . 20.0 110.027 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -170.78 137.25 1.26 Allowed 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 116.51 -0.314 . . . . 20.0 110.275 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -158.61 79.47 0.8 Allowed 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 121.153 0.501 . . . . 20.0 111.405 173.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -108.47 -6.5 16.11 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 115.642 -0.708 . . . . 20.0 110.974 172.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 18.4 p30 -112.54 5.66 18.05 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 116.419 -0.355 . . . . 20.0 111.393 -176.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 483' ' ' HIS . . . . . 0.481 ' HB3' HD21 ' A' ' 509' ' ' LEU . 44.9 p-80 -161.16 174.93 12.94 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 120.935 0.398 . . . . 20.0 111.199 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -135.15 159.03 42.81 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.631 -0.713 . . . . 20.0 110.027 169.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 45.6 mp0 -104.61 129.19 52.75 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.968 0.413 . . . . 20.0 110.841 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 13.8 tp -126.34 111.87 15.01 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.896 -0.593 . . . . 20.0 110.163 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 27.7 mt -84.11 125.4 40.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 120.93 0.395 . . . . 20.0 110.748 -176.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 45.6 t -138.32 126.81 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 115.829 -0.623 . . . . 20.0 110.202 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 39.9 t0 50.64 38.04 17.98 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 121.01 0.433 . . . . 20.0 111.162 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 88.08 -21.88 21.69 Favored Glycine 0 CA--C 1.547 2.091 0 CA-C-N 116.18 -0.464 . . . . 20.0 113.054 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -89.87 138.56 31.39 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 116.905 0.353 . . . . 20.0 111.009 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 53.2 t -80.01 125.01 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.151 171.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -108.16 111.69 23.83 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.895 0.379 . . . . 20.0 110.393 175.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -79.87 122.12 26.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.172 -0.467 . . . . 20.0 110.304 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.9 mt -114.71 129.47 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 120.858 0.361 . . . . 20.0 110.89 -172.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 5.3 t -65.84 137.98 57.58 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.135 -0.484 . . . . 20.0 110.595 176.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 27.1 pt -70.56 -38.93 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 111.739 0.274 . . . . 20.0 111.739 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 44.7 t -60.92 -64.39 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-O 120.649 0.262 . . . . 20.0 111.665 -176.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 29.2 p -105.13 -5.67 20.58 Favored 'General case' 0 CA--C 1.557 1.227 0 N-CA-C 112.412 0.523 . . . . 20.0 112.412 -169.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 59.96 38.14 21.05 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 122.693 0.397 . . . . 20.0 111.78 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -81.22 131.45 35.3 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 109.99 -0.374 . . . . 20.0 109.99 169.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 29.9 p -96.1 143.31 27.35 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 120.982 0.42 . . . . 20.0 111.253 -175.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -133.49 135.41 44.44 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.65 -0.705 . . . . 20.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 57.2 t -75.28 -17.22 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 CA-C-N 116.016 -0.538 . . . . 20.0 110.949 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 71.2 m -135.39 136.68 41.64 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.427 -0.352 . . . . 20.0 110.888 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 14.7 mt -55.49 -35.7 65.85 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 116.349 -0.387 . . . . 20.0 110.793 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 32.7 p -52.02 -45.31 64.56 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.534 -0.303 . . . . 20.0 110.978 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 19.2 m -66.26 -38.91 88.97 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.534 -0.303 . . . . 20.0 111.014 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.481 HD21 ' HB3' ' A' ' 483' ' ' HIS . 6.1 tp -63.2 -47.59 81.91 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 116.499 -0.319 . . . . 20.0 110.962 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -46.21 89.45 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 120.774 0.321 . . . . 20.0 110.257 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -51.38 -47.46 62.85 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.85 -0.614 . . . . 20.0 110.839 172.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -71.14 -45.01 64.4 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 116.24 -0.436 . . . . 20.0 111.519 -173.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -60.95 -24.7 66.28 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 120.549 0.214 . . . . 20.0 111.287 -173.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -22.0 60.3 Favored 'General case' 0 CA--C 1.562 1.41 0 CA-C-N 116.679 -0.237 . . . . 20.0 111.306 175.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 32.0 mt -77.72 -19.56 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 122.352 0.261 . . . . 20.0 111.13 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -96.11 -44.27 7.38 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.623 0.249 . . . . 20.0 110.88 177.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 84.5 p -78.59 -34.19 46.98 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.506 -0.316 . . . . 20.0 111.345 -176.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 52.6 m95 51.9 34.69 14.01 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-O 121.107 0.479 . . . . 20.0 110.915 -173.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -69.52 -31.32 69.47 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 116.033 -0.53 . . . . 20.0 111.318 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -123.24 133.16 54.22 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 116.508 -0.314 . . . . 20.0 110.547 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -100.75 145.36 28.6 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.067 -0.515 . . . . 20.0 110.833 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -126.94 79.87 72.1 Favored Pre-proline 0 CA--C 1.55 0.967 0 CA-C-N 115.971 -0.558 . . . . 20.0 110.428 173.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.62 151.18 32.2 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.704 2.269 . . . . 20.0 112.533 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 43.9 t -86.64 142.64 28.09 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 116.079 -0.51 . . . . 20.0 110.772 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.14 -34.91 64.03 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 116.583 -0.281 . . . . 20.0 111.143 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -84.91 -26.6 27.16 Favored 'General case' 0 CA--C 1.557 1.219 0 CA-C-N 116.312 -0.403 . . . . 20.0 111.926 -171.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.9 p -140.03 160.41 39.98 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 120.862 0.363 . . . . 20.0 110.871 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -85.8 32.25 0.6 Allowed 'General case' 0 CA--C 1.563 1.443 0 CA-C-N 116.402 -0.363 . . . . 20.0 111.94 -170.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -94.39 163.57 13.37 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 120.829 0.347 . . . . 20.0 111.004 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 10.6 t -133.39 137.79 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 CA-C-N 115.99 -0.55 . . . . 20.0 110.964 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -106.97 152.11 40.86 Favored Pre-proline 0 CA--C 1.543 0.69 0 CA-C-N 115.977 -0.556 . . . . 20.0 110.754 176.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -83.03 -5.52 11.3 Favored 'Trans proline' 0 CA--C 1.551 1.348 0 C-N-CA 122.885 2.39 . . . . 20.0 112.629 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.4 mp -132.96 144.79 50.36 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.559 0.344 . . . . 20.0 110.506 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.29 91.45 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 116.312 -0.404 . . . . 20.0 111.057 176.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -61.92 -47.68 83.82 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.551 -0.295 . . . . 20.0 110.824 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -60.49 -35.56 76.22 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.457 -0.338 . . . . 20.0 110.766 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 537' ' ' ARG . . . . . 0.46 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -58.4 -59.28 5.6 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.288 -0.414 . . . . 20.0 110.342 171.32 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 538' ' ' THR . . . . . 0.46 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 96.0 m -57.1 -51.19 70.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.129 -0.487 . . . . 20.0 111.121 -172.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -61.21 -37.44 83.02 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.699 -0.228 . . . . 20.0 111.022 -177.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -68.92 -43.17 75.68 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.542 0.21 . . . . 20.0 110.928 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -65.46 -31.62 72.8 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 116.795 -0.184 . . . . 20.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 41.7 mt -62.1 -43.67 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 110.326 -0.25 . . . . 20.0 110.326 171.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -62.25 -32.71 73.44 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 116.502 -0.317 . . . . 20.0 110.906 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -72.26 -42.76 65.24 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 120.725 0.298 . . . . 20.0 110.936 173.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 10.6 m -76.28 -24.5 54.45 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 116.247 -0.433 . . . . 20.0 111.313 -173.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 84.74 8.92 82.07 Favored Glycine 0 CA--C 1.546 1.975 0 C-N-CA 121.62 -0.324 . . . . 20.0 112.923 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.79 121.65 14.52 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 117.007 0.403 . . . . 20.0 111.278 -176.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -83.09 137.14 34.22 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 116.269 -0.423 . . . . 20.0 110.214 170.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 9.9 ptm85 -129.76 -36.14 1.63 Allowed 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 116.43 -0.35 . . . . 20.0 111.53 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -94.96 108.92 20.98 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 110.491 -0.189 . . . . 20.0 110.491 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -103.63 129.47 50.93 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.768 0.318 . . . . 20.0 110.757 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 42.0 t -68.11 146.31 53.58 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.152 -0.476 . . . . 20.0 110.262 171.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 87.6 mt -102.53 -17.63 15.66 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 120.544 0.211 . . . . 20.0 111.367 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.05 -48.73 22.5 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-O 120.524 0.202 . . . . 20.0 111.128 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.4 p -120.06 -1.26 10.4 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 111.935 0.346 . . . . 20.0 111.935 -176.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 79.94 0.65 85.91 Favored Glycine 0 CA--C 1.554 2.523 0 C-N-CA 121.126 -0.559 . . . . 20.0 113.453 172.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -70.14 139.08 52.38 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 117.351 0.576 . . . . 20.0 111.008 -177.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 21.4 m -105.16 144.6 31.73 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 116.321 -0.4 . . . . 20.0 111.094 -177.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -131.47 158.45 40.81 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 116.201 -0.454 . . . . 20.0 111.072 -175.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 5.7 tt -84.86 -26.28 6.82 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 CA-C-N 116.094 -0.503 . . . . 20.0 111.693 -172.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 41.2 p30 -153.82 172.78 16.81 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-O 120.864 0.364 . . . . 20.0 111.283 -178.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -67.82 -35.88 79.4 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.103 -0.499 . . . . 20.0 111.195 -175.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.2 mp0 -61.72 -48.52 80.38 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 116.515 -0.312 . . . . 20.0 111.005 -174.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -68.14 -44.33 76.29 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.633 -0.258 . . . . 20.0 110.868 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -56.81 -50.23 72.98 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 120.679 0.276 . . . . 20.0 111.072 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 36.6 t -58.73 -46.49 87.26 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.604 -0.271 . . . . 20.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 23.0 t -58.41 -41.19 84.39 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.757 0.313 . . . . 20.0 111.105 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -63.32 -50.6 69.37 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.542 -0.299 . . . . 20.0 111.159 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 63.5 mt -64.75 -37.66 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-O 120.534 0.207 . . . . 20.0 110.598 -176.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -64.71 -46.68 81.28 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.681 -0.236 . . . . 20.0 111.163 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 23.7 p -77.48 -33.08 54.64 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 111.711 0.263 . . . . 20.0 111.711 -174.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 69.2 t -95.18 -50.46 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 111.457 0.169 . . . . 20.0 111.457 -173.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -100.08 -1.19 37.47 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-N 116.656 -0.247 . . . . 20.0 111.658 -172.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 36.4 m 56.89 35.83 26.9 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 122.606 0.362 . . . . 20.0 111.285 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -139.83 160.85 38.96 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.283 -0.417 . . . . 20.0 110.513 177.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -113.59 137.91 22.38 Favored Pre-proline 0 CA--C 1.551 1.017 0 CA-C-N 116.415 -0.357 . . . . 20.0 110.389 177.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -66.5 -18.86 54.96 Favored 'Trans proline' 0 CA--C 1.549 1.27 0 C-N-CA 122.586 2.191 . . . . 20.0 112.515 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 8.5 t -73.41 -10.67 59.98 Favored 'General case' 0 CA--C 1.556 1.211 0 CA-C-N 116.358 -0.383 . . . . 20.0 111.26 177.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -76.57 -162.63 14.59 Favored Glycine 0 CA--C 1.543 1.826 0 C-N-CA 121.655 -0.307 . . . . 20.0 112.437 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -106.55 29.79 6.6 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 120.758 0.313 . . . . 20.0 111.326 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 68.4 m -97.61 -36.0 10.42 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 116.484 -0.325 . . . . 20.0 111.115 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt 58.3 73.79 0.46 Allowed 'General case' 0 N--CA 1.5 2.049 0 CA-C-O 121.199 0.523 . . . . 20.0 110.677 -175.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 2.4 mt -101.48 17.77 21.9 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 115.737 -0.665 . . . . 20.0 111.608 -170.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -148.75 164.19 35.11 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 120.95 0.405 . . . . 20.0 111.332 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -139.42 146.05 39.65 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.84 -0.618 . . . . 20.0 110.52 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -103.48 124.57 49.0 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.892 0.377 . . . . 20.0 110.817 -177.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -99.49 151.0 37.28 Favored Pre-proline 0 CA--C 1.556 1.21 0 CA-C-N 116.071 -0.513 . . . . 20.0 110.552 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.5 146.09 65.41 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.793 2.329 . . . . 20.0 113.023 -175.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 43.0 t -85.25 119.37 25.56 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.981 -0.554 . . . . 20.0 110.042 170.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -134.17 -10.57 2.58 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 112.016 0.376 . . . . 20.0 112.016 -171.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 24.7 m -74.14 -19.08 60.69 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 111.597 0.221 . . . . 20.0 111.597 -174.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.3 pp -139.85 167.25 22.55 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 120.769 0.319 . . . . 20.0 110.809 176.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -78.41 113.42 16.39 Favored 'General case' 0 CA--C 1.556 1.207 0 CA-C-N 116.112 -0.495 . . . . 20.0 111.624 -170.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 23.0 pt -144.09 168.58 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 CA-C-N 115.861 -0.608 . . . . 20.0 110.204 173.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 595' ' ' ARG . . . . . 0.468 HH22 " H1'" ' E' ' 27' ' ' ' DG' . 19.4 ptt180 -69.25 141.56 54.38 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 110.056 -0.349 . . . . 20.0 110.056 170.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -112.0 91.5 3.68 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.007 0.432 . . . . 20.0 110.669 -173.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -56.22 142.74 36.19 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.83 -0.623 . . . . 20.0 110.993 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -65.51 -15.89 63.13 Favored 'General case' 0 CA--C 1.559 1.294 0 CA-C-N 116.443 -0.344 . . . . 20.0 111.902 -175.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -80.04 -19.04 48.54 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 122.398 -0.189 . . . . 20.0 111.103 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.14 -32.62 16.58 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 120.766 0.317 . . . . 20.0 110.632 169.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 1.5 t -73.58 -3.59 28.83 Favored 'General case' 0 CA--C 1.557 1.243 0 CA-C-N 116.252 -0.431 . . . . 20.0 111.717 -175.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -128.67 134.16 48.43 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 120.795 0.331 . . . . 20.0 110.601 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -139.12 142.55 38.07 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 116.222 -0.444 . . . . 20.0 111.074 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 N--CA 1.478 0.951 0 CA-C-N 116.07 -0.514 . . . . 20.0 110.912 179.007 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.155 0 O5'-C5'-C4' 114.139 2.814 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.679 0 O4'-C4'-C3' 108.549 2.949 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.477 0 O5'-C5'-C4' 113.997 2.712 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.568 0 O5'-C5'-C4' 115.255 3.611 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.13 0 P-O3'-C3' 123.594 3.245 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.841 0 O4'-C4'-C3' 108.617 3.017 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.687 0 O4'-C4'-C3' 109.289 3.689 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.825 0 O4'-C4'-C3' 108.853 3.253 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.519 0 C3'-C2'-C1' 98.078 -3.301 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.798 0 C5'-C4'-C3' 110.512 -2.792 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.511 0 P-O3'-C3' 123.896 3.496 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.384 0 P-O3'-C3' 123.117 2.847 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.358 0 P-O3'-C3' 123.001 2.751 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.653 0 P-O3'-C3' 123.914 3.512 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.415 0 P-O3'-C3' 123.099 2.833 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.606 0 O5'-C5'-C4' 114.412 3.008 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.425 0 O4'-C4'-C3' 108.864 3.264 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.556 0 O4'-C4'-C3' 109.025 3.425 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.339 0 C1'-O4'-C4' 105.94 -2.686 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.659 0 C1'-O4'-C4' 105.893 -2.719 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.729 0 O5'-C5'-C4' 113.962 2.687 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.449 0 O4'-C4'-C3' 108.285 2.685 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.833 0 P-O3'-C3' 123.354 3.045 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.983 0 O5'-C5'-C4' 114.26 2.9 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.257 0 O5'-C5'-C4' 114.39 2.993 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.437 0 O5'-C5'-C4' 115.058 3.47 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 27' ' ' ' DG' . . . . . 0.468 " H1'" HH22 ' A' ' 595' ' ' ARG . . . . . . . . 0 C5'--C4' 1.542 3.904 1 C3'-C2'-C1' 95.291 -5.292 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.757 0 P-O3'-C3' 122.918 2.682 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.244 0 C3'-C2'-C1' 105.74 2.171 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.036 1 O5'-C5'-C4' 117.857 5.469 . . . . 20.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.032 0 C1'-O4'-C4' 105.806 -2.781 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.453 0 O5'-C5'-C4' 113.785 2.561 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.732 0 O5'-C5'-C4' 114.623 3.159 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.344 0 P-O3'-C3' 123.116 2.847 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.391 0 P-O3'-C3' 123.132 2.86 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.793 0 O4'-C4'-C3' 108.711 3.111 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.697 0 O4'-C4'-C3' 108.641 3.041 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.154 0 P-O3'-C3' 122.879 2.649 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.775 0 CA-C-O 120.852 0.358 . . . . 20.0 110.834 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -77.82 151.45 33.96 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 116.234 -0.439 . . . . 20.0 110.814 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -148.76 146.49 28.08 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 116.203 -0.453 . . . . 20.0 110.627 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 9.4 ptp85 -149.71 151.59 33.91 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 116.263 -0.426 . . . . 20.0 110.847 178.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -143.39 142.47 31.26 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 116.317 -0.401 . . . . 20.0 110.931 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -47.0 117.56 1.74 Allowed 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 116.202 -0.454 . . . . 20.0 111.521 -176.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 8.5 p -144.18 151.79 15.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 CA-C-N 115.63 -0.714 . . . . 20.0 110.542 -178.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -111.49 159.0 18.5 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 116.443 -0.344 . . . . 20.0 110.898 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -139.42 166.05 25.6 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 116.256 -0.429 . . . . 20.0 110.993 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -80.03 60.03 3.44 Favored 'General case' 0 CA--C 1.557 1.241 0 CA-C-N 116.178 -0.465 . . . . 20.0 110.691 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 482' ' ' ASP . . . . . 0.426 ' CG ' HH12 ' A' ' 510' ' ' ARG . 10.9 p30 -109.79 0.57 18.87 Favored 'General case' 0 CA--C 1.556 1.196 0 CA-C-N 116.066 -0.515 . . . . 20.0 111.084 -176.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -160.21 173.82 15.16 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.51 0.324 . . . . 20.0 110.658 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -133.87 153.92 51.41 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.143 -0.48 . . . . 20.0 110.321 169.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -108.21 141.7 39.56 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.072 0.463 . . . . 20.0 110.999 -174.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 17.3 tp -137.04 115.46 11.85 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.719 -0.673 . . . . 20.0 110.321 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 33.2 mt -85.74 121.84 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-O 120.92 0.39 . . . . 20.0 110.542 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 42.3 t -137.0 129.04 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 115.817 -0.629 . . . . 20.0 110.12 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.74 36.13 20.36 Favored 'General case' 0 CA--C 1.565 1.538 0 CA-C-O 120.954 0.406 . . . . 20.0 111.227 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 78.89 5.13 88.79 Favored Glycine 0 CA--C 1.549 2.188 0 CA-C-N 116.375 -0.375 . . . . 20.0 112.862 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -113.19 137.27 51.72 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.511 0.325 . . . . 20.0 110.68 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 81.0 t -79.98 120.33 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 N-CA-C 110.249 -0.278 . . . . 20.0 110.249 174.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -101.88 151.42 22.11 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.218 172.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -116.51 127.22 54.34 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.215 -0.448 . . . . 20.0 109.978 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.3 mt -120.69 131.65 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.02 0.438 . . . . 20.0 111.206 -169.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 11.6 t -68.52 136.52 53.27 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.897 -0.592 . . . . 20.0 110.762 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 16.8 pt -68.62 -40.04 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 116.678 -0.237 . . . . 20.0 111.487 -176.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 49.1 t -60.89 -65.42 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 N-CA-C 111.929 0.344 . . . . 20.0 111.929 -176.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.7 p -105.11 -4.57 21.71 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 112.541 0.571 . . . . 20.0 112.541 -169.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 62.7 mttp 60.77 35.28 19.61 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 122.629 0.372 . . . . 20.0 111.891 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 501' ' ' ARG . . . . . 0.424 HH21 " H3'" ' D' ' 8' ' ' ' DC' . 1.8 mtp180 -71.89 129.65 39.11 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 110.003 -0.369 . . . . 20.0 110.003 169.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 30.8 p -95.33 144.98 25.43 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 120.958 0.409 . . . . 20.0 111.179 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -140.23 144.34 36.46 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.854 -0.612 . . . . 20.0 111.128 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 82.1 t -82.04 -17.21 11.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-N 115.946 -0.57 . . . . 20.0 110.84 175.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 59.6 m -135.75 135.15 39.73 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 120.826 0.346 . . . . 20.0 111.186 -177.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.87 -33.26 68.51 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 116.295 -0.411 . . . . 20.0 110.841 175.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 24.0 p -52.62 -45.51 66.63 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 120.707 0.289 . . . . 20.0 110.899 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 18.3 m -66.63 -41.43 88.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.425 -0.352 . . . . 20.0 110.924 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 6.3 tp -62.13 -47.06 86.26 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 116.43 -0.35 . . . . 20.0 111.013 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 510' ' ' ARG . . . . . 0.426 HH12 ' CG ' ' A' ' 482' ' ' ASP . 0.0 OUTLIER -63.63 -46.73 84.34 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 120.642 0.258 . . . . 20.0 110.679 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -56.0 -40.58 73.55 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 116.211 -0.45 . . . . 20.0 110.929 175.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -71.51 -45.15 63.21 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 116.471 -0.331 . . . . 20.0 111.426 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -59.74 -23.41 63.18 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 111.554 0.205 . . . . 20.0 111.554 -173.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.92 -26.4 62.16 Favored 'General case' 0 CA--C 1.562 1.442 0 C-N-CA 122.184 0.194 . . . . 20.0 110.989 175.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 35.1 mt -74.9 -20.15 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 122.482 0.313 . . . . 20.0 111.13 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -95.46 -44.76 7.39 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.641 0.258 . . . . 20.0 110.882 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 91.8 p -71.95 -37.06 70.04 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.437 -0.347 . . . . 20.0 111.324 -176.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 73.5 m95 50.35 31.57 5.47 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 121.195 0.522 . . . . 20.0 110.478 -169.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.3 -31.73 64.2 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.814 -0.63 . . . . 20.0 110.65 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -126.9 113.52 16.65 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.071 -0.513 . . . . 20.0 110.34 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -93.69 151.01 19.94 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 116.284 -0.416 . . . . 20.0 110.926 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -128.22 80.24 72.63 Favored Pre-proline 0 CA--C 1.552 1.039 0 CA-C-N 116.049 -0.523 . . . . 20.0 110.5 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -69.52 141.27 45.76 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.834 2.356 . . . . 20.0 112.395 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 53.4 t -74.98 143.06 43.81 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.278 -0.419 . . . . 20.0 110.608 174.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -76.07 -39.59 55.05 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 120.772 0.32 . . . . 20.0 111.031 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -84.32 -20.88 31.33 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-N 116.033 -0.531 . . . . 20.0 111.979 -169.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.9 p -142.27 163.42 32.9 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 120.791 0.329 . . . . 20.0 110.677 174.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -87.41 28.98 0.9 Allowed 'General case' 0 CA--C 1.562 1.434 0 N-CA-C 112.269 0.47 . . . . 20.0 112.269 -169.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.14 163.67 13.37 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 120.864 0.364 . . . . 20.0 111.103 176.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 21.3 t -128.53 138.44 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 116.025 -0.534 . . . . 20.0 110.851 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -106.44 150.84 40.0 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 116.028 -0.533 . . . . 20.0 110.605 175.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -86.23 -5.68 8.42 Favored 'Trans proline' 0 CA--C 1.55 1.285 0 C-N-CA 122.91 2.407 . . . . 20.0 112.617 176.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.8 mp -132.18 140.92 48.91 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.581 0.352 . . . . 20.0 110.106 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.04 94.24 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 120.634 0.254 . . . . 20.0 111.016 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.0 -39.53 93.58 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 116.667 -0.242 . . . . 20.0 111.052 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -59.71 -39.18 83.77 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 120.447 0.165 . . . . 20.0 110.605 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -50.77 69.56 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.548 -0.296 . . . . 20.0 110.504 173.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 37.7 m -53.61 -51.34 63.36 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 116.629 -0.259 . . . . 20.0 111.055 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -58.24 -38.26 76.53 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 120.578 0.227 . . . . 20.0 111.096 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -70.32 -40.96 73.88 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 120.581 0.229 . . . . 20.0 111.052 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -68.94 -27.93 66.19 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-O 120.556 0.217 . . . . 20.0 110.786 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 14.3 mt -66.01 -30.42 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 116.552 -0.295 . . . . 20.0 110.382 169.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -74.98 -28.65 60.64 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.281 -0.418 . . . . 20.0 111.125 175.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -76.2 -41.76 48.42 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 120.788 0.327 . . . . 20.0 110.908 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 18.6 p -82.21 -16.81 48.32 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 116.221 -0.445 . . . . 20.0 111.433 -176.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 78.94 14.56 81.87 Favored Glycine 0 CA--C 1.544 1.863 0 C-N-CA 121.522 -0.371 . . . . 20.0 112.801 175.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.7 109.82 1.53 Allowed 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.863 0.363 . . . . 20.0 111.0 -177.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -97.07 96.69 8.64 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.297 -0.41 . . . . 20.0 110.519 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 -95.61 -24.34 16.62 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 115.975 -0.557 . . . . 20.0 111.928 -171.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -88.02 93.88 9.62 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.842 0.353 . . . . 20.0 110.471 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -95.39 128.94 42.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.299 -0.41 . . . . 20.0 110.918 -176.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 44.5 t -69.16 146.97 52.01 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.046 -0.525 . . . . 20.0 109.898 170.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 95.6 mt -103.79 -16.58 15.38 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 116.762 -0.199 . . . . 20.0 111.235 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.06 -48.49 23.67 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 116.655 -0.248 . . . . 20.0 111.17 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.9 p -120.01 -3.49 10.14 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 111.97 0.359 . . . . 20.0 111.97 -175.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 82.5 -3.13 83.51 Favored Glycine 0 CA--C 1.556 2.65 0 C-N-CA 121.1 -0.571 . . . . 20.0 113.513 172.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -69.74 139.9 53.39 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 117.379 0.59 . . . . 20.0 111.04 -176.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 19.7 m -104.69 144.71 31.36 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 116.343 -0.389 . . . . 20.0 111.344 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -132.1 161.41 33.35 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.957 -0.565 . . . . 20.0 110.677 -179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -83.83 -24.52 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 N-CA-C 111.989 0.366 . . . . 20.0 111.989 -169.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 34.6 p30 -152.67 173.55 15.09 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 120.978 0.418 . . . . 20.0 111.432 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -65.58 -35.82 81.94 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.972 -0.558 . . . . 20.0 111.131 -176.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -63.05 -44.11 96.74 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 116.393 -0.367 . . . . 20.0 110.91 -174.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -69.33 -47.83 63.27 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.543 -0.299 . . . . 20.0 111.114 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -40.3 95.99 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 120.489 0.185 . . . . 20.0 110.838 -177.132 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 47.1 t -63.32 -46.97 84.19 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.745 -0.207 . . . . 20.0 110.71 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 21.7 t -60.64 -38.0 83.36 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.895 0.379 . . . . 20.0 110.994 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -65.1 -47.59 76.67 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.427 -0.351 . . . . 20.0 110.969 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 73.8 mt -63.98 -44.47 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 120.461 0.172 . . . . 20.0 111.015 -176.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -65.53 -37.14 85.87 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 121.342 -0.143 . . . . 20.0 111.267 -176.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 78.7 p -89.87 -28.52 19.19 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 111.905 0.335 . . . . 20.0 111.905 -171.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 70.6 t -95.46 -48.86 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 CA-C-O 120.548 0.213 . . . . 20.0 111.161 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -100.02 -4.94 28.92 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 116.557 -0.292 . . . . 20.0 111.561 -173.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 45.0 m 55.25 38.37 30.28 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 122.572 0.349 . . . . 20.0 111.401 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -130.83 165.63 22.6 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 120.936 0.398 . . . . 20.0 111.134 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -109.09 115.36 56.97 Favored Pre-proline 0 CA--C 1.556 1.187 0 CA-C-N 116.002 -0.544 . . . . 20.0 110.653 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -70.46 -15.38 34.46 Favored 'Trans proline' 0 CA--C 1.551 1.354 0 C-N-CA 122.479 2.119 . . . . 20.0 112.836 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 28.4 t -83.98 2.01 40.93 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 116.765 -0.198 . . . . 20.0 111.266 177.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -84.6 -139.92 4.62 Favored Glycine 0 CA--C 1.542 1.748 0 N-CA-C 112.433 -0.267 . . . . 20.0 112.433 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -120.09 29.7 7.38 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-O 120.965 0.412 . . . . 20.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 22.5 m -109.2 0.79 19.88 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 116.285 -0.416 . . . . 20.0 111.415 -176.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 8.8 mptt 21.19 74.67 0.02 OUTLIER 'General case' 0 N--CA 1.514 2.769 0 O-C-N 123.662 0.601 . . . . 20.0 112.601 -175.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 17.2 mt -91.43 9.75 30.46 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 116.526 -0.306 . . . . 20.0 111.772 -175.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -144.68 155.79 43.76 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.043 0.449 . . . . 20.0 111.343 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -132.78 134.29 44.52 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.695 -0.684 . . . . 20.0 110.083 175.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -103.8 111.82 24.5 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 120.941 0.4 . . . . 20.0 110.769 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -85.95 158.17 56.35 Favored Pre-proline 0 CA--C 1.555 1.149 0 CA-C-N 116.125 -0.488 . . . . 20.0 110.969 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -64.9 158.52 50.85 Favored 'Trans proline' 0 CA--C 1.546 1.096 0 C-N-CA 122.376 2.051 . . . . 20.0 112.147 174.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 27.0 t -93.32 126.85 38.66 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 116.31 -0.404 . . . . 20.0 110.382 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -116.36 -18.98 10.34 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 116.571 -0.286 . . . . 20.0 111.525 -176.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 39.4 m -69.48 -23.1 63.59 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 111.6 0.222 . . . . 20.0 111.6 -175.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.2 pp -145.1 163.56 33.93 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 120.767 0.318 . . . . 20.0 110.945 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -83.25 119.47 24.61 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 116.208 -0.451 . . . . 20.0 111.523 -170.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 25.9 pt -144.52 169.44 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-N 115.767 -0.652 . . . . 20.0 110.085 173.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 595' ' ' ARG . . . . . 0.421 HH22 " H1'" ' E' ' 27' ' ' ' DG' . 22.8 ptt180 -72.39 137.82 46.79 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 110.09 -0.337 . . . . 20.0 110.09 171.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -112.04 96.22 5.92 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.152 -0.476 . . . . 20.0 110.7 -171.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -65.73 153.35 42.02 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 116.012 -0.54 . . . . 20.0 111.134 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.06 -13.34 62.38 Favored 'General case' 0 CA--C 1.559 1.3 0 CA-C-N 116.024 -0.535 . . . . 20.0 111.966 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -80.37 -24.09 40.01 Favored 'General case' 0 CA--C 1.554 1.105 0 O-C-N 122.387 -0.195 . . . . 20.0 111.114 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.73 -30.62 36.22 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 120.93 0.395 . . . . 20.0 110.201 169.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 7.1 t -73.79 4.13 5.61 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-N 115.874 -0.603 . . . . 20.0 111.434 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -57.47 147.07 27.6 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-O 121.023 0.44 . . . . 20.0 111.06 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -138.55 146.94 42.49 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 116.079 -0.509 . . . . 20.0 110.661 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 N--CA 1.478 0.973 0 CA-C-N 116.21 -0.45 . . . . 20.0 110.83 178.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.142 0 O5'-C5'-C4' 114.176 2.84 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.646 0 O4'-C4'-C3' 108.518 2.918 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.599 0 O5'-C5'-C4' 114.018 2.727 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.666 0 O5'-C5'-C4' 115.015 3.44 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.221 0 O5'-C5'-C4' 114.599 3.142 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.586 0 P-O3'-C3' 124.031 3.61 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.591 0 O4'-C4'-C3' 108.968 3.368 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 8' ' ' ' DC' . . . . . 0.424 " H3'" HH21 ' A' ' 501' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.111 0 P-O3'-C3' 122.971 2.726 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.888 1 C3'-C2'-C1' 96.368 -4.523 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.018 0 O3'-P-O5' 98.11 -3.1 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.647 0 P-O3'-C3' 123.607 3.256 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.093 0 P-O3'-C3' 122.808 2.59 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.355 0 O4'-C4'-C3' 108.529 2.929 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.416 0 O4'-C4'-C3' 108.838 3.238 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.335 0 O4'-C4'-C3' 108.491 2.891 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.528 0 P-O3'-C3' 123.244 2.953 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.437 1 O5'-C5'-C4' 116.417 4.44 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 0 O4'-C4'-C3' 108.894 3.294 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.3 0 C1'-O4'-C4' 106.261 -2.456 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.949 0 O4'-C4'-C3' 108.596 2.996 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.666 0 O5'-C5'-C4' 113.897 2.641 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.448 0 O4'-C4'-C3' 108.41 2.81 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.652 0 P-O3'-C3' 123.434 3.111 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.592 0 O5'-C5'-C4' 114.48 3.057 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.387 0 O4'-C4'-C3' 108.589 2.989 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.643 1 O5'-C5'-C4' 115.815 4.011 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 27' ' ' ' DG' . . . . . 0.421 " H1'" HH22 ' A' ' 595' ' ' ARG . . . . . . . . 0 P--O5' 1.63 3.658 2 C3'-C2'-C1' 94.683 -5.727 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.611 0 O4'-C4'-C3' 108.792 3.192 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.895 0 O4'-C4'-C3' 109.141 3.541 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.72 0 O4'-C4'-C3' 108.747 3.147 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.345 0 C1'-O4'-C4' 105.081 -3.299 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.316 0 P-O3'-C3' 124.456 3.963 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.334 0 O4'-C4'-C3' 108.883 3.283 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.362 0 P-O3'-C3' 123.531 3.192 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.316 0 P-O3'-C3' 123.12 2.85 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.68 0 O4'-C4'-C3' 108.694 3.094 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.635 0 O4'-C4'-C3' 108.525 2.925 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.323 0 P-O3'-C3' 122.828 2.607 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.654 0 CA-C-O 120.777 0.322 . . . . 20.0 110.531 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -146.09 145.34 30.5 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.374 -0.375 . . . . 20.0 111.079 -175.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -84.85 147.91 26.56 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 121.019 0.438 . . . . 20.0 110.892 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.29 89.06 2.47 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 115.596 -0.729 . . . . 20.0 110.839 -175.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 43.8 tpp -149.7 144.78 26.32 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.644 -0.707 . . . . 20.0 110.258 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -113.18 84.68 2.04 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 121.109 0.481 . . . . 20.0 110.682 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 28.5 m -141.44 152.31 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 115.73 -0.668 . . . . 20.0 110.8 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -73.98 95.22 2.46 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 116.246 -0.434 . . . . 20.0 110.263 175.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -65.28 126.0 26.8 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.145 -0.479 . . . . 20.0 111.037 -174.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -96.88 26.08 4.86 Favored 'General case' 0 CA--C 1.557 1.243 0 CA-C-N 116.136 -0.484 . . . . 20.0 110.846 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 25.6 p30 -86.83 11.19 13.84 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.255 -0.429 . . . . 20.0 111.194 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 483' ' ' HIS . . . . . 0.473 ' HB3' HD21 ' A' ' 509' ' ' LEU . 57.0 p-80 -160.22 176.2 12.02 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 120.866 0.365 . . . . 20.0 111.108 178.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -136.61 158.51 44.27 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.811 -0.631 . . . . 20.0 110.294 169.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -98.57 142.32 30.3 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.91 0.386 . . . . 20.0 110.864 -177.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.2 tp -140.84 111.51 6.94 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.059 -0.519 . . . . 20.0 110.411 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 24.1 mt -81.61 124.61 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 120.884 0.373 . . . . 20.0 110.653 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 44.0 t -138.43 126.61 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 115.859 -0.61 . . . . 20.0 110.235 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 40.2 t0 50.09 40.65 22.12 Favored 'General case' 0 CA--C 1.564 1.484 0 CA-C-O 121.056 0.455 . . . . 20.0 111.2 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.7 -24.24 11.02 Favored Glycine 0 CA--C 1.547 2.081 0 CA-C-N 116.228 -0.442 . . . . 20.0 112.948 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -87.98 140.66 29.27 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 116.908 0.354 . . . . 20.0 111.024 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 59.8 t -83.07 117.81 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 116.378 -0.374 . . . . 20.0 110.064 170.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -95.92 157.17 16.02 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.405 -0.361 . . . . 20.0 110.263 172.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -123.38 125.09 44.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 20.0 110.122 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.1 mt -118.71 128.51 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-O 120.929 0.395 . . . . 20.0 111.152 -170.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 7.1 t -65.84 137.37 57.16 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.098 -0.501 . . . . 20.0 110.888 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 34.0 pt -68.58 -40.04 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 111.681 0.252 . . . . 20.0 111.681 -177.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.82 -64.2 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-O 120.739 0.304 . . . . 20.0 111.796 -175.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.1 p -105.18 -4.94 21.17 Favored 'General case' 0 CA--C 1.557 1.243 0 N-CA-C 112.383 0.512 . . . . 20.0 112.383 -169.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 58.13 40.71 24.83 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 122.643 0.377 . . . . 20.0 111.682 -176.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 63.3 mtt85 -83.86 132.65 34.78 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 116.318 -0.401 . . . . 20.0 110.088 169.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 29.6 p -96.47 146.43 24.8 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 121.035 0.445 . . . . 20.0 111.379 -175.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -138.21 138.41 38.51 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.685 -0.688 . . . . 20.0 110.725 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 79.0 t -76.77 -17.75 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 116.139 -0.482 . . . . 20.0 110.895 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 74.8 m -133.3 135.72 45.03 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.813 0.339 . . . . 20.0 111.032 -178.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 19.9 mt -58.96 -33.7 70.95 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 116.271 -0.422 . . . . 20.0 110.977 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 33.0 p -56.91 -42.1 79.32 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 120.619 0.247 . . . . 20.0 110.973 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 14.5 m -65.57 -39.44 91.66 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.507 -0.315 . . . . 20.0 110.813 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.473 HD21 ' HB3' ' A' ' 483' ' ' HIS . 9.0 tp -63.67 -42.82 98.0 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 116.419 -0.355 . . . . 20.0 110.936 178.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -62.35 -44.31 96.77 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 110.256 -0.276 . . . . 20.0 110.256 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -57.23 -44.27 83.65 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 115.951 -0.568 . . . . 20.0 110.817 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -69.27 -49.39 56.5 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.27 -0.423 . . . . 20.0 111.318 -175.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -61.99 -20.96 64.44 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 116.846 -0.161 . . . . 20.0 111.386 -172.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -21.77 61.67 Favored 'General case' 0 CA--C 1.56 1.333 0 CA-C-O 120.552 0.215 . . . . 20.0 111.177 174.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 30.7 mt -79.15 -20.87 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-O 120.657 0.265 . . . . 20.0 111.024 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -95.04 -37.52 11.08 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.627 0.251 . . . . 20.0 110.939 177.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 88.7 p -83.29 -33.58 25.94 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.451 -0.34 . . . . 20.0 111.458 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 64.7 m95 50.26 40.15 21.65 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 121.261 0.553 . . . . 20.0 110.464 -169.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -64.67 -30.29 71.31 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.805 -0.634 . . . . 20.0 110.907 177.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -136.53 123.56 21.54 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.269 -0.423 . . . . 20.0 110.636 177.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -91.31 145.39 24.69 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.193 -0.458 . . . . 20.0 110.248 171.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -123.97 79.93 57.58 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 116.186 -0.461 . . . . 20.0 110.301 176.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.63 135.75 16.49 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.766 2.311 . . . . 20.0 112.318 -178.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 52.7 t -68.57 148.13 50.96 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.891 -0.595 . . . . 20.0 110.654 176.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -79.56 -38.25 34.55 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 116.396 -0.365 . . . . 20.0 110.861 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -85.77 -20.87 28.59 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 116.373 -0.376 . . . . 20.0 111.867 -170.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 14.6 p -142.58 167.98 20.8 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.848 0.356 . . . . 20.0 110.8 175.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.66 8.57 7.7 Favored 'General case' 0 CA--C 1.564 1.507 0 N-CA-C 112.038 0.384 . . . . 20.0 112.038 -172.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -68.86 137.72 54.13 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 120.684 0.278 . . . . 20.0 111.125 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 13.2 t -115.75 138.07 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 116.162 -0.472 . . . . 20.0 110.695 173.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -111.08 152.49 43.74 Favored Pre-proline 0 CA--C 1.541 0.617 0 CA-C-N 116.004 -0.544 . . . . 20.0 110.629 175.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -86.48 -1.57 8.37 Favored 'Trans proline' 0 CA--C 1.559 1.725 0 C-N-CA 123.015 2.476 . . . . 20.0 112.504 172.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 7.4 mp -131.67 143.18 50.1 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.696 0.399 . . . . 20.0 110.168 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -71.41 -43.66 66.37 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 120.612 0.244 . . . . 20.0 111.165 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -59.48 -35.87 74.94 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 120.628 0.252 . . . . 20.0 110.889 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -64.13 -37.85 88.96 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.543 -0.299 . . . . 20.0 110.888 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 537' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -58.17 -49.5 76.81 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.009 0.433 . . . . 20.0 110.241 174.401 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 538' ' ' THR . . . . . 0.466 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 90.8 m -61.9 -56.86 14.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.816 -0.629 . . . . 20.0 111.06 -175.099 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -59.5 -35.04 73.38 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.705 -0.225 . . . . 20.0 111.119 -177.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -67.79 -46.16 72.75 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-O 120.68 0.276 . . . . 20.0 111.004 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -68.72 -27.38 65.88 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.725 -0.216 . . . . 20.0 111.19 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 21.4 mt -63.96 -32.32 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-O 120.554 0.216 . . . . 20.0 110.523 170.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 543' ' ' HIS . . . . . 0.421 ' HA ' HD11 ' A' ' 560' ' ' ILE . 5.2 t-160 -76.98 -28.61 55.17 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 116.538 -0.301 . . . . 20.0 111.082 177.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -72.27 -42.02 66.04 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 120.677 0.275 . . . . 20.0 110.899 174.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 28.7 p -85.36 -14.15 47.29 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 116.493 -0.322 . . . . 20.0 111.638 -174.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 74.14 14.89 80.19 Favored Glycine 0 CA--C 1.543 1.828 0 C-N-CA 121.407 -0.425 . . . . 20.0 112.518 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.62 115.81 3.01 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 120.888 0.375 . . . . 20.0 111.082 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 60.9 mmt-85 -72.55 144.66 47.85 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 116.241 -0.436 . . . . 20.0 110.416 176.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 58.9 ttt85 -134.83 -60.83 0.77 Allowed 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 116.049 -0.523 . . . . 20.0 111.187 -171.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -89.61 108.38 19.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.366 . . . . 20.0 110.664 -176.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -92.54 120.02 32.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 20.0 110.592 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 41.8 t -65.43 146.56 54.73 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 110.053 -0.351 . . . . 20.0 110.053 172.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 94.5 mt -108.42 -18.95 13.62 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.531 -0.304 . . . . 20.0 111.288 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.14 -50.09 17.43 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.666 -0.243 . . . . 20.0 111.305 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 29.2 p -120.08 0.91 10.83 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 112.032 0.382 . . . . 20.0 112.032 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 80.03 3.58 89.49 Favored Glycine 0 CA--C 1.556 2.646 0 C-N-CA 120.9 -0.667 . . . . 20.0 113.616 171.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -73.81 137.85 44.11 Favored 'General case' 0 N--CA 1.488 1.425 0 CA-C-N 117.553 0.677 . . . . 20.0 110.994 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 4.5 m -100.8 140.99 34.3 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 116.232 -0.44 . . . . 20.0 110.974 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -124.27 153.91 41.01 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 120.96 0.409 . . . . 20.0 111.048 -177.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.421 HD11 ' HA ' ' A' ' 543' ' ' HIS . 8.8 tt -85.8 -29.61 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 116.041 -0.527 . . . . 20.0 111.627 -172.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -147.32 168.94 20.51 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 120.975 0.417 . . . . 20.0 111.012 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 562' ' ' TYR . . . . . 0.4 ' CE1' " H2'" ' E' ' 31' ' ' ' DG' . 44.2 t80 -67.78 -34.74 77.37 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.044 -0.525 . . . . 20.0 111.164 -172.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -63.48 -44.0 95.69 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 116.424 -0.353 . . . . 20.0 110.894 -175.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -67.6 -47.19 70.42 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.407 -0.36 . . . . 20.0 110.679 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 4.6 ttp -55.27 -47.32 75.65 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 120.713 0.292 . . . . 20.0 110.962 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 25.3 t -61.92 -47.82 83.19 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.394 -0.366 . . . . 20.0 110.808 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 29.9 t -58.25 -42.55 86.63 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.464 -0.335 . . . . 20.0 110.994 177.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -62.63 -51.27 67.92 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.332 -0.395 . . . . 20.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.05 -38.17 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-O 120.572 0.225 . . . . 20.0 110.749 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -68.87 -42.62 76.77 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.723 -0.217 . . . . 20.0 111.265 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 50.0 p -81.2 -33.03 33.24 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 111.892 0.33 . . . . 20.0 111.892 -174.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 70.7 t -95.01 -47.17 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 CA-C-O 120.416 0.151 . . . . 20.0 111.397 -172.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -100.11 -5.79 27.33 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 116.662 -0.245 . . . . 20.0 111.411 -174.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 33.8 m 56.89 38.61 29.52 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 120.782 0.325 . . . . 20.0 111.098 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -132.24 157.02 45.43 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.266 -0.425 . . . . 20.0 110.762 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -104.48 113.21 65.28 Favored Pre-proline 0 CA--C 1.551 1.004 0 CA-C-N 116.212 -0.449 . . . . 20.0 110.657 178.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -74.95 -14.85 21.14 Favored 'Trans proline' 0 CA--C 1.551 1.346 0 C-N-CA 122.598 2.199 . . . . 20.0 112.527 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 13.4 t -77.16 -15.19 59.62 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 116.602 -0.272 . . . . 20.0 111.075 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -81.5 -130.19 1.13 Allowed Glycine 0 CA--C 1.54 1.642 0 N-CA-C 112.321 -0.312 . . . . 20.0 112.321 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -120.0 29.84 7.32 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 120.929 0.395 . . . . 20.0 110.949 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 48.5 p -86.54 -44.37 11.99 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 116.383 -0.371 . . . . 20.0 111.109 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 59.22 73.23 0.49 Allowed 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.221 0.534 . . . . 20.0 110.773 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 12.3 mt -109.49 19.63 19.08 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.716 -0.675 . . . . 20.0 111.499 -172.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -147.28 162.93 37.94 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 120.952 0.406 . . . . 20.0 111.264 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -132.08 139.24 48.44 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.951 -0.568 . . . . 20.0 110.469 177.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.28 128.87 36.53 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 116.335 -0.393 . . . . 20.0 110.849 -175.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -112.65 154.09 44.82 Favored Pre-proline 0 N--CA 1.487 1.377 0 CA-C-N 116.552 -0.295 . . . . 20.0 110.985 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -70.77 156.67 60.27 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.672 2.248 . . . . 20.0 112.859 -174.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 41.5 t -98.62 128.33 44.88 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 116.006 -0.543 . . . . 20.0 110.411 172.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -128.36 -16.46 4.41 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 116.353 -0.385 . . . . 20.0 111.662 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 96.3 p -62.33 -27.53 69.12 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 111.578 0.214 . . . . 20.0 111.578 -177.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.8 pp -137.72 163.41 31.38 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 120.889 0.376 . . . . 20.0 110.879 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -86.73 109.72 19.41 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 116.135 -0.484 . . . . 20.0 111.247 -171.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 26.7 pt -143.91 168.13 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 115.917 -0.583 . . . . 20.0 110.278 171.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 595' ' ' ARG . . . . . 0.424 HH22 " H1'" ' E' ' 27' ' ' ' DG' . 21.8 ptt180 -72.45 142.11 48.61 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.972 -0.381 . . . . 20.0 109.972 170.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -127.4 116.84 21.09 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.081 0.467 . . . . 20.0 110.743 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -67.53 158.28 32.34 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.65 -0.705 . . . . 20.0 111.176 -178.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.42 -9.99 56.02 Favored 'General case' 0 CA--C 1.56 1.333 0 CA-C-N 116.349 -0.387 . . . . 20.0 111.879 -176.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -77.19 -21.69 53.55 Favored 'General case' 0 CA--C 1.554 1.123 0 O-C-N 122.304 -0.248 . . . . 20.0 110.856 174.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.27 -31.07 48.88 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.846 -0.427 . . . . 20.0 109.846 169.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 66.3 m -72.86 6.23 2.71 Favored 'General case' 0 CA--C 1.562 1.429 0 CA-C-N 115.93 -0.577 . . . . 20.0 111.74 -177.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -51.76 138.82 22.8 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-O 120.999 0.428 . . . . 20.0 111.184 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -68.51 147.35 52.12 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 116.091 -0.504 . . . . 20.0 110.996 -177.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 N--CA 1.476 0.831 0 CA-C-N 116.145 -0.48 . . . . 20.0 110.881 178.237 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.097 0 O5'-C5'-C4' 114.16 2.829 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.717 0 O4'-C4'-C3' 108.566 2.966 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.494 0 O5'-C5'-C4' 114.121 2.801 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.503 0 O5'-C5'-C4' 115.123 3.516 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.011 0 P-O3'-C3' 123.466 3.138 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.91 0 O5'-C5'-C4' 114.708 3.22 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.378 0 O5'-C5'-C4' 115.625 3.875 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.589 0 O4'-C4'-C3' 109.084 3.484 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.417 0 C3'-C2'-C1' 98.17 -3.235 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.079 0 C5'-C4'-C3' 110.984 -2.477 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.67 0 P-O3'-C3' 123.894 3.495 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.582 0 P-O3'-C3' 122.768 2.557 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.549 0 O5'-C5'-C4' 114.972 3.408 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.647 0 P-O3'-C3' 123.2 2.917 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.685 0 O4'-C4'-C3' 108.647 3.047 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.808 0 O4'-C4'-C3' 109.122 3.522 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.095 1 O5'-C5'-C4' 115.902 4.073 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.721 0 C5'-C4'-C3' 110.418 -2.855 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.348 0 C1'-O4'-C4' 106.068 -2.594 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.601 0 C1'-O4'-C4' 106.024 -2.626 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.6 0 O5'-C5'-C4' 113.9 2.643 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.245 0 P-O3'-C3' 123.047 2.789 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.627 0 P-O3'-C3' 123.337 3.031 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.611 0 O4'-C4'-C3' 108.821 3.221 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.499 0 P-O3'-C3' 123.992 3.576 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.429 0 O5'-C5'-C4' 115.621 3.872 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 27' ' ' ' DG' . . . . . 0.424 " H1'" HH22 ' A' ' 595' ' ' ARG . . . . . . . . 0 C5'--C4' 1.54 3.61 2 C3'-C2'-C1' 95.658 -5.03 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.412 -1.434 0 O3'-P-O5' 98.588 -2.849 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.751 0 C3'-C2'-C1' 105.552 2.037 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.564 0 O5'-C5'-C4' 115.653 3.895 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 31' ' ' ' DG' . . . . . 0.4 " H2'" ' CE1' ' A' ' 562' ' ' TYR . . . . . . . . 1 P--O5' 1.634 4.099 0 O5'-C5'-C4' 115.522 3.801 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.743 0 O5'-C5'-C4' 115.023 3.445 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.775 0 O5'-C5'-C4' 114.999 3.428 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.291 0 P-O3'-C3' 123.041 2.784 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.433 0 P-O3'-C3' 123.168 2.89 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.653 0 O4'-C4'-C3' 108.698 3.098 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.665 0 O4'-C4'-C3' 108.555 2.955 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.345 0 P-O3'-C3' 122.87 2.641 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.887 0 CA-C-O 120.92 0.391 . . . . 20.0 110.965 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -71.73 146.63 48.03 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 116.208 -0.451 . . . . 20.0 110.783 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -152.74 158.25 42.03 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 116.223 -0.444 . . . . 20.0 110.829 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -142.6 131.15 22.48 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.094 -0.503 . . . . 20.0 110.757 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.84 79.93 0.48 Allowed 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 116.098 -0.501 . . . . 20.0 110.377 171.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.59 131.93 46.57 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 116.542 -0.299 . . . . 20.0 110.396 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 3.6 p -148.04 146.4 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-N 116.254 -0.43 . . . . 20.0 111.029 -171.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -89.82 162.14 15.65 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 116.238 -0.437 . . . . 20.0 110.935 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -119.91 172.02 8.02 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 116.271 -0.422 . . . . 20.0 111.001 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -81.2 43.75 0.73 Allowed 'General case' 0 CA--C 1.561 1.387 0 CA-C-N 116.214 -0.448 . . . . 20.0 111.396 -176.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -88.72 8.28 29.53 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 116.128 -0.487 . . . . 20.0 110.871 175.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 483' ' ' HIS . . . . . 0.474 ' HB3' HD21 ' A' ' 509' ' ' LEU . 56.7 p-80 -160.7 177.59 10.31 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.287 -0.415 . . . . 20.0 110.534 178.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -136.5 158.02 45.41 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.031 -0.531 . . . . 20.0 110.012 169.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -103.52 140.2 37.83 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.923 0.392 . . . . 20.0 110.954 -176.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.3 tp -138.09 115.23 10.95 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.895 -0.593 . . . . 20.0 110.308 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 30.3 mt -85.79 123.06 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-O 120.995 0.426 . . . . 20.0 110.526 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 45.5 t -137.27 129.29 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 115.765 -0.652 . . . . 20.0 110.068 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.92 34.91 17.81 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-O 121.056 0.455 . . . . 20.0 111.344 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.33 3.19 88.48 Favored Glycine 0 CA--C 1.55 2.238 0 CA-C-N 116.307 -0.406 . . . . 20.0 112.881 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -109.59 135.77 50.03 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.519 0.328 . . . . 20.0 110.591 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 97.8 t -80.03 119.22 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-O 120.727 0.299 . . . . 20.0 110.313 174.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -102.57 153.65 19.89 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.287 -0.415 . . . . 20.0 110.213 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -118.68 127.1 53.25 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.118 -0.492 . . . . 20.0 109.968 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 5.3 mt -121.08 128.83 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 120.803 0.335 . . . . 20.0 111.019 -170.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 8.4 t -65.7 137.09 57.07 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.206 -0.452 . . . . 20.0 110.585 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 22.1 pt -68.62 -39.77 80.87 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 CA-C-N 116.676 -0.238 . . . . 20.0 111.559 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 47.7 t -60.92 -63.95 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 111.935 0.346 . . . . 20.0 111.935 -176.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.5 p -105.11 -5.28 20.96 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 112.457 0.539 . . . . 20.0 112.457 -169.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 58.06 35.89 25.56 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 122.572 0.349 . . . . 20.0 111.883 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -76.67 132.78 39.56 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 109.874 -0.417 . . . . 20.0 109.874 169.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 24.6 p -95.28 143.16 26.9 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.034 0.445 . . . . 20.0 111.26 -175.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -135.4 138.69 43.53 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.647 -0.706 . . . . 20.0 110.964 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 53.5 t -77.71 -18.33 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 115.989 -0.551 . . . . 20.0 110.866 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 84.3 m -127.45 161.0 29.75 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 120.976 0.417 . . . . 20.0 110.804 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 20.3 mt -82.42 -34.96 28.05 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.229 -0.441 . . . . 20.0 110.499 172.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 24.4 p -55.01 -45.18 75.08 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 116.551 -0.295 . . . . 20.0 111.241 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 4.9 p -66.6 -35.73 80.89 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 116.54 -0.3 . . . . 20.0 111.078 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.474 HD21 ' HB3' ' A' ' 483' ' ' HIS . 5.0 tp -64.68 -45.66 85.74 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 116.627 -0.261 . . . . 20.0 110.977 177.144 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -60.44 -49.04 79.15 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 120.627 0.251 . . . . 20.0 110.369 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -50.58 -47.08 58.07 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 116.038 -0.528 . . . . 20.0 110.628 173.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -68.26 -44.17 76.2 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.211 -0.45 . . . . 20.0 111.413 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -58.84 -26.53 64.27 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-O 120.545 0.212 . . . . 20.0 111.266 -173.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -23.94 63.36 Favored 'General case' 0 CA--C 1.561 1.376 0 CA-C-N 116.705 -0.225 . . . . 20.0 111.306 176.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 39.3 mt -75.42 -21.21 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 C-N-CA 122.414 0.286 . . . . 20.0 111.035 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -93.74 -41.87 9.45 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.684 0.278 . . . . 20.0 110.929 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 89.7 p -75.86 -36.29 59.63 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.519 -0.309 . . . . 20.0 111.297 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 58.5 m95 50.21 30.84 4.61 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-O 121.168 0.509 . . . . 20.0 110.37 -169.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -67.18 -31.3 71.61 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.874 -0.603 . . . . 20.0 110.715 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -131.35 121.31 24.45 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.202 -0.454 . . . . 20.0 110.512 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -94.24 149.28 21.38 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.138 -0.483 . . . . 20.0 110.812 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -121.01 80.0 34.02 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 116.034 -0.53 . . . . 20.0 110.326 173.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.32 142.59 30.36 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.745 2.296 . . . . 20.0 112.404 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 33.6 t -74.63 141.36 44.66 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.932 -0.576 . . . . 20.0 110.753 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -75.54 -38.16 59.51 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 116.446 -0.343 . . . . 20.0 110.735 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -85.23 -22.12 28.8 Favored 'General case' 0 CA--C 1.56 1.351 0 CA-C-N 115.904 -0.589 . . . . 20.0 111.959 -169.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 9.4 p -145.02 169.83 17.33 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 120.841 0.353 . . . . 20.0 110.895 175.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.75 6.65 10.32 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 112.166 0.432 . . . . 20.0 112.166 -170.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -68.94 151.56 46.39 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 120.816 0.341 . . . . 20.0 111.038 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 17.2 t -129.94 140.14 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 CA-C-N 116.137 -0.483 . . . . 20.0 110.829 175.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -114.74 150.85 44.71 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 116.041 -0.527 . . . . 20.0 110.837 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -85.1 -4.27 9.61 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 C-N-CA 122.952 2.435 . . . . 20.0 112.799 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.4 mp -132.52 144.09 50.19 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.566 0.347 . . . . 20.0 110.39 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.44 91.14 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 116.341 -0.39 . . . . 20.0 111.09 175.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -63.48 -48.53 77.29 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 120.777 0.322 . . . . 20.0 110.916 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -61.73 -34.7 76.27 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.243 -0.435 . . . . 20.0 110.501 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 537' ' ' ARG . . . . . 0.471 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -57.93 -63.02 1.4 Allowed 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.287 -0.415 . . . . 20.0 110.063 169.769 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 538' ' ' THR . . . . . 0.471 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 63.6 m -50.24 -50.33 50.25 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.045 -0.525 . . . . 20.0 111.123 -174.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -62.47 -36.75 83.45 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.566 -0.288 . . . . 20.0 111.075 -177.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -70.56 -41.1 72.88 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 120.554 0.216 . . . . 20.0 111.122 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.97 -41.38 87.4 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 120.722 0.296 . . . . 20.0 110.413 175.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 61.3 mt -62.94 -31.51 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 116.471 -0.331 . . . . 20.0 110.84 176.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 543' ' ' HIS . . . . . 0.537 ' HA ' HD11 ' A' ' 560' ' ' ILE . 4.3 t-80 -68.8 -26.41 65.18 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.636 -0.256 . . . . 20.0 110.665 177.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -82.13 -38.35 24.88 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 116.844 -0.162 . . . . 20.0 111.185 176.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 62.6 p -74.48 -36.22 63.27 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 120.672 0.273 . . . . 20.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 85.77 16.1 64.25 Favored Glycine 0 CA--C 1.541 1.692 0 C-N-CA 121.567 -0.349 . . . . 20.0 112.593 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.4 120.7 8.66 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 120.866 0.365 . . . . 20.0 111.449 -175.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -82.34 79.98 8.66 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.032 0.444 . . . . 20.0 110.432 174.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -86.73 -28.46 23.05 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 115.975 -0.557 . . . . 20.0 111.535 -174.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -99.01 110.14 22.79 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.156 0.182 . . . . 20.0 110.732 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -107.27 130.41 54.76 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.885 0.374 . . . . 20.0 110.968 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 49.2 t -69.62 147.79 50.21 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.033 -0.53 . . . . 20.0 110.136 170.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 80.9 mt -104.89 -17.01 14.7 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 116.734 -0.212 . . . . 20.0 111.436 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.23 -49.69 18.56 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 116.74 -0.209 . . . . 20.0 111.066 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 32.0 p -120.04 -2.36 10.25 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 111.952 0.353 . . . . 20.0 111.952 -176.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 81.25 -4.3 72.72 Favored Glycine 0 CA--C 1.555 2.581 0 C-N-CA 121.165 -0.541 . . . . 20.0 113.388 173.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -71.38 140.1 50.03 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 117.316 0.558 . . . . 20.0 110.833 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 50.4 m -111.91 154.6 24.96 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 121.009 0.433 . . . . 20.0 111.617 -175.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -135.67 166.46 23.2 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.717 -0.674 . . . . 20.0 110.717 -176.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' ' 543' ' ' HIS . 12.5 tt -88.54 -23.19 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 CA-C-N 116.154 -0.475 . . . . 20.0 111.867 -171.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -151.31 170.18 20.14 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-O 121.022 0.439 . . . . 20.0 111.288 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -66.79 -34.31 77.55 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.896 -0.593 . . . . 20.0 111.353 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 28.7 mp0 -64.25 -48.64 75.02 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 116.678 -0.237 . . . . 20.0 110.95 -175.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -64.17 -42.77 96.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.632 -0.258 . . . . 20.0 110.729 176.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 37.8 ttp -58.79 -50.78 72.69 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.447 -0.342 . . . . 20.0 111.053 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 24.8 t -61.46 -43.79 98.25 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.609 0.242 . . . . 20.0 110.789 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 22.7 t -58.76 -42.51 89.07 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.45 -0.341 . . . . 20.0 110.906 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -63.56 -47.55 81.1 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 116.499 -0.319 . . . . 20.0 111.144 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.06 -41.38 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-O 120.635 0.255 . . . . 20.0 110.504 -178.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -65.66 -44.99 84.65 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.564 -0.289 . . . . 20.0 110.914 178.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 41.6 m -74.65 -37.17 62.81 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 111.834 0.309 . . . . 20.0 111.834 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 76.9 t -97.0 -46.85 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 CA-C-O 120.548 0.213 . . . . 20.0 111.497 -171.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -100.08 -0.76 38.41 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 116.558 -0.292 . . . . 20.0 111.509 -174.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 39.7 m 55.85 34.79 24.19 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 122.762 0.425 . . . . 20.0 111.396 176.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -133.75 158.73 42.57 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.939 0.399 . . . . 20.0 110.929 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -111.62 116.44 50.32 Favored Pre-proline 0 CA--C 1.549 0.924 0 CA-C-N 116.062 -0.517 . . . . 20.0 110.416 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.83 -20.38 45.71 Favored 'Trans proline' 0 CA--C 1.546 1.121 0 C-N-CA 122.383 2.056 . . . . 20.0 112.578 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 31.2 t -78.82 -18.07 54.65 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 116.512 -0.313 . . . . 20.0 111.078 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -86.15 -154.5 24.45 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 121.487 -0.387 . . . . 20.0 112.149 177.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -87.88 85.71 7.05 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 120.992 0.425 . . . . 20.0 110.211 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 58.2 m -160.27 -60.06 0.06 Allowed 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 116.11 -0.495 . . . . 20.0 110.72 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm 53.61 89.82 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 121.292 0.568 . . . . 20.0 111.129 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 1.1 mt -116.35 30.05 7.58 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 115.573 -0.74 . . . . 20.0 111.223 -175.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -147.04 162.47 38.73 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 120.994 0.426 . . . . 20.0 111.36 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -136.32 139.3 42.5 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.781 -0.645 . . . . 20.0 110.336 173.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -99.04 120.29 39.21 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.25 -0.432 . . . . 20.0 110.376 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -94.52 157.6 36.93 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-N 116.266 -0.425 . . . . 20.0 110.847 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.3 143.09 99.85 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.642 2.228 . . . . 20.0 112.428 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 47.0 t -87.42 120.4 28.67 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.175 -0.466 . . . . 20.0 110.402 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -129.82 -13.56 4.14 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 116.362 -0.381 . . . . 20.0 111.981 -173.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 57.1 p -69.49 -22.98 63.57 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 111.568 0.21 . . . . 20.0 111.568 -176.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.5 pp -144.69 172.21 13.31 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-O 120.928 0.394 . . . . 20.0 111.021 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -89.43 107.26 18.97 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 116.143 -0.48 . . . . 20.0 111.621 -170.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 29.6 pt -146.31 169.67 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 CA-C-N 115.801 -0.636 . . . . 20.0 109.753 169.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -75.38 143.53 42.75 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 110.072 -0.344 . . . . 20.0 110.072 173.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -125.71 115.58 20.31 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.013 0.435 . . . . 20.0 110.622 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -59.25 151.55 22.9 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.668 -0.696 . . . . 20.0 110.985 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.7 -10.08 42.96 Favored 'General case' 0 CA--C 1.558 1.26 0 N-CA-C 112.029 0.381 . . . . 20.0 112.029 -175.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -80.12 -15.0 58.05 Favored 'General case' 0 CA--C 1.557 1.238 0 O-C-N 122.365 -0.21 . . . . 20.0 111.083 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.15 -32.52 26.6 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-O 120.909 0.385 . . . . 20.0 110.2 169.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 5.1 t -79.46 2.34 22.27 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-N 116.041 -0.527 . . . . 20.0 111.623 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -64.05 164.49 10.53 Favored 'General case' 0 CA--C 1.559 1.303 0 CA-C-O 121.135 0.493 . . . . 20.0 111.315 -176.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -66.17 161.97 20.83 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 115.941 -0.572 . . . . 20.0 111.364 -177.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 36.8 m . . . . . 0 N--CA 1.484 1.228 0 CA-C-N 115.941 -0.572 . . . . 20.0 111.07 178.057 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.098 0 O5'-C5'-C4' 114.209 2.864 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.662 0 O4'-C4'-C3' 108.609 3.009 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.68 0 O5'-C5'-C4' 114.1 2.785 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.611 0 O5'-C5'-C4' 115.198 3.57 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.324 0 O5'-C5'-C4' 115.024 3.446 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.502 0 P-O3'-C3' 124.006 3.589 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.081 0 O5'-C5'-C4' 115.197 3.569 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.503 0 P-O3'-C3' 123.848 3.457 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.638 4.536 0 C3'-C2'-C1' 97.499 -3.715 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.264 0 O5'-C5'-C4' 114.69 3.207 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.578 0 P-O3'-C3' 123.229 2.941 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.367 0 P-O3'-C3' 122.794 2.579 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.257 0 O5'-C5'-C4' 114.46 3.043 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.401 1 P-O3'-C3' 124.956 4.38 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.557 0 O5'-C5'-C4' 114.15 2.821 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.663 0 O5'-C5'-C4' 114.006 2.718 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.377 0 O4'-C4'-C3' 108.585 2.985 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.761 0 O4'-C4'-C3' 108.333 2.733 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.043 0 P-O3'-C3' 123.348 3.04 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.51 0 C1'-O4'-C4' 105.72 -2.843 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.899 0 O4'-C4'-C3' 108.251 2.651 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.312 0 O4'-C4'-C3' 108.107 2.507 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.627 0 P-O3'-C3' 123.062 2.802 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.09 0 O4'-C4'-C3' 108.245 2.645 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.118 0 O4'-C4'-C3' 108.666 3.066 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.655 0 P-O3'-C3' 123.59 3.242 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.332 2 C3'-C2'-C1' 95.374 -5.233 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.952 0 O3'-P-O5' 99.025 -2.618 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.19 0 O4'-C4'-C3' 108.413 2.813 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.586 0 O4'-C4'-C3' 108.345 2.745 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.063 0 C1'-O4'-C4' 105.224 -3.197 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.765 0 P-O3'-C3' 124.144 3.703 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.474 0 O5'-C5'-C4' 114.914 3.367 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.348 0 P-O3'-C3' 123.305 3.004 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.469 0 P-O3'-C3' 123.274 2.978 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.748 0 O4'-C4'-C3' 108.673 3.073 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.77 0 O4'-C4'-C3' 108.584 2.984 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.281 0 P-O3'-C3' 122.991 2.742 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.784 0 CA-C-O 120.861 0.363 . . . . 20.0 110.788 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -132.22 147.96 52.44 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 116.183 -0.462 . . . . 20.0 110.665 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -82.2 156.94 24.16 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 116.168 -0.469 . . . . 20.0 110.639 176.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -151.75 143.54 23.7 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 116.27 -0.423 . . . . 20.0 110.69 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 93.5 mmm -141.5 79.88 1.7 Allowed 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 116.112 -0.495 . . . . 20.0 110.974 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.1 56.58 1.82 Allowed 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 121.051 0.453 . . . . 20.0 110.843 176.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.38 157.21 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 CA-C-N 115.045 -0.98 . . . . 20.0 110.659 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -80.05 160.66 25.74 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-N 115.057 -0.974 . . . . 20.0 110.531 175.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -132.23 147.65 52.42 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.879 -0.6 . . . . 20.0 110.696 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -97.15 23.49 7.31 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 115.998 -0.546 . . . . 20.0 111.037 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 47.7 p-10 -82.81 6.24 18.92 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 116.409 -0.36 . . . . 20.0 111.145 177.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 483' ' ' HIS . . . . . 0.489 ' HB3' HD21 ' A' ' 509' ' ' LEU . 51.8 p-80 -160.98 176.9 10.9 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.999 0.428 . . . . 20.0 111.276 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -134.49 153.82 51.74 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.502 -0.772 . . . . 20.0 109.659 169.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -102.52 130.74 49.44 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.072 0.463 . . . . 20.0 110.909 -173.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 12.7 tp -131.16 117.28 18.83 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.695 -0.684 . . . . 20.0 110.362 -175.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 21.1 mt -86.96 122.68 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 120.924 0.392 . . . . 20.0 110.514 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 45.9 t -134.57 125.38 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 115.93 -0.577 . . . . 20.0 110.201 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 37.6 t0 50.55 40.12 22.77 Favored 'General case' 0 CA--C 1.564 1.495 0 CA-C-O 121.041 0.448 . . . . 20.0 111.08 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 86.96 -21.51 19.38 Favored Glycine 0 CA--C 1.549 2.213 0 CA-C-N 116.188 -0.46 . . . . 20.0 112.938 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 56.0 mtt85 -88.96 136.44 33.01 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.895 0.347 . . . . 20.0 111.032 -177.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 95.9 t -80.06 122.64 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 116.474 -0.33 . . . . 20.0 110.17 171.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -105.36 153.03 22.21 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.266 -0.425 . . . . 20.0 110.275 173.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -117.97 118.89 33.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 20.0 110.064 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.7 mt -112.08 124.35 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 116.453 -0.34 . . . . 20.0 110.837 -171.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.4 t -63.48 137.87 58.3 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.268 -0.424 . . . . 20.0 110.566 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 31.0 pt -69.81 -39.21 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 116.636 -0.256 . . . . 20.0 111.613 -176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.03 -64.68 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 111.775 0.287 . . . . 20.0 111.775 -176.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 26.7 p -105.07 -4.77 21.54 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 112.383 0.512 . . . . 20.0 112.383 -169.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt 57.89 41.3 24.88 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 122.556 0.343 . . . . 20.0 111.785 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -82.3 131.61 35.23 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 116.354 -0.385 . . . . 20.0 110.003 169.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 39.6 p -93.74 131.75 38.79 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.501 -0.318 . . . . 20.0 111.111 -176.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -123.13 140.59 52.86 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.024 -0.534 . . . . 20.0 111.001 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 74.2 t -79.01 -19.53 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-N 116.068 -0.514 . . . . 20.0 110.946 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 71.3 m -132.75 136.82 46.59 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.731 0.3 . . . . 20.0 111.0 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 18.1 mt -59.02 -36.33 74.78 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.294 -0.412 . . . . 20.0 110.729 176.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 18.2 p -51.49 -41.9 61.27 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 120.584 0.23 . . . . 20.0 111.016 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 17.1 m -67.47 -41.81 83.99 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.488 -0.323 . . . . 20.0 110.973 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 483' ' ' HIS . 5.7 tp -61.58 -50.02 74.29 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.484 -0.325 . . . . 20.0 111.014 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -62.73 -45.47 92.59 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 120.752 0.31 . . . . 20.0 110.536 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 511' ' ' ARG . . . . . 0.442 HH12 ' N4 ' ' E' ' 29' ' ' ' DC' . 40.9 ttp180 -58.95 -40.93 86.19 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.865 175.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -69.24 -44.69 71.48 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 116.255 -0.429 . . . . 20.0 111.283 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.36 -23.6 64.41 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 111.44 0.163 . . . . 20.0 111.44 -173.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -22.06 61.58 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-O 120.499 0.19 . . . . 20.0 111.107 175.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 36.6 mt -77.98 -21.1 13.63 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 C-N-CA 122.411 0.284 . . . . 20.0 111.037 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -95.07 -41.49 9.1 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.657 0.265 . . . . 20.0 110.904 177.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 91.6 p -81.84 -33.29 30.75 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.406 -0.361 . . . . 20.0 111.389 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 52.7 m95 51.13 37.96 19.59 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 121.255 0.55 . . . . 20.0 110.666 -170.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -64.41 -32.2 73.73 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.846 -0.616 . . . . 20.0 111.031 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -131.84 122.39 25.65 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.37 -0.377 . . . . 20.0 110.492 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -92.78 144.27 25.46 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.227 -0.442 . . . . 20.0 110.584 175.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 522' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 534' ' ' ALA . 90.2 m-85 -122.42 80.53 46.11 Favored Pre-proline 0 CA--C 1.545 0.755 0 CA-C-N 116.229 -0.441 . . . . 20.0 110.412 176.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.79 143.98 27.23 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.772 2.315 . . . . 20.0 112.588 -176.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 51.0 t -79.63 143.4 34.72 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.953 -0.567 . . . . 20.0 110.65 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -77.64 -37.23 50.48 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-O 120.849 0.357 . . . . 20.0 110.839 176.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -83.16 -24.06 32.67 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 115.893 -0.594 . . . . 20.0 111.795 -169.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.1 p -145.02 172.91 12.39 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-O 120.824 0.345 . . . . 20.0 110.767 175.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -82.87 9.99 8.75 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 112.22 0.452 . . . . 20.0 112.22 -169.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -70.31 149.9 46.9 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 120.87 0.366 . . . . 20.0 111.328 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 16.1 t -128.62 134.79 63.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 115.7 -0.682 . . . . 20.0 110.298 169.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -113.52 153.07 45.83 Favored Pre-proline 0 CA--C 1.543 0.711 0 CA-C-N 116.233 -0.439 . . . . 20.0 110.686 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -83.4 -5.07 11.0 Favored 'Trans proline' 0 CA--C 1.552 1.387 0 C-N-CA 122.934 2.423 . . . . 20.0 112.926 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.5 mp -131.51 142.56 49.98 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.549 0.34 . . . . 20.0 110.289 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 534' ' ' ALA . . . . . 0.414 ' HB2' ' CE1' ' A' ' 522' ' ' TYR . . . -64.76 -43.54 92.99 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.623 0.249 . . . . 20.0 111.037 178.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -62.78 -38.21 89.72 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.548 -0.296 . . . . 20.0 110.92 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -61.74 -39.41 91.5 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.799 -0.182 . . . . 20.0 110.777 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -62.03 -52.09 65.35 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.586 -0.279 . . . . 20.0 110.439 173.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 37.3 m -55.63 -52.09 64.99 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.603 -0.271 . . . . 20.0 111.248 -177.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -61.74 -39.04 90.18 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-O 120.451 0.167 . . . . 20.0 111.107 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -62.88 -44.99 94.64 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 120.768 0.318 . . . . 20.0 110.698 176.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -68.21 -26.3 65.64 Favored 'General case' 0 CA--C 1.554 1.13 0 O-C-N 122.293 -0.255 . . . . 20.0 111.007 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 3.6 mt -64.97 -30.56 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-O 120.543 0.211 . . . . 20.0 110.655 171.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -71.63 -28.08 63.54 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 116.717 -0.22 . . . . 20.0 110.864 174.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -77.0 -41.82 41.24 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-O 120.5 0.191 . . . . 20.0 110.982 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 58.4 p -79.06 -19.78 50.48 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 116.805 -0.179 . . . . 20.0 111.345 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 78.56 17.15 78.16 Favored Glycine 0 CA--C 1.544 1.893 0 C-N-CA 121.506 -0.378 . . . . 20.0 112.664 177.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -60.37 109.43 1.0 Allowed 'General case' 0 CA--C 1.553 1.091 0 CA-C-O 120.902 0.382 . . . . 20.0 111.133 -176.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -91.86 90.51 7.5 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.074 0.464 . . . . 20.0 110.234 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 11.6 mtp85 -83.91 -31.87 25.44 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 115.561 -0.745 . . . . 20.0 111.888 -169.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -91.79 98.97 11.94 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.515 -0.311 . . . . 20.0 110.858 -169.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -90.21 123.23 33.85 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 120.872 0.368 . . . . 20.0 110.948 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 34.0 t -79.42 100.07 7.48 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.157 -0.474 . . . . 20.0 110.585 176.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.64 -14.82 34.29 Favored 'General case' 0 CA--C 1.558 1.272 0 N-CA-C 111.995 0.369 . . . . 20.0 111.995 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.04 -50.06 17.73 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-O 120.438 0.161 . . . . 20.0 111.297 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 28.7 p -120.08 -5.24 10.02 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 111.87 0.322 . . . . 20.0 111.87 -175.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 91.69 -6.85 79.96 Favored Glycine 0 CA--C 1.551 2.336 0 C-N-CA 121.543 -0.361 . . . . 20.0 113.339 174.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -76.32 134.69 39.66 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 117.303 0.551 . . . . 20.0 111.032 -175.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 61.6 m -105.51 148.62 27.02 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 116.478 -0.328 . . . . 20.0 110.994 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -128.61 158.58 38.1 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.323 -0.399 . . . . 20.0 111.109 -177.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.9 tt -77.07 -24.87 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 CA-C-N 116.195 -0.457 . . . . 20.0 111.696 -173.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 48.4 p30 -152.1 169.97 21.09 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 121.027 0.442 . . . . 20.0 111.114 -175.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -64.67 -36.87 85.68 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.871 -0.604 . . . . 20.0 111.165 -177.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -59.66 -47.04 87.2 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.545 -0.298 . . . . 20.0 111.123 -174.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -67.44 -45.21 76.69 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.652 -0.249 . . . . 20.0 110.806 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 14.5 ttp -57.32 -48.43 78.97 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 120.759 0.314 . . . . 20.0 111.008 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 35.0 t -63.9 -48.44 76.61 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.409 -0.36 . . . . 20.0 110.981 -177.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 25.9 t -57.29 -41.53 79.97 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.508 -0.315 . . . . 20.0 110.813 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -64.79 -49.19 71.67 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.364 -0.38 . . . . 20.0 111.304 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 83.3 mt -63.23 -39.99 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-O 120.609 0.242 . . . . 20.0 110.653 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -68.19 -40.22 82.27 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.649 -0.25 . . . . 20.0 111.198 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 36.6 m -82.18 -34.85 28.85 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 111.75 0.278 . . . . 20.0 111.75 -173.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 74.5 t -97.98 -45.23 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 CA-C-N 116.817 -0.174 . . . . 20.0 111.377 -171.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -100.15 -5.23 28.1 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-N 116.707 -0.224 . . . . 20.0 111.257 -175.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 39.3 m 56.03 36.5 27.49 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.693 0.397 . . . . 20.0 111.367 176.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -128.69 159.79 34.52 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.973 0.416 . . . . 20.0 111.01 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -95.45 118.6 66.18 Favored Pre-proline 0 CA--C 1.552 1.046 0 CA-C-N 115.999 -0.546 . . . . 20.0 110.325 175.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -66.86 -23.92 47.09 Favored 'Trans proline' 0 CA--C 1.548 1.207 0 C-N-CA 122.465 2.11 . . . . 20.0 112.361 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 7.8 t -88.44 4.89 44.83 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 116.403 -0.362 . . . . 20.0 110.987 174.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -75.76 -153.47 4.32 Favored Glycine 0 CA--C 1.539 1.59 0 N-CA-C 112.115 -0.394 . . . . 20.0 112.115 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -110.3 29.52 7.61 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-O 120.67 0.271 . . . . 20.0 111.328 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 70.0 m -102.51 -39.68 7.01 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 116.687 -0.233 . . . . 20.0 111.04 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt 59.65 73.55 0.48 Allowed 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 121.188 0.518 . . . . 20.0 110.605 -175.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 3.3 mt -99.2 14.35 29.76 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.663 -0.699 . . . . 20.0 111.617 -170.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -141.56 153.22 44.7 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.037 0.446 . . . . 20.0 111.264 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -126.15 128.4 47.23 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.726 -0.67 . . . . 20.0 110.044 173.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -101.43 109.49 21.33 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.909 0.385 . . . . 20.0 110.643 -177.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -88.07 151.84 49.85 Favored Pre-proline 0 CA--C 1.553 1.06 0 CA-C-N 116.02 -0.536 . . . . 20.0 110.812 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -61.3 162.28 20.71 Favored 'Trans proline' 0 CA--C 1.547 1.143 0 C-N-CA 122.579 2.186 . . . . 20.0 112.38 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 35.5 t -92.63 127.74 38.23 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.206 -0.452 . . . . 20.0 110.332 173.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -121.25 -18.27 7.43 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 116.591 -0.277 . . . . 20.0 111.575 -175.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 20.7 p -70.45 -19.99 62.92 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 116.667 -0.242 . . . . 20.0 111.587 -177.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.1 pp -142.12 162.5 35.32 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 120.749 0.309 . . . . 20.0 110.811 176.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -82.68 119.49 24.36 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 121.021 0.438 . . . . 20.0 111.523 -170.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 22.3 pt -143.35 168.61 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 CA-C-N 115.743 -0.662 . . . . 20.0 110.222 173.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 595' ' ' ARG . . . . . 0.43 HH22 " H1'" ' E' ' 27' ' ' ' DG' . 21.6 ptt180 -69.93 137.25 51.39 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 109.98 -0.378 . . . . 20.0 109.98 170.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -110.63 93.43 4.48 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.593 -172.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -57.95 146.55 31.97 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.957 -0.565 . . . . 20.0 110.857 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.71 -14.88 63.07 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 116.276 -0.42 . . . . 20.0 111.935 -175.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -80.06 -22.36 42.39 Favored 'General case' 0 CA--C 1.552 1.057 0 O-C-N 122.492 -0.13 . . . . 20.0 111.053 177.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.9 -35.6 20.43 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 120.832 0.349 . . . . 20.0 110.324 169.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.83 1.41 20.44 Favored 'General case' 0 CA--C 1.559 1.291 0 CA-C-N 116.043 -0.526 . . . . 20.0 111.493 -176.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -63.55 164.44 9.5 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-O 120.971 0.415 . . . . 20.0 111.156 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -116.16 125.58 52.5 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 116.119 -0.491 . . . . 20.0 110.713 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 11.0 m . . . . . 0 N--CA 1.482 1.138 0 CA-C-N 116.238 -0.437 . . . . 20.0 110.61 178.506 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.177 0 O5'-C5'-C4' 114.473 3.052 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.643 0 C5'-C4'-C3' 110.269 -2.954 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.525 0 O5'-C5'-C4' 114.109 2.792 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.488 0 O5'-C5'-C4' 115.202 3.573 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.295 0 C1'-O4'-C4' 105.399 -3.072 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.453 0 O4'-C4'-C3' 108.633 3.033 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.543 0 O5'-C5'-C4' 114.738 3.241 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 0 P-O3'-C3' 123.628 3.273 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.111 2 C3'-C2'-C1' 96.243 -4.612 . . . . 20.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.139 0 O3'-P-O5' 98.461 -2.915 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.345 0 P-O3'-C3' 123.59 3.242 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.074 0 P-O3'-C3' 122.932 2.693 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.359 0 P-O3'-C3' 123.233 2.944 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.506 0 P-O3'-C3' 124.191 3.742 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.576 0 O5'-C5'-C4' 114.236 2.883 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.461 0 O4'-C4'-C3' 108.402 2.802 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.355 0 O5'-C5'-C4' 114.925 3.375 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.178 0 O4'-C4'-C3' 108.888 3.288 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.273 0 C1'-O4'-C4' 105.876 -2.731 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.583 0 C1'-O4'-C4' 105.937 -2.688 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.637 0 O5'-C5'-C4' 114.076 2.769 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.366 0 P-O3'-C3' 122.937 2.698 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.571 0 P-O3'-C3' 123.249 2.958 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.515 0 O5'-C5'-C4' 114.425 3.018 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.799 0 P-O3'-C3' 124.181 3.734 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.806 0 O4'-C4'-C3' 108.38 2.78 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 27' ' ' ' DG' . . . . . 0.43 " H1'" HH22 ' A' ' 595' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 3.018 2 C3'-C2'-C1' 94.709 -5.708 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.704 0 O3'-P-O5' 98.728 -2.775 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 29' ' ' ' DC' . . . . . 0.442 ' N4 ' HH12 ' A' ' 511' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -2.683 0 C1'-O4'-C4' 106.6 -2.214 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.884 0 O5'-C5'-C4' 114.51 3.078 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.068 0 P-O3'-C3' 123.275 2.979 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.144 1 P-O3'-C3' 124.8 4.25 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.729 0 O5'-C5'-C4' 114.457 3.041 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.503 0 P-O3'-C3' 123.217 2.931 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.462 0 P-O3'-C3' 123.051 2.793 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.509 0 O4'-C4'-C3' 108.624 3.024 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.656 0 O4'-C4'-C3' 108.543 2.943 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.25 0 P-O3'-C3' 122.918 2.682 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.791 0 CA-C-O 120.876 0.369 . . . . 20.0 110.827 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -77.06 159.3 29.96 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.208 -0.451 . . . . 20.0 110.912 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -88.45 110.66 21.01 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 116.215 -0.448 . . . . 20.0 110.582 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -80.62 -179.98 7.48 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 116.103 -0.499 . . . . 20.0 110.867 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 15.0 tpt -138.97 79.96 1.76 Allowed 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 121.059 0.457 . . . . 20.0 111.036 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -145.07 49.74 1.26 Allowed 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 115.844 -0.616 . . . . 20.0 110.278 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 35.0 m -92.82 167.72 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 115.547 -0.751 . . . . 20.0 111.075 -175.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -83.17 155.82 23.55 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 116.151 -0.477 . . . . 20.0 110.791 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -140.78 157.3 45.6 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 116.193 -0.458 . . . . 20.0 110.848 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -124.45 37.51 4.39 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 121.133 0.492 . . . . 20.0 110.461 176.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 37.3 p30 -84.49 9.56 13.16 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.928 -0.578 . . . . 20.0 111.36 -175.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 483' ' ' HIS . . . . . 0.537 ' HB3' HD21 ' A' ' 509' ' ' LEU . 55.2 p-80 -161.31 177.24 10.35 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.981 0.419 . . . . 20.0 111.284 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -135.65 157.24 47.37 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.585 -0.734 . . . . 20.0 109.64 169.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -102.3 134.49 45.5 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.992 0.425 . . . . 20.0 110.965 -174.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 13.2 tp -135.37 118.0 15.97 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.838 -0.619 . . . . 20.0 110.238 -177.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 23.9 mt -87.63 123.46 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-O 120.941 0.4 . . . . 20.0 110.583 -178.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 38.2 t -137.8 129.08 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.787 -0.642 . . . . 20.0 110.116 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.45 37.22 22.18 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-O 120.874 0.368 . . . . 20.0 111.177 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.33 2.42 87.5 Favored Glycine 0 CA--C 1.55 2.248 0 C-N-CA 121.518 -0.372 . . . . 20.0 112.908 177.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -111.61 137.38 49.55 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.476 0.31 . . . . 20.0 110.656 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 89.7 t -80.21 119.15 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 116.56 -0.291 . . . . 20.0 110.284 174.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -101.42 150.97 22.49 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.204 -0.453 . . . . 20.0 110.305 172.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -116.38 122.34 44.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 20.0 109.985 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.8 mt -116.3 126.79 73.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-O 120.833 0.349 . . . . 20.0 110.965 -171.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 8.5 t -63.21 136.12 57.53 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 116.204 -0.453 . . . . 20.0 110.614 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 21.1 pt -68.42 -40.31 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 CA-C-N 116.58 -0.282 . . . . 20.0 111.598 -176.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 47.4 t -60.93 -64.71 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 111.955 0.354 . . . . 20.0 111.955 -176.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 27.7 p -105.19 -4.32 21.9 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 112.487 0.551 . . . . 20.0 112.487 -169.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 59.7 35.54 22.3 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 122.619 0.367 . . . . 20.0 111.954 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -76.84 129.85 36.81 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 109.873 -0.418 . . . . 20.0 109.873 169.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 36.4 p -93.28 145.96 24.06 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.955 0.407 . . . . 20.0 111.233 -175.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -138.48 141.81 39.43 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.867 -0.606 . . . . 20.0 111.016 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 55.0 t -79.0 -19.69 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 116.04 -0.527 . . . . 20.0 110.825 175.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 86.2 m -125.64 164.32 20.84 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 120.972 0.415 . . . . 20.0 110.865 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 20.7 mt -86.95 -33.56 19.63 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.103 -0.499 . . . . 20.0 110.657 173.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 24.8 p -58.33 -43.55 88.27 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 116.676 -0.238 . . . . 20.0 111.236 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 5.7 p -66.22 -37.67 86.09 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 116.529 -0.305 . . . . 20.0 111.03 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 483' ' ' HIS . 3.3 tp -64.35 -47.37 79.57 Favored 'General case' 0 CA--C 1.552 1.058 0 CA-C-N 116.618 -0.265 . . . . 20.0 111.06 177.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 7.4 mmm-85 -59.79 -46.98 87.51 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 120.872 0.368 . . . . 20.0 110.312 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -53.39 -48.62 68.48 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.878 -0.601 . . . . 20.0 110.746 174.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -63.99 -42.82 97.08 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-N 116.282 -0.417 . . . . 20.0 111.279 -176.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.25 -24.52 64.95 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 111.545 0.202 . . . . 20.0 111.545 -175.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -20.11 62.87 Favored 'General case' 0 CA--C 1.561 1.369 0 CA-C-O 120.515 0.198 . . . . 20.0 111.151 176.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 33.5 mt -79.49 -20.01 12.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 CA-C-O 120.638 0.256 . . . . 20.0 110.905 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -94.46 -40.8 9.71 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.62 0.248 . . . . 20.0 110.932 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 87.3 p -83.11 -32.66 26.6 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.423 -0.353 . . . . 20.0 111.363 -176.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 52.1 m95 49.22 37.5 11.31 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 121.169 0.509 . . . . 20.0 110.685 -171.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.21 -30.94 71.5 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.77 -0.65 . . . . 20.0 111.194 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -128.43 131.31 48.43 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.389 -0.369 . . . . 20.0 110.463 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -95.01 142.84 27.03 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.172 -0.467 . . . . 20.0 110.531 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 522' ' ' TYR . . . . . 0.4 ' CE1' ' HB2' ' A' ' 534' ' ' ALA . 92.2 m-85 -123.07 79.73 51.43 Favored Pre-proline 0 CA--C 1.543 0.706 0 CA-C-N 116.22 -0.446 . . . . 20.0 110.265 172.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.94 142.2 17.29 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.808 2.339 . . . . 20.0 112.586 -177.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 41.0 t -77.51 145.35 37.04 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.905 -0.589 . . . . 20.0 110.37 173.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -85.08 -29.31 25.0 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 120.699 0.285 . . . . 20.0 111.114 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -83.2 -27.81 29.73 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 116.349 -0.387 . . . . 20.0 111.618 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.2 p -138.82 162.55 34.48 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 120.728 0.299 . . . . 20.0 110.633 175.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -80.36 28.85 0.3 Allowed 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 116.569 -0.287 . . . . 20.0 111.701 -173.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -87.58 146.71 25.64 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.42 0.288 . . . . 20.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 10.1 t -123.58 136.54 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 CA-C-N 116.178 -0.464 . . . . 20.0 110.725 173.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -109.37 150.1 40.66 Favored Pre-proline 0 CA--C 1.54 0.593 0 CA-C-N 115.938 -0.574 . . . . 20.0 110.506 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -82.26 -5.39 11.93 Favored 'Trans proline' 0 CA--C 1.549 1.249 0 C-N-CA 122.815 2.344 . . . . 20.0 112.506 176.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 533' ' ' LEU . . . . . 0.4 HD22 ' CZ ' ' A' ' 536' ' ' TYR . 6.9 mp -132.78 144.47 50.27 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.716 0.406 . . . . 20.0 110.425 -178.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 534' ' ' ALA . . . . . 0.4 ' HB2' ' CE1' ' A' ' 522' ' ' TYR . . . -68.76 -44.03 74.57 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 116.479 -0.328 . . . . 20.0 111.371 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -62.47 -39.22 92.75 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.713 -0.221 . . . . 20.0 110.803 -177.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 536' ' ' TYR . . . . . 0.4 ' CZ ' HD22 ' A' ' 533' ' ' LEU . 11.9 m-30 -62.65 -39.07 92.72 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.641 -0.254 . . . . 20.0 110.609 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 537' ' ' ARG . . . . . 0.478 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -56.65 -54.3 47.71 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.337 -0.392 . . . . 20.0 110.217 172.441 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 538' ' ' THR . . . . . 0.478 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 48.1 m -58.54 -53.97 52.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.782 -0.644 . . . . 20.0 111.115 -173.183 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -63.06 -34.24 77.15 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.739 -0.209 . . . . 20.0 110.889 -176.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -67.23 -46.02 75.05 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-O 120.718 0.294 . . . . 20.0 110.986 174.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.83 -30.82 70.31 Favored 'General case' 0 CA--C 1.55 0.954 0 O-C-N 122.299 -0.25 . . . . 20.0 110.999 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 22.5 mt -62.27 -29.02 45.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-O 120.868 0.366 . . . . 20.0 110.558 171.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.66 -27.55 61.31 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 116.263 -0.426 . . . . 20.0 110.957 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -78.01 -41.65 35.14 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-O 120.525 0.202 . . . . 20.0 111.015 176.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 80.4 p -77.82 -18.99 55.73 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 116.798 -0.183 . . . . 20.0 111.351 -177.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 76.75 17.06 80.23 Favored Glycine 0 CA--C 1.542 1.726 0 C-N-CA 121.549 -0.358 . . . . 20.0 112.534 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.36 98.89 0.37 Allowed 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 120.959 0.409 . . . . 20.0 111.173 -174.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 75.6 mtt-85 -85.64 94.12 9.0 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 121.007 0.432 . . . . 20.0 110.3 176.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -90.88 -27.05 19.04 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 115.627 -0.715 . . . . 20.0 111.929 -169.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -91.74 89.81 7.26 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.882 0.372 . . . . 20.0 110.706 -173.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -80.66 128.8 34.03 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.263 -0.426 . . . . 20.0 110.853 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 24.6 t -86.43 107.64 18.14 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.442 -0.344 . . . . 20.0 110.421 174.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 26.6 mt -68.2 -17.13 64.24 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 116.727 -0.215 . . . . 20.0 111.563 -177.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.15 -50.15 17.21 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-O 120.479 0.181 . . . . 20.0 111.369 -175.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 26.3 p -118.89 -12.89 9.53 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 111.77 0.285 . . . . 20.0 111.77 -175.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 102.62 -13.36 56.61 Favored Glycine 0 CA--C 1.549 2.167 0 C-N-CA 121.642 -0.313 . . . . 20.0 113.08 174.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -72.26 130.22 40.28 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 117.134 0.467 . . . . 20.0 111.106 -173.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 53.3 m -101.77 143.02 32.21 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 120.805 0.336 . . . . 20.0 110.839 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -122.37 157.27 32.2 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.217 -0.447 . . . . 20.0 111.045 -176.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.2 tt -82.4 -23.22 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 116.196 -0.456 . . . . 20.0 111.765 -170.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 34.2 p30 -152.85 171.38 18.36 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 120.982 0.42 . . . . 20.0 111.15 -176.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -62.02 -41.57 98.22 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.891 -0.595 . . . . 20.0 111.219 -178.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.8 mp0 -56.97 -44.54 82.74 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.586 -0.279 . . . . 20.0 111.031 -173.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -69.42 -46.66 66.29 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.563 -0.29 . . . . 20.0 110.932 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 29.2 ttp -58.56 -52.01 67.47 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 120.667 0.27 . . . . 20.0 111.193 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 12.0 t -63.6 -42.68 98.22 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.6 -0.273 . . . . 20.0 110.775 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 28.6 t -58.92 -42.69 90.28 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.813 0.34 . . . . 20.0 110.794 175.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 43.6 t60 -66.49 -46.64 75.64 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 116.365 -0.38 . . . . 20.0 111.193 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 78.3 mt -63.43 -40.17 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-O 120.474 0.178 . . . . 20.0 110.664 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -67.56 -41.24 84.53 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.808 -0.178 . . . . 20.0 111.316 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 29.6 p -83.72 -32.02 25.73 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 111.752 0.278 . . . . 20.0 111.752 -173.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 76.0 t -99.07 -47.99 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 CA-C-O 120.511 0.196 . . . . 20.0 111.387 -173.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -100.16 -15.57 18.1 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 116.562 -0.29 . . . . 20.0 111.52 -173.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 96.2 p 53.17 33.25 14.83 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 122.961 0.504 . . . . 20.0 111.62 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -113.71 171.76 7.39 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 116.317 -0.402 . . . . 20.0 111.117 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -103.87 112.95 65.76 Favored Pre-proline 0 CA--C 1.561 1.395 0 CA-C-N 116.13 -0.487 . . . . 20.0 111.127 -175.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -88.71 0.4 6.42 Favored 'Trans proline' 0 CA--C 1.566 2.111 0 C-N-CA 123.178 2.585 . . . . 20.0 113.217 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 34.9 t -52.75 -30.2 31.31 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 112.51 0.559 . . . . 20.0 112.51 -169.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -128.65 -166.6 12.01 Favored Glycine 0 N--CA 1.481 1.643 0 N-CA-C 111.305 -0.718 . . . . 20.0 111.305 173.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -75.49 79.89 2.52 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 121.179 0.514 . . . . 20.0 110.562 177.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 73.2 m -84.16 0.58 48.06 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.834 -0.621 . . . . 20.0 111.213 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 62.81 45.03 5.93 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 122.955 0.502 . . . . 20.0 110.804 -173.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 37.5 mt -118.15 -24.73 6.88 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 115.832 -0.622 . . . . 20.0 111.204 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -148.38 157.82 43.72 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.758 0.313 . . . . 20.0 110.795 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -136.87 129.13 29.78 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.2 -0.455 . . . . 20.0 110.452 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.1 tt -94.2 110.17 21.92 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.312 -0.404 . . . . 20.0 110.565 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -84.8 153.87 61.02 Favored Pre-proline 0 CA--C 1.551 1.009 0 CA-C-N 116.253 -0.431 . . . . 20.0 110.741 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -64.72 156.04 63.72 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 122.385 2.057 . . . . 20.0 112.366 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 49.0 t -89.77 128.49 36.14 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.15 -0.477 . . . . 20.0 110.481 174.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -125.17 -20.08 4.97 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 116.41 -0.359 . . . . 20.0 111.651 -175.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 30.1 p -67.95 -25.79 65.63 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 111.79 0.293 . . . . 20.0 111.79 -175.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.8 pp -139.78 162.38 35.27 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 120.863 0.363 . . . . 20.0 111.026 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -87.02 108.37 18.83 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 116.083 -0.508 . . . . 20.0 111.559 -170.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 33.9 pt -143.7 169.72 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-N 115.9 -0.591 . . . . 20.0 109.984 170.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 595' ' ' ARG . . . . . 0.467 HH22 " H1'" ' E' ' 27' ' ' ' DG' . 12.1 ptt180 -75.32 145.2 41.96 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.822 -0.436 . . . . 20.0 109.822 171.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -129.32 120.59 25.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.057 0.456 . . . . 20.0 110.85 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -59.05 145.83 40.64 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.631 -0.713 . . . . 20.0 110.648 177.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -68.06 -9.95 50.0 Favored 'General case' 0 CA--C 1.555 1.144 0 N-CA-C 111.956 0.354 . . . . 20.0 111.956 -171.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -77.56 -15.62 59.14 Favored 'General case' 0 CA--C 1.556 1.206 0 O-C-N 122.329 -0.232 . . . . 20.0 110.909 174.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -90.0 -30.24 17.9 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 120.949 0.404 . . . . 20.0 110.104 169.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 58.1 m -76.67 -5.18 46.83 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 115.911 -0.586 . . . . 20.0 111.958 -172.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -126.79 133.25 50.85 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 120.803 0.335 . . . . 20.0 110.904 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -139.08 134.04 32.39 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 116.072 -0.513 . . . . 20.0 110.572 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 N--CA 1.48 1.04 0 CA-C-N 116.148 -0.478 . . . . 20.0 110.904 179.155 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.11 0 O5'-C5'-C4' 114.082 2.773 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.6 0 O4'-C4'-C3' 108.576 2.976 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.49 0 O5'-C5'-C4' 114.077 2.769 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.485 0 O5'-C5'-C4' 115.243 3.602 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.529 0 P-O3'-C3' 123.359 3.049 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.107 0 O4'-C4'-C3' 108.8 3.2 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.89 0 O4'-C4'-C3' 109.508 3.908 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.813 0 O4'-C4'-C3' 109.185 3.585 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.185 0 C3'-C2'-C1' 97.114 -3.99 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.449 0 C5'-C4'-C3' 110.331 -2.913 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.279 0 P-O3'-C3' 123.618 3.265 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.254 0 P-O3'-C3' 122.756 2.547 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.409 0 P-O3'-C3' 123.539 3.199 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.468 0 P-O3'-C3' 124.02 3.6 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.45 0 O4'-C4'-C3' 108.414 2.814 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.38 0 O4'-C4'-C3' 108.367 2.767 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.28 0 O4'-C4'-C3' 108.76 3.16 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.846 0 O5'-C5'-C4' 114.158 2.827 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.26 0 P-O3'-C3' 123.298 2.998 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.524 0 C1'-O4'-C4' 106.19 -2.507 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.65 0 O4'-C4'-C3' 108.191 2.591 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.254 0 P-O3'-C3' 122.932 2.693 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.77 0 O4'-C4'-C3' 108.596 2.996 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.053 0 C1'-O4'-C4' 104.898 -3.43 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.837 0 O5'-C5'-C4' 114.405 3.004 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.129 0 P-O3'-C3' 123.277 2.981 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 27' ' ' ' DG' . . . . . 0.467 " H1'" HH22 ' A' ' 595' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.341 2 C3'-C2'-C1' 95.449 -5.179 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.409 -1.659 0 O3'-P-O5' 98.563 -2.862 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.577 -2.522 0 C1'-O4'-C4' 105.858 -2.744 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.546 4.409 0 O5'-C5'-C4' 115.455 3.753 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 0 O4'-C4'-C3' 108.57 2.97 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.101 0 P-O3'-C3' 124.198 3.748 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.649 0 O5'-C5'-C4' 114.827 3.305 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.478 0 P-O3'-C3' 123.185 2.905 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.632 0 P-O3'-C3' 123.227 2.939 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.591 0 O4'-C4'-C3' 108.691 3.091 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.525 0 O4'-C4'-C3' 108.634 3.034 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.237 0 P-O3'-C3' 122.871 2.642 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.81 0 CA-C-O 120.817 0.341 . . . . 20.0 110.604 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -159.26 173.45 16.32 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 116.199 -0.455 . . . . 20.0 110.505 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -82.94 131.11 35.2 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.306 -0.407 . . . . 20.0 110.694 178.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -104.95 114.72 29.09 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 116.127 -0.488 . . . . 20.0 110.274 177.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 20.4 mmt -145.03 129.88 18.25 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 116.454 -0.339 . . . . 20.0 110.853 -177.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.81 49.98 1.37 Allowed 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 116.117 -0.492 . . . . 20.0 110.303 176.204 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 23.5 m -134.7 151.55 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-N 116.159 -0.473 . . . . 20.0 111.281 -173.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -73.4 162.7 29.01 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 115.917 -0.583 . . . . 20.0 110.913 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -132.43 154.17 50.12 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.884 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -135.87 35.32 2.86 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-O 121.317 0.579 . . . . 20.0 110.082 175.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -95.0 12.42 28.51 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.572 -0.74 . . . . 20.0 111.37 -172.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 483' ' ' HIS . . . . . 0.49 ' HB3' HD21 ' A' ' 509' ' ' LEU . 50.7 p-80 -160.93 176.34 11.53 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 120.891 0.377 . . . . 20.0 111.165 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -136.51 158.15 45.1 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.82 -0.627 . . . . 20.0 110.09 169.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -99.04 136.44 39.0 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.881 0.372 . . . . 20.0 110.831 -177.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.3 tp -134.01 114.6 13.39 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.018 -0.537 . . . . 20.0 110.313 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 29.6 mt -85.76 123.52 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 120.912 0.387 . . . . 20.0 110.541 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 50.0 t -135.71 124.6 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 115.858 -0.61 . . . . 20.0 110.162 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 37.1 t0 50.71 40.48 24.28 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-O 121.076 0.465 . . . . 20.0 111.041 -178.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.15 -23.28 11.63 Favored Glycine 0 CA--C 1.549 2.192 0 CA-C-N 116.162 -0.472 . . . . 20.0 112.94 176.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -87.04 137.35 32.42 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 116.904 0.352 . . . . 20.0 111.04 -177.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 92.5 t -80.58 122.83 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 116.503 -0.317 . . . . 20.0 110.149 171.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -105.03 153.99 20.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.261 -0.427 . . . . 20.0 110.176 172.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -118.0 123.19 45.11 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.266 -0.424 . . . . 20.0 110.119 178.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.3 mt -115.5 129.17 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-O 120.832 0.349 . . . . 20.0 111.14 -170.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 7.4 t -65.82 136.03 55.64 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.168 -0.469 . . . . 20.0 110.611 177.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 29.3 pt -68.53 -39.82 81.13 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 CA-C-N 116.626 -0.261 . . . . 20.0 111.58 -176.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 43.3 t -61.1 -65.02 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 N-CA-C 112.125 0.417 . . . . 20.0 112.125 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 29.7 p -105.05 -5.87 20.49 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 112.614 0.598 . . . . 20.0 112.614 -169.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 60.45 37.7 19.69 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 111.964 0.357 . . . . 20.0 111.964 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -78.44 131.6 36.97 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 109.845 -0.428 . . . . 20.0 109.845 169.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 24.6 p -94.28 143.23 26.57 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 120.916 0.389 . . . . 20.0 111.142 -176.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -135.01 142.82 46.51 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.85 -0.614 . . . . 20.0 110.968 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 72.3 t -80.92 -19.32 11.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-N 116.0 -0.545 . . . . 20.0 110.718 175.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 75.3 m -133.56 134.15 42.99 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.834 0.35 . . . . 20.0 111.065 -178.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 17.2 mt -57.67 -34.88 69.86 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 116.328 -0.396 . . . . 20.0 111.149 177.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 27.8 p -56.97 -38.88 73.62 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-O 120.513 0.197 . . . . 20.0 111.076 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 13.6 m -66.63 -42.89 86.04 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.559 -0.291 . . . . 20.0 110.968 175.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.49 HD21 ' HB3' ' A' ' 483' ' ' HIS . 2.1 tp -61.64 -47.44 85.41 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 116.324 -0.398 . . . . 20.0 110.902 179.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 51.5 mmm-85 -64.39 -44.17 92.15 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 120.611 0.243 . . . . 20.0 110.617 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 511' ' ' ARG . . . . . 0.435 ' HD3' ' H72' ' D' ' 9' ' ' ' DT' . 11.8 ttm180 -52.51 -45.59 66.3 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 116.126 -0.488 . . . . 20.0 110.674 171.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -70.63 -42.52 70.8 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-N 116.116 -0.493 . . . . 20.0 111.347 -176.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -59.56 -25.28 64.43 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 111.574 0.213 . . . . 20.0 111.574 -174.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -23.35 60.08 Favored 'General case' 0 CA--C 1.565 1.556 0 CA-C-N 116.782 -0.19 . . . . 20.0 111.129 175.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 34.5 mt -76.24 -23.37 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 122.555 0.342 . . . . 20.0 111.061 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -93.12 -43.9 8.63 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 120.735 0.303 . . . . 20.0 111.026 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 82.3 p -78.83 -31.99 46.03 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.311 -0.404 . . . . 20.0 111.401 -174.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 55.3 m95 50.06 34.17 7.91 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 121.301 0.572 . . . . 20.0 110.588 -169.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -59.86 -34.55 73.28 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.698 -0.683 . . . . 20.0 110.917 176.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -136.5 122.85 20.64 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.002 -0.545 . . . . 20.0 110.354 -175.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -94.7 144.02 25.96 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.311 -0.404 . . . . 20.0 110.583 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -122.51 79.85 46.77 Favored Pre-proline 0 CA--C 1.548 0.898 0 CA-C-N 116.026 -0.534 . . . . 20.0 110.116 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.07 146.22 22.68 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.735 2.29 . . . . 20.0 112.879 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 41.1 t -78.63 142.41 37.24 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 115.746 -0.661 . . . . 20.0 110.617 175.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -80.97 -31.12 34.97 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 120.617 0.246 . . . . 20.0 111.159 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -84.27 -25.82 29.08 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-N 116.43 -0.35 . . . . 20.0 111.826 -173.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 13.7 p -144.22 175.13 10.3 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 120.708 0.289 . . . . 20.0 111.016 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -82.25 6.13 17.75 Favored 'General case' 0 CA--C 1.564 1.482 0 N-CA-C 112.16 0.43 . . . . 20.0 112.16 -170.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -65.2 141.65 58.58 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.741 0.305 . . . . 20.0 111.258 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 19.2 t -123.59 129.37 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 115.84 -0.618 . . . . 20.0 109.86 169.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -104.87 149.43 37.53 Favored Pre-proline 0 CA--C 1.541 0.633 0 CA-C-N 116.271 -0.422 . . . . 20.0 110.485 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -81.95 -7.0 12.3 Favored 'Trans proline' 0 CA--C 1.554 1.5 0 C-N-CA 122.897 2.398 . . . . 20.0 112.737 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 9.4 mp -131.6 146.92 52.45 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.628 0.371 . . . . 20.0 110.176 177.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -65.41 -46.56 79.49 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.722 0.296 . . . . 20.0 111.15 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -63.04 -37.7 88.24 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.452 -0.34 . . . . 20.0 111.188 -177.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -60.64 -40.42 91.93 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 120.581 0.229 . . . . 20.0 110.551 177.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -62.65 -49.06 76.66 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.511 -0.313 . . . . 20.0 110.412 174.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 31.1 m -52.5 -56.34 15.81 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.501 -0.318 . . . . 20.0 111.155 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -67.45 -29.94 69.53 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.693 -0.23 . . . . 20.0 110.913 -173.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -67.39 -43.85 80.35 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-O 120.649 0.262 . . . . 20.0 110.791 171.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -68.34 -29.82 68.64 Favored 'General case' 0 CA--C 1.552 1.045 0 O-C-N 122.303 -0.248 . . . . 20.0 111.127 -179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 21.1 mt -63.41 -27.96 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 CA-C-O 120.824 0.345 . . . . 20.0 110.727 170.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -72.54 -26.41 61.74 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 116.308 -0.405 . . . . 20.0 110.853 175.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -79.67 -45.97 18.03 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 116.616 -0.266 . . . . 20.0 111.109 175.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 58.2 p -68.92 -32.6 72.34 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 120.612 0.244 . . . . 20.0 110.799 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 85.7 13.99 68.76 Favored Glycine 0 CA--C 1.537 1.463 0 CA-C-N 116.352 -0.385 . . . . 20.0 112.414 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -63.41 119.44 9.73 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 120.756 0.312 . . . . 20.0 111.181 -176.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.56 147.94 33.56 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 116.238 -0.437 . . . . 20.0 110.206 171.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -136.18 -38.05 0.7 Allowed 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 116.449 -0.341 . . . . 20.0 111.772 -177.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -98.51 115.09 27.81 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 120.634 0.254 . . . . 20.0 110.786 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -105.82 127.93 53.42 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 120.822 0.344 . . . . 20.0 110.639 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 43.4 t -66.21 143.89 56.96 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.213 -0.448 . . . . 20.0 109.96 171.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 86.5 mt -100.4 -15.95 17.77 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 120.493 0.187 . . . . 20.0 111.275 -178.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.01 -49.43 19.86 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-O 120.541 0.21 . . . . 20.0 111.184 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 31.9 p -120.02 -2.11 10.29 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 112.072 0.397 . . . . 20.0 112.072 -174.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 79.99 0.41 85.43 Favored Glycine 0 CA--C 1.556 2.618 0 C-N-CA 120.948 -0.644 . . . . 20.0 113.4 172.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -71.91 139.52 48.79 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 117.3 0.55 . . . . 20.0 111.026 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 57.7 m -106.45 149.15 27.34 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-N 116.245 -0.434 . . . . 20.0 111.299 -176.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -133.58 159.0 41.76 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 116.035 -0.529 . . . . 20.0 111.122 -175.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 3.9 tt -84.92 -26.07 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 CA-C-N 116.085 -0.507 . . . . 20.0 111.573 -173.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -151.98 168.99 23.44 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-O 120.978 0.418 . . . . 20.0 111.018 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -69.96 -36.75 75.5 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.042 -0.527 . . . . 20.0 111.045 -172.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -59.27 -43.53 92.48 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 116.425 -0.352 . . . . 20.0 110.959 -175.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -70.85 -44.84 65.61 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 116.585 -0.28 . . . . 20.0 111.147 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -40.95 91.5 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-O 120.593 0.235 . . . . 20.0 111.008 -176.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 26.0 t -60.74 -48.21 82.81 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 120.72 0.295 . . . . 20.0 110.597 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 21.4 t -59.74 -40.38 87.89 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.344 -0.389 . . . . 20.0 111.054 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -62.31 -50.34 72.05 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.437 -0.347 . . . . 20.0 111.202 -178.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 70.7 mt -64.4 -38.93 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-O 120.642 0.258 . . . . 20.0 110.675 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -67.45 -44.26 79.09 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.445 -0.343 . . . . 20.0 111.167 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 46.5 p -80.62 -33.51 35.73 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 111.823 0.305 . . . . 20.0 111.823 -174.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 73.5 t -93.21 -48.14 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-O 120.558 0.218 . . . . 20.0 111.45 -172.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -100.08 -1.36 37.04 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 116.577 -0.283 . . . . 20.0 111.538 -172.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 44.4 m 54.15 35.82 23.35 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 122.571 0.349 . . . . 20.0 111.312 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -129.86 158.97 38.01 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.273 -0.421 . . . . 20.0 110.791 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -107.35 110.89 63.28 Favored Pre-proline 0 CA--C 1.552 1.028 0 CA-C-N 116.236 -0.438 . . . . 20.0 110.675 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -75.75 -15.08 19.34 Favored 'Trans proline' 0 CA--C 1.547 1.163 0 C-N-CA 122.666 2.244 . . . . 20.0 112.397 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 7.8 t -79.46 -13.08 59.82 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-N 116.498 -0.319 . . . . 20.0 111.141 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -80.77 -129.46 0.9 Allowed Glycine 0 CA--C 1.54 1.623 0 N-CA-C 112.125 -0.39 . . . . 20.0 112.125 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -120.05 29.69 7.39 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 120.833 0.349 . . . . 20.0 110.969 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 60.8 p -89.71 -43.76 10.49 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.529 -0.305 . . . . 20.0 111.182 -177.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 59.18 68.6 0.79 Allowed 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.199 0.524 . . . . 20.0 110.748 -176.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 12.5 mt -101.38 18.73 19.31 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 115.696 -0.684 . . . . 20.0 111.406 -175.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -148.0 163.27 37.38 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 120.855 0.36 . . . . 20.0 111.005 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -135.37 140.88 45.36 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.972 -0.558 . . . . 20.0 110.541 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -98.83 124.54 43.79 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.305 -0.407 . . . . 20.0 110.662 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -101.68 158.83 31.02 Favored Pre-proline 0 CA--C 1.555 1.152 0 CA-C-N 116.224 -0.443 . . . . 20.0 110.692 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.92 144.16 99.51 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 122.687 2.258 . . . . 20.0 112.685 -176.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 52.6 m -100.08 129.29 46.11 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.169 -0.469 . . . . 20.0 110.265 173.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -147.14 -1.06 0.67 Allowed 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.238 0.459 . . . . 20.0 112.238 -171.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 95.4 p -67.41 -20.43 65.53 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 120.58 0.229 . . . . 20.0 111.334 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.97 168.96 18.6 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.464 -0.335 . . . . 20.0 110.655 177.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -79.28 105.93 10.95 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.259 -0.428 . . . . 20.0 111.37 -172.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 27.9 pt -147.89 171.85 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 CA-C-N 115.831 -0.622 . . . . 20.0 110.041 170.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -80.94 147.47 30.27 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 110.163 -0.31 . . . . 20.0 110.163 172.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -125.88 118.78 26.19 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.898 0.38 . . . . 20.0 110.39 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -59.85 151.62 25.22 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.848 -0.614 . . . . 20.0 110.971 -177.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -64.1 -13.45 47.8 Favored 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 112.2 0.445 . . . . 20.0 112.2 -173.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -80.94 -13.61 58.74 Favored 'General case' 0 CA--C 1.557 1.236 0 O-C-N 122.432 -0.167 . . . . 20.0 111.129 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.31 -33.73 25.86 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 120.812 0.339 . . . . 20.0 110.175 169.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 1.5 t -74.08 0.29 14.24 Favored 'General case' 0 CA--C 1.56 1.334 0 CA-C-N 116.147 -0.479 . . . . 20.0 111.523 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -67.8 170.56 7.8 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 120.895 0.379 . . . . 20.0 111.035 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -139.07 156.63 47.04 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 116.29 -0.414 . . . . 20.0 111.044 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.486 1.33 0 CA-C-N 116.102 -0.499 . . . . 20.0 111.165 179.67 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.044 0 O5'-C5'-C4' 114.16 2.829 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.543 0 O4'-C4'-C3' 108.521 2.921 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.433 0 O5'-C5'-C4' 114.069 2.763 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.59 0 O4'-C4'-C3' 109.175 3.575 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.384 0 P-O3'-C3' 123.661 3.301 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 0 O5'-C5'-C4' 114.545 3.103 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.544 4.124 0 O4'-C4'-C3' 109.556 3.956 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.847 0 O4'-C4'-C3' 108.806 3.206 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.435 ' H72' ' HD3' ' A' ' 511' ' ' ARG . . . . . . . . 0 P--O5' 1.629 3.557 0 C3'-C2'-C1' 97.685 -3.582 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.209 0 C5'-C4'-C3' 109.617 -3.388 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.18 0 P-O3'-C3' 122.979 2.732 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.045 0 P-O3'-C3' 122.787 2.573 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.382 0 P-O3'-C3' 123.38 3.067 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.5 1 P-O3'-C3' 124.631 4.109 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.439 0 O4'-C4'-C3' 108.561 2.961 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.2 0 O5'-C5'-C4' 115.197 3.569 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.239 0 O4'-C4'-C3' 108.819 3.219 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.881 0 C1'-O4'-C4' 106.229 -2.479 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.426 0 P-O3'-C3' 122.697 2.497 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.623 0 C1'-O4'-C4' 106.146 -2.539 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.665 0 O4'-C4'-C3' 108.351 2.751 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.35 0 P-O3'-C3' 123.016 2.763 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.599 0 P-O3'-C3' 123.541 3.201 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.397 0 C1'-O4'-C4' 105.712 -2.849 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.719 0 O4'-C4'-C3' 108.633 3.033 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.615 0 P-O3'-C3' 123.802 3.418 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 27' ' ' ' DG' . . . . . 0.409 " H1'" ' C8 ' ' E' ' 28' ' ' ' DG' . . . . . . . . 0 P--O5' 1.628 3.5 0 C3'-C2'-C1' 97.397 -3.788 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 28' ' ' ' DG' . . . . . 0.409 ' C8 ' " H1'" ' E' ' 27' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.406 -1.96 0 C5'-C4'-C3' 109.331 -3.58 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.935 0 C1'-O4'-C4' 106.1 -2.571 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.544 0 O5'-C5'-C4' 115.564 3.831 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.818 0 P-O3'-C3' 123.371 3.059 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.621 2 O5'-C5'-C4' 116.344 4.389 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.188 0 O5'-C5'-C4' 115.523 3.802 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.465 0 P-O3'-C3' 123.25 2.958 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.551 0 P-O3'-C3' 123.243 2.952 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.629 0 O4'-C4'-C3' 108.612 3.012 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.619 0 O4'-C4'-C3' 108.604 3.004 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.288 0 P-O3'-C3' 122.95 2.708 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.819 0 CA-C-O 120.81 0.338 . . . . 20.0 110.757 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -77.05 154.1 33.73 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 116.279 -0.419 . . . . 20.0 110.851 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -147.92 163.03 38.07 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 116.311 -0.404 . . . . 20.0 110.981 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 85.9 mmt-85 -147.53 147.55 30.25 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 116.081 -0.509 . . . . 20.0 110.624 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 1.8 mmm -167.07 170.48 11.89 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 116.333 -0.394 . . . . 20.0 110.747 176.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -116.22 49.85 1.09 Allowed 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 116.171 -0.468 . . . . 20.0 110.402 175.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 5.8 m -79.29 141.11 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.908 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -70.24 149.24 47.66 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.675 175.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -103.98 147.41 27.4 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 116.067 -0.515 . . . . 20.0 110.758 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -90.92 16.36 9.62 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 116.286 -0.415 . . . . 20.0 111.474 -175.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 11.6 p30 -83.55 9.3 11.71 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 116.503 -0.317 . . . . 20.0 111.24 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 483' ' ' HIS . . . . . 0.461 ' HB3' HD21 ' A' ' 509' ' ' LEU . 56.5 p-80 -159.47 175.52 13.19 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.828 0.346 . . . . 20.0 111.01 177.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -138.02 156.84 47.41 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.97 -0.559 . . . . 20.0 110.446 171.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -96.83 140.86 30.77 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 120.863 0.363 . . . . 20.0 110.809 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.7 tp -139.02 113.24 8.76 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.059 -0.519 . . . . 20.0 110.324 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 30.5 mt -84.12 123.56 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-O 120.951 0.405 . . . . 20.0 110.55 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 44.9 t -137.16 129.05 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 115.772 -0.649 . . . . 20.0 110.114 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.41 36.12 19.2 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-O 120.904 0.383 . . . . 20.0 111.282 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.97 0.91 86.73 Favored Glycine 0 CA--C 1.55 2.23 0 CA-C-N 116.408 -0.36 . . . . 20.0 112.94 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 -108.36 136.04 48.65 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.485 0.314 . . . . 20.0 110.647 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 73.3 t -80.04 118.5 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-O 120.724 0.297 . . . . 20.0 110.315 174.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -100.2 155.77 17.57 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.23 -0.441 . . . . 20.0 110.236 171.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -120.48 125.66 48.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.209 -0.451 . . . . 20.0 110.029 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.3 mt -120.49 130.0 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.866 0.365 . . . . 20.0 111.176 -169.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 5.2 t -67.67 136.93 55.11 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 116.157 -0.474 . . . . 20.0 110.656 176.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 35.6 pt -67.62 -40.9 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 N-CA-C 111.712 0.264 . . . . 20.0 111.712 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.91 -64.46 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 112.002 0.371 . . . . 20.0 112.002 -175.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.2 p -105.15 -6.34 19.94 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 112.477 0.547 . . . . 20.0 112.477 -169.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 62.1 36.23 15.34 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 122.679 0.391 . . . . 20.0 111.871 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -73.51 126.35 30.04 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 109.969 -0.382 . . . . 20.0 109.969 169.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 34.6 p -95.52 143.6 26.7 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 120.872 0.368 . . . . 20.0 111.202 -177.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -136.7 143.77 43.56 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.921 -0.581 . . . . 20.0 111.162 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 72.3 t -79.33 -21.14 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-N 115.933 -0.576 . . . . 20.0 110.828 174.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 69.3 m -133.3 133.28 42.37 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 120.762 0.315 . . . . 20.0 110.994 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 24.0 mt -55.31 -32.61 62.6 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 116.384 -0.371 . . . . 20.0 110.935 175.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 29.3 p -56.43 -40.23 74.41 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.585 0.231 . . . . 20.0 111.163 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 19.6 m -67.82 -41.91 82.34 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.61 -0.268 . . . . 20.0 110.925 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 483' ' ' HIS . 5.9 tp -60.38 -45.93 91.77 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.339 -0.391 . . . . 20.0 110.819 178.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -59.98 -44.8 94.26 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 120.75 0.309 . . . . 20.0 110.629 178.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -59.01 -38.42 79.19 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.069 -0.514 . . . . 20.0 110.937 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -78.32 -47.39 17.87 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 116.336 -0.393 . . . . 20.0 111.613 -175.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -58.94 -21.83 58.8 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 111.638 0.236 . . . . 20.0 111.638 -170.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -24.27 60.83 Favored 'General case' 0 CA--C 1.562 1.442 0 CA-C-O 120.508 0.194 . . . . 20.0 111.227 175.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 41.8 mt -73.94 -21.28 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 122.436 0.294 . . . . 20.0 111.05 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -94.23 -43.0 8.65 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.606 0.241 . . . . 20.0 110.925 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 94.0 p -74.28 -37.15 63.79 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.446 -0.343 . . . . 20.0 111.381 -175.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 63.7 m95 50.65 30.57 4.99 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.269 0.557 . . . . 20.0 110.504 -169.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -69.84 -32.93 71.59 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.856 -0.611 . . . . 20.0 110.622 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -127.39 115.88 19.62 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.175 -0.466 . . . . 20.0 110.386 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -90.24 146.78 23.98 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 116.342 -0.39 . . . . 20.0 110.731 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -123.64 79.86 55.37 Favored Pre-proline 0 CA--C 1.548 0.896 0 CA-C-N 116.123 -0.49 . . . . 20.0 110.599 178.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.98 145.44 24.92 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.755 2.303 . . . . 20.0 112.721 -177.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 40.5 t -80.75 146.25 31.1 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 115.884 -0.598 . . . . 20.0 110.595 175.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -82.37 -30.56 30.21 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 116.642 -0.254 . . . . 20.0 111.387 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -85.7 -26.61 25.82 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 116.561 -0.291 . . . . 20.0 111.722 -173.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 20.1 p -138.48 162.27 34.93 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 120.781 0.324 . . . . 20.0 110.713 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -80.97 29.36 0.34 Allowed 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 120.768 0.318 . . . . 20.0 111.655 -174.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -87.94 149.62 23.95 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 116.526 -0.306 . . . . 20.0 110.838 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 14.1 t -126.18 135.83 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 116.266 -0.425 . . . . 20.0 110.783 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -110.26 154.23 42.98 Favored Pre-proline 0 CA--C 1.543 0.692 0 CA-C-N 115.974 -0.557 . . . . 20.0 110.726 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -85.55 -4.55 9.21 Favored 'Trans proline' 0 CA--C 1.556 1.591 0 C-N-CA 122.963 2.442 . . . . 20.0 112.974 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.3 mp -132.95 146.94 52.23 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.393 0.277 . . . . 20.0 110.462 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.98 -44.63 92.11 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 116.526 -0.306 . . . . 20.0 110.891 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -55.78 -39.37 71.16 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.549 -0.296 . . . . 20.0 110.903 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 9.5 m-30 -68.62 -38.89 80.9 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.531 -0.304 . . . . 20.0 111.231 -173.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -68.8 -39.79 79.92 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 120.838 -0.345 . . . . 20.0 110.576 173.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 55.2 m -61.85 -57.1 13.13 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.51 0.195 . . . . 20.0 110.824 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -63.88 -32.01 73.39 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.808 -0.178 . . . . 20.0 110.932 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -67.53 -44.92 77.19 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-O 120.689 0.28 . . . . 20.0 110.967 175.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.64 -27.21 64.86 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-O 120.566 0.222 . . . . 20.0 110.827 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 13.1 mt -66.46 -26.8 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-O 120.736 0.303 . . . . 20.0 110.518 169.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -78.99 -30.42 44.32 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 116.324 -0.398 . . . . 20.0 111.153 176.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -72.53 -39.17 67.76 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 120.805 0.336 . . . . 20.0 110.696 175.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 21.6 p -84.76 -13.81 50.09 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 116.083 -0.508 . . . . 20.0 111.309 -177.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 70.22 13.3 70.14 Favored Glycine 0 CA--C 1.541 1.699 0 C-N-CA 121.564 -0.351 . . . . 20.0 112.487 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -57.11 115.06 2.42 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 120.847 0.355 . . . . 20.0 111.062 -176.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -76.7 138.63 40.12 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.327 -0.397 . . . . 20.0 110.218 174.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 51.8 mmm-85 -123.76 -59.19 1.54 Allowed 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 116.191 -0.459 . . . . 20.0 111.198 -172.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -92.44 107.32 19.12 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.707 0.289 . . . . 20.0 110.706 -173.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -98.04 137.44 36.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.352 -0.385 . . . . 20.0 110.6 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 45.9 t -73.23 151.46 41.42 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 109.983 -0.377 . . . . 20.0 109.983 171.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 92.1 mt -110.73 -14.09 14.07 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 120.472 0.177 . . . . 20.0 111.289 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.22 -47.41 28.32 Favored 'General case' 0 CA--C 1.556 1.18 0 CA-C-N 116.673 -0.24 . . . . 20.0 111.112 175.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 555' ' ' CYS . . . . . 0.988 ' SG ' 'ZN ' ' A' ' 703' ' ' ' ZN' . 31.5 p -120.07 -8.35 9.77 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 112.02 0.378 . . . . 20.0 112.02 -176.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 87.29 -3.93 86.4 Favored Glycine 0 CA--C 1.558 2.752 0 C-N-CA 121.006 -0.616 . . . . 20.0 113.684 172.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -67.79 137.32 55.3 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 117.401 0.6 . . . . 20.0 111.256 -175.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 16.7 m -101.59 135.37 43.23 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-N 116.274 -0.421 . . . . 20.0 111.276 -175.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -123.89 159.19 30.2 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 116.155 -0.475 . . . . 20.0 110.893 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 2.1 tt -80.53 -24.56 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-N 116.289 -0.414 . . . . 20.0 111.733 -172.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 42.5 p30 -154.63 170.48 21.41 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-O 120.955 0.407 . . . . 20.0 111.312 -173.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 562' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' A' ' 566' ' ' SER . 29.1 t80 -64.87 -38.05 89.69 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.027 -0.533 . . . . 20.0 111.146 -176.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.6 mp0 -58.46 -42.94 88.58 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.32 -0.4 . . . . 20.0 110.902 -174.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -69.02 -46.05 68.93 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.603 -0.271 . . . . 20.0 110.951 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -47.03 87.11 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-O 120.483 0.182 . . . . 20.0 111.121 -178.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 566' ' ' SER . . . . . 0.409 ' HB2' ' CE1' ' A' ' 562' ' ' TYR . 8.9 t -64.8 -45.74 84.99 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.633 0.254 . . . . 20.0 110.776 -178.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 24.1 t -58.9 -41.64 87.69 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.812 0.339 . . . . 20.0 110.817 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 31.0 t60 -63.73 -48.97 74.89 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.37 -0.377 . . . . 20.0 111.145 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 66.9 mt -59.35 -45.7 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-O 120.659 0.266 . . . . 20.0 110.54 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -66.49 -40.25 89.17 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.433 -0.349 . . . . 20.0 111.229 -176.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 36.6 p -82.19 -32.55 29.85 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 111.715 0.265 . . . . 20.0 111.715 -174.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 74.0 t -96.92 -50.3 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 CA-C-O 120.435 0.16 . . . . 20.0 111.37 -173.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -100.02 -15.84 18.12 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.592 -0.276 . . . . 20.0 111.501 -172.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 20.2 m 58.38 24.15 11.36 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.703 0.401 . . . . 20.0 111.554 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -89.64 157.39 18.04 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 120.742 0.306 . . . . 20.0 110.616 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -100.76 110.82 61.83 Favored Pre-proline 0 CA--C 1.558 1.284 0 CA-C-N 116.213 -0.449 . . . . 20.0 111.036 -176.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -84.09 0.54 9.2 Favored 'Trans proline' 0 CA--C 1.568 2.222 0 C-N-CA 123.051 2.5 . . . . 20.0 112.992 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 25.3 t -64.25 -30.2 71.26 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 112.114 0.413 . . . . 20.0 112.114 -170.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -74.01 -170.32 21.94 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 110.747 -0.941 . . . . 20.0 110.747 169.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -105.79 31.71 4.85 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 118.152 0.976 . . . . 20.0 110.228 175.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 35.6 m -56.63 -31.55 64.45 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.05 -0.523 . . . . 20.0 110.752 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt 59.86 69.38 0.71 Allowed 'General case' 0 N--CA 1.476 0.852 0 CA-C-O 121.252 0.549 . . . . 20.0 110.735 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.71 10.4 1.79 Allowed 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 115.475 -0.784 . . . . 20.0 110.316 169.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -142.7 155.74 44.94 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.181 -177.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -123.36 124.65 43.42 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.29 -0.414 . . . . 20.0 110.394 177.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.7 tt -94.39 107.26 19.23 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 116.313 -0.403 . . . . 20.0 110.445 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -79.92 154.89 75.49 Favored Pre-proline 0 CA--C 1.544 0.746 0 CA-C-N 116.21 -0.45 . . . . 20.0 110.866 -177.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -61.78 149.48 89.85 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 122.443 2.096 . . . . 20.0 112.334 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 47.9 t -89.53 126.13 35.48 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.272 -0.422 . . . . 20.0 110.054 171.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.49 -15.1 6.72 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 116.563 -0.289 . . . . 20.0 111.427 -176.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 46.6 m -66.61 -26.99 67.35 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 116.785 -0.189 . . . . 20.0 111.323 -177.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.5 pp -140.93 164.97 28.81 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 120.869 0.366 . . . . 20.0 111.003 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -83.9 118.89 24.28 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.141 -0.481 . . . . 20.0 111.502 -170.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 28.6 pt -141.78 169.64 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 CA-C-N 115.855 -0.611 . . . . 20.0 110.1 171.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -69.21 141.06 54.59 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 110.001 -0.37 . . . . 20.0 110.001 170.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -116.76 96.7 5.6 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.935 0.397 . . . . 20.0 110.691 -173.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -54.55 143.72 23.62 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.064 -0.516 . . . . 20.0 110.481 176.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.82 -10.74 51.09 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 112.279 0.474 . . . . 20.0 112.279 -171.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -85.04 -16.47 40.62 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.592 0.234 . . . . 20.0 111.019 174.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.19 -38.26 13.6 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 120.876 0.37 . . . . 20.0 110.194 169.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.86 -7.93 57.77 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 116.083 -0.508 . . . . 20.0 111.934 -170.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -154.43 169.88 22.7 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-O 120.892 0.377 . . . . 20.0 110.994 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -64.47 153.2 39.58 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 116.104 -0.498 . . . . 20.0 110.86 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.485 1.318 0 CA-C-N 116.09 -0.505 . . . . 20.0 111.172 178.665 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.154 0 O5'-C5'-C4' 114.126 2.804 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.682 0 O4'-C4'-C3' 108.584 2.984 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.386 0 O5'-C5'-C4' 114.14 2.814 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.543 0 O5'-C5'-C4' 115.206 3.576 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.052 0 P-O3'-C3' 123.248 2.956 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.763 0 P-O3'-C3' 123.495 3.162 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.628 0 O4'-C4'-C3' 109.595 3.995 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.875 0 P-O3'-C3' 123.538 3.198 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.31 0 C3'-C2'-C1' 97.293 -3.862 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.024 0 C5'-C4'-C3' 110.539 -2.774 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.703 0 P-O3'-C3' 123.633 3.277 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.359 0 P-O3'-C3' 122.873 2.645 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.718 0 O5'-C5'-C4' 114.209 2.864 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.568 0 P-O3'-C3' 123.746 3.371 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.633 0 O4'-C4'-C3' 108.56 2.96 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.288 0 O5'-C5'-C4' 114.237 2.884 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.044 0 O4'-C4'-C3' 109.397 3.797 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.613 0 O4'-C4'-C3' 108.875 3.275 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.328 0 C1'-O4'-C4' 106.055 -2.604 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.988 0 O4'-C4'-C3' 108.651 3.051 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.648 0 O5'-C5'-C4' 113.996 2.712 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.442 0 P-O3'-C3' 123.008 2.756 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.797 0 P-O3'-C3' 123.327 3.023 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.992 0 O4'-C4'-C3' 108.155 2.555 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.554 0 O5'-C5'-C4' 114.913 3.366 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.744 0 O5'-C5'-C4' 115.337 3.669 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.566 2 C3'-C2'-C1' 94.814 -5.633 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.498 0 O3'-P-O5' 99.538 -2.349 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.121 0 O5'-C5'-C4' 115.354 3.681 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.703 0 P-O3'-C3' 123.9 3.5 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.645 5.222 1 O5'-C5'-C4' 116.089 4.206 . . . . 20.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.051 0 P-O3'-C3' 124.225 3.77 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.043 0 O5'-C5'-C4' 114.658 3.184 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.46 0 P-O3'-C3' 123.29 2.992 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.38 0 P-O3'-C3' 123.161 2.884 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.581 0 O4'-C4'-C3' 108.684 3.084 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.574 0 O4'-C4'-C3' 108.601 3.001 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.268 0 P-O3'-C3' 122.892 2.66 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 703' ' ' ' ZN' . . . . . 0.988 'ZN ' ' SG ' ' A' ' 555' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.888 0 CA-C-O 120.913 0.387 . . . . 20.0 110.927 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -134.13 154.13 51.39 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 116.1 -0.5 . . . . 20.0 110.647 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -75.08 158.68 32.73 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 116.27 -0.423 . . . . 20.0 111.031 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.07 144.48 23.57 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 116.068 -0.515 . . . . 20.0 110.84 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 5.1 tpt -150.98 152.23 33.24 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.256 -0.429 . . . . 20.0 110.81 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.97 50.56 2.0 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 121.076 0.465 . . . . 20.0 110.538 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 15.7 m -97.99 173.29 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 CA-C-N 115.971 -0.559 . . . . 20.0 111.027 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -72.49 157.92 36.69 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 116.189 -0.46 . . . . 20.0 110.563 173.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -120.57 153.47 36.72 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 116.24 -0.436 . . . . 20.0 110.835 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 -95.3 27.36 3.33 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 116.189 -0.46 . . . . 20.0 111.126 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 45.9 p-10 -86.05 9.69 16.46 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 116.341 -0.39 . . . . 20.0 111.128 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 483' ' ' HIS . . . . . 0.409 ' HB3' HD21 ' A' ' 509' ' ' LEU . 56.5 p-80 -160.63 176.94 11.0 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.006 0.432 . . . . 20.0 111.379 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -136.36 159.34 42.07 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.518 -0.765 . . . . 20.0 109.802 169.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -100.56 119.75 39.0 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.85 0.357 . . . . 20.0 110.773 -176.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.5 tp -116.98 113.77 22.85 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.019 -0.537 . . . . 20.0 110.27 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 34.6 mt -87.63 123.49 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-O 120.921 0.391 . . . . 20.0 110.6 -178.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 38.8 t -138.64 129.45 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 115.878 -0.601 . . . . 20.0 110.24 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.41 37.17 21.91 Favored 'General case' 0 CA--C 1.566 1.563 0 CA-C-O 121.004 0.43 . . . . 20.0 111.213 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.38 2.99 88.44 Favored Glycine 0 CA--C 1.55 2.245 0 C-N-CA 121.458 -0.401 . . . . 20.0 112.881 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -112.06 137.21 50.41 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 116.873 0.337 . . . . 20.0 110.719 -178.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 95.4 t -81.62 121.5 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-O 120.661 0.267 . . . . 20.0 110.358 174.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -107.04 115.57 30.4 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.323 -0.399 . . . . 20.0 110.455 175.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -79.86 116.62 20.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 20.0 110.027 177.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 2.5 mt -110.23 124.78 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-N 116.393 -0.367 . . . . 20.0 110.753 -172.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.6 t -62.55 136.04 57.69 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.089 -0.505 . . . . 20.0 110.664 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 28.5 pt -68.69 -39.4 80.23 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 N-CA-C 111.726 0.269 . . . . 20.0 111.726 -176.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 47.9 t -61.23 -65.35 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 111.781 0.289 . . . . 20.0 111.781 -176.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 27.4 p -104.95 -2.95 23.92 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 112.475 0.546 . . . . 20.0 112.475 -169.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 59.49 35.75 22.86 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 111.919 0.341 . . . . 20.0 111.919 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 -79.02 130.39 35.48 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 110.079 -0.341 . . . . 20.0 110.079 169.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 20.3 p -92.32 144.04 25.79 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 116.42 -0.354 . . . . 20.0 111.145 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -135.82 140.04 43.92 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.007 -0.542 . . . . 20.0 110.898 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 86.8 t -78.4 -20.01 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 CA-C-N 115.946 -0.57 . . . . 20.0 110.944 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 68.1 m -133.59 136.02 44.62 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.52 -0.309 . . . . 20.0 111.053 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.12 -34.27 74.71 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 116.461 -0.336 . . . . 20.0 110.973 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 15.7 p -52.55 -40.7 62.83 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 120.575 0.226 . . . . 20.0 111.002 176.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 22.3 m -67.36 -40.87 85.82 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.562 -0.29 . . . . 20.0 111.085 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 483' ' ' HIS . 6.8 tp -61.69 -49.07 77.95 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 116.573 -0.285 . . . . 20.0 110.979 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -62.89 -44.01 97.26 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 120.551 0.215 . . . . 20.0 110.617 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -58.24 -41.25 83.76 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.38 -0.373 . . . . 20.0 110.96 174.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -71.26 -44.93 64.3 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-N 116.267 -0.424 . . . . 20.0 111.504 -177.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -60.51 -20.65 60.85 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 111.629 0.233 . . . . 20.0 111.629 -172.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -23.49 62.53 Favored 'General case' 0 CA--C 1.563 1.453 0 CA-C-O 120.566 0.222 . . . . 20.0 111.128 175.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 34.9 mt -77.24 -19.94 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.151 0 C-N-CA 122.457 0.303 . . . . 20.0 111.006 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -96.15 -41.34 8.76 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.679 0.276 . . . . 20.0 110.992 178.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 78.7 p -78.08 -34.96 49.95 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.49 -0.323 . . . . 20.0 111.441 -176.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 53.2 m95 50.6 34.26 9.39 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-O 121.318 0.58 . . . . 20.0 110.114 -169.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.13 -32.65 74.23 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.593 -0.731 . . . . 20.0 110.753 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -130.01 120.27 24.47 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.008 -0.542 . . . . 20.0 110.406 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -90.14 144.46 25.86 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.325 -0.398 . . . . 20.0 110.622 176.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -121.97 80.02 42.17 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 116.073 -0.512 . . . . 20.0 110.393 178.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.41 150.76 25.49 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.822 2.348 . . . . 20.0 112.728 -175.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 45.4 t -87.63 145.4 26.2 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.845 -0.616 . . . . 20.0 110.42 173.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -82.32 -33.03 29.14 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 120.605 0.24 . . . . 20.0 111.18 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -82.64 -24.07 33.96 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 116.416 -0.356 . . . . 20.0 111.671 -172.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.5 p -142.37 163.46 32.78 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 120.733 0.302 . . . . 20.0 110.73 175.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -81.06 30.29 0.33 Allowed 'General case' 0 CA--C 1.565 1.545 0 CA-C-O 120.829 0.347 . . . . 20.0 111.748 -174.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -88.77 147.37 24.48 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 116.467 -0.333 . . . . 20.0 110.864 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 14.5 t -128.66 139.18 52.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 CA-C-N 116.271 -0.422 . . . . 20.0 110.811 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -114.92 156.1 45.56 Favored Pre-proline 0 CA--C 1.547 0.835 0 CA-C-N 115.897 -0.592 . . . . 20.0 110.827 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -85.68 -1.21 8.9 Favored 'Trans proline' 0 CA--C 1.558 1.696 0 C-N-CA 123.039 2.493 . . . . 20.0 112.917 176.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 4.5 mp -136.31 148.91 48.18 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 120.744 0.307 . . . . 20.0 110.748 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.17 -42.56 88.76 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 116.312 -0.404 . . . . 20.0 111.026 175.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -54.47 -42.41 70.65 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.841 0.353 . . . . 20.0 110.702 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -68.19 -38.87 82.46 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.196 -0.456 . . . . 20.0 111.274 -172.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -69.51 -33.14 72.41 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 121.083 -0.247 . . . . 20.0 110.63 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 35.5 m -67.35 -57.65 6.23 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.459 0.171 . . . . 20.0 110.752 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -57.15 -36.12 70.36 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 120.713 0.292 . . . . 20.0 110.849 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -67.99 -46.4 71.43 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 116.562 -0.29 . . . . 20.0 111.135 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -67.75 -27.51 66.84 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 122.4 -0.188 . . . . 20.0 111.056 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 25.1 mt -65.14 -31.74 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-O 120.708 0.29 . . . . 20.0 110.4 170.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.87 -32.33 65.33 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 116.25 -0.432 . . . . 20.0 111.079 176.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -74.39 -41.57 60.75 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 120.743 0.306 . . . . 20.0 111.108 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 19.9 p -80.53 -18.76 47.48 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-N 116.426 -0.352 . . . . 20.0 111.425 -175.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 78.05 11.42 85.4 Favored Glycine 0 CA--C 1.542 1.772 0 C-N-CA 121.56 -0.352 . . . . 20.0 112.485 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -57.25 117.16 3.79 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 120.878 0.37 . . . . 20.0 110.959 -177.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -80.58 140.16 35.91 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.358 -0.383 . . . . 20.0 110.514 176.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 66.4 mtp85 -114.68 -53.86 2.62 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 116.026 -0.534 . . . . 20.0 111.082 -176.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -102.93 120.43 40.62 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.275 -0.42 . . . . 20.0 110.751 -173.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -105.85 131.88 52.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.316 -0.402 . . . . 20.0 110.543 177.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 552' ' ' CYS . . . . . 0.829 ' SG ' 'ZN ' ' A' ' 703' ' ' ' ZN' . 42.2 t -67.48 144.11 55.86 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.115 -0.493 . . . . 20.0 110.052 171.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 79.7 mt -101.2 -15.47 17.32 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 120.525 0.203 . . . . 20.0 111.35 -178.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.17 -49.11 20.51 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 116.715 -0.221 . . . . 20.0 111.134 177.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 28.3 p -120.12 -2.54 10.18 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 112.012 0.375 . . . . 20.0 112.012 -175.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 79.99 2.59 88.85 Favored Glycine 0 CA--C 1.556 2.596 0 C-N-CA 120.99 -0.624 . . . . 20.0 113.603 172.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -72.17 138.18 47.45 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 117.38 0.59 . . . . 20.0 110.975 -177.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 43.8 m -105.08 141.17 37.12 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 116.316 -0.402 . . . . 20.0 111.173 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -127.54 158.82 36.43 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 116.248 -0.433 . . . . 20.0 111.006 -175.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.4 tt -82.98 -25.7 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 116.252 -0.431 . . . . 20.0 111.686 -172.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 31.0 p30 -152.21 172.18 16.78 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 120.989 0.423 . . . . 20.0 111.26 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -68.51 -36.55 79.04 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.926 -0.579 . . . . 20.0 111.376 -175.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.4 mp0 -60.22 -45.15 94.2 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-O 120.709 0.29 . . . . 20.0 110.963 -176.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -68.4 -48.34 64.94 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.568 -0.287 . . . . 20.0 111.091 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -40.02 95.86 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 120.574 0.226 . . . . 20.0 110.775 -177.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 35.2 t -61.73 -49.59 75.8 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.719 0.295 . . . . 20.0 110.628 177.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 27.2 t -60.07 -39.81 87.34 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.32 -0.4 . . . . 20.0 110.945 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -63.4 -49.66 72.93 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 116.485 -0.325 . . . . 20.0 111.187 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 67.8 mt -65.95 -35.45 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 120.634 0.254 . . . . 20.0 110.674 -177.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -67.83 -46.94 70.4 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 116.489 -0.323 . . . . 20.0 111.123 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 30.5 p -78.01 -33.47 51.21 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 111.814 0.302 . . . . 20.0 111.814 -173.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 71.0 t -94.78 -48.58 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 111.486 0.18 . . . . 20.0 111.486 -172.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -100.15 -0.74 38.27 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 116.627 -0.26 . . . . 20.0 111.537 -173.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 37.8 m 55.7 35.62 25.63 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 122.601 0.361 . . . . 20.0 111.406 177.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -132.61 156.2 47.33 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 116.261 -0.427 . . . . 20.0 110.608 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -106.28 109.83 63.45 Favored Pre-proline 0 CA--C 1.551 0.994 0 CA-C-N 116.338 -0.392 . . . . 20.0 110.652 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.87 -13.17 24.17 Favored 'Trans proline' 0 CA--C 1.547 1.148 0 C-N-CA 122.519 2.146 . . . . 20.0 112.448 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 3.0 t -75.43 -13.47 60.39 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 116.555 -0.293 . . . . 20.0 110.944 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -81.9 -134.81 1.9 Allowed Glycine 0 CA--C 1.542 1.755 0 CA-C-N 116.445 -0.343 . . . . 20.0 112.316 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 -119.97 29.61 7.45 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 120.791 0.329 . . . . 20.0 111.401 -177.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 51.7 m -90.76 -40.36 11.87 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.436 -0.347 . . . . 20.0 111.102 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 59.35 72.62 0.52 Allowed 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 121.244 0.545 . . . . 20.0 110.882 -177.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 8.1 mt -105.51 20.43 18.92 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 115.678 -0.692 . . . . 20.0 111.365 -174.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -148.98 163.73 36.64 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 120.901 0.382 . . . . 20.0 111.102 -178.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -136.97 140.84 42.49 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.003 -0.544 . . . . 20.0 110.609 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.78 126.7 41.22 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 116.39 -0.368 . . . . 20.0 110.564 -179.291 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -106.97 150.23 39.55 Favored Pre-proline 0 N--CA 1.483 1.216 0 CA-C-N 116.454 -0.339 . . . . 20.0 110.822 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -66.11 156.86 62.61 Favored 'Trans proline' 0 CA--C 1.545 1.025 0 C-N-CA 122.599 2.199 . . . . 20.0 112.555 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 37.0 t -97.85 132.0 43.84 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.035 -0.53 . . . . 20.0 110.546 176.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -128.4 -12.23 5.04 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 116.338 -0.392 . . . . 20.0 111.61 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 36.3 m -68.77 -28.0 66.4 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 111.626 0.232 . . . . 20.0 111.626 -175.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.1 pp -139.86 164.2 30.61 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 120.897 0.379 . . . . 20.0 110.849 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.38 109.16 17.64 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 116.122 -0.49 . . . . 20.0 111.446 -171.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 25.0 pt -144.74 168.95 9.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 CA-C-N 115.78 -0.646 . . . . 20.0 109.906 169.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 595' ' ' ARG . . . . . 0.488 HH22 " H1'" ' E' ' 27' ' ' ' DG' . 17.2 ptt180 -76.39 141.01 41.59 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 110.064 -0.347 . . . . 20.0 110.064 174.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -123.7 115.16 20.96 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.01 0.433 . . . . 20.0 110.593 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -64.84 160.36 20.53 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.684 -0.689 . . . . 20.0 111.087 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -65.44 -12.47 52.78 Favored 'General case' 0 CA--C 1.561 1.387 0 CA-C-N 116.401 -0.363 . . . . 20.0 111.848 -177.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -84.31 -24.36 29.87 Favored 'General case' 0 CA--C 1.556 1.194 0 O-C-N 122.459 -0.15 . . . . 20.0 110.968 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -34.33 38.37 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 110.076 -0.342 . . . . 20.0 110.076 169.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 4.7 t -71.55 5.11 2.56 Favored 'General case' 0 CA--C 1.561 1.387 0 CA-C-N 116.001 -0.545 . . . . 20.0 111.665 -179.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -55.8 146.22 22.17 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-O 120.885 0.374 . . . . 20.0 111.008 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -63.13 120.73 12.03 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 116.309 -0.405 . . . . 20.0 110.678 -178.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 65.1 m . . . . . 0 N--CA 1.483 1.186 0 CA-C-N 116.143 -0.481 . . . . 20.0 111.03 -176.583 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.052 0 O5'-C5'-C4' 114.159 2.828 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.606 0 O4'-C4'-C3' 108.609 3.009 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.401 0 O5'-C5'-C4' 114.055 2.754 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.589 0 O5'-C5'-C4' 115.243 3.602 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.408 0 P-O3'-C3' 123.37 3.058 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.602 0 O5'-C5'-C4' 114.852 3.323 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.637 4.366 0 O5'-C5'-C4' 115.645 3.89 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.652 0 P-O3'-C3' 123.165 2.887 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.882 1 C3'-C2'-C1' 96.404 -4.497 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.843 0 C5'-C4'-C3' 109.828 -3.248 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.237 0 P-O3'-C3' 123.383 3.069 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.224 0 P-O3'-C3' 122.694 2.495 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.324 0 P-O3'-C3' 123.293 2.994 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.378 0 P-O3'-C3' 123.364 3.053 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.308 0 P-O3'-C3' 123.273 2.977 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.316 0 P-O3'-C3' 123.133 2.861 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.202 0 O4'-C4'-C3' 109.367 3.767 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.916 0 O4'-C4'-C3' 108.674 3.074 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.244 0 C1'-O4'-C4' 105.968 -2.666 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.644 0 C1'-O4'-C4' 105.816 -2.774 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.756 0 O5'-C5'-C4' 113.915 2.653 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.26 0 P-O3'-C3' 122.775 2.563 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.653 0 P-O3'-C3' 123.053 2.794 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.741 0 O5'-C5'-C4' 114.842 3.315 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 0 P-O3'-C3' 123.767 3.39 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.902 0 O4'-C4'-C3' 107.996 2.396 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 27' ' ' ' DG' . . . . . 0.488 " H1'" HH22 ' A' ' 595' ' ' ARG . . . . . . . . 0 C5'--C4' 1.54 3.588 2 C3'-C2'-C1' 95.632 -5.049 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.612 0 O3'-P-O5' 98.343 -2.977 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.54 0 O4'-C4'-C3' 109.306 3.706 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.683 0 O5'-C5'-C4' 114.11 2.793 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.701 0 C1'-O4'-C4' 104.184 -3.94 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.694 1 P-O3'-C3' 125.064 4.47 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.788 0 O5'-C5'-C4' 115.439 3.742 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.359 0 P-O3'-C3' 123.19 2.908 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.591 0 O4'-C4'-C3' 108.463 2.863 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.598 0 O4'-C4'-C3' 108.623 3.023 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.678 0 O4'-C4'-C3' 108.579 2.979 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.339 0 P-O3'-C3' 122.852 2.626 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 703' ' ' ' ZN' . . . . . 0.829 'ZN ' ' SG ' ' A' ' 552' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.784 0 CA-C-O 120.845 0.355 . . . . 20.0 110.76 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -138.68 155.19 48.47 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 116.198 -0.455 . . . . 20.0 110.748 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -71.92 153.96 41.52 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 116.312 -0.404 . . . . 20.0 110.923 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -68.33 144.11 54.93 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 116.103 -0.498 . . . . 20.0 110.163 175.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 43.7 ttp -80.91 129.74 34.69 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 120.839 0.352 . . . . 20.0 110.903 -175.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.56 49.91 1.69 Allowed 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 116.165 -0.471 . . . . 20.0 111.108 -177.222 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 27.4 m -132.29 158.78 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 CA-C-N 115.974 -0.557 . . . . 20.0 110.482 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -82.19 168.72 17.38 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 120.858 0.361 . . . . 20.0 111.106 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -133.64 172.14 13.16 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 116.039 -0.528 . . . . 20.0 110.765 -177.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -78.94 42.92 0.48 Allowed 'General case' 0 CA--C 1.56 1.341 0 CA-C-O 121.012 0.435 . . . . 20.0 111.288 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 482' ' ' ASP . . . . . 0.432 ' CG ' HH12 ' A' ' 510' ' ' ARG . 10.3 p30 -89.56 8.12 32.86 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 116.146 -0.479 . . . . 20.0 110.505 174.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 483' ' ' HIS . . . . . 0.409 ' HB3' HD21 ' A' ' 509' ' ' LEU . 51.6 p-80 -161.31 176.07 11.59 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.879 -0.601 . . . . 20.0 110.077 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -134.88 155.49 50.59 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.37 -0.377 . . . . 20.0 110.246 169.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -108.82 122.86 48.06 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.008 0.432 . . . . 20.0 110.653 -174.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 14.6 tp -118.31 117.08 28.12 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.747 -0.66 . . . . 20.0 110.233 -178.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 27.9 mt -88.55 122.9 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.946 0.403 . . . . 20.0 110.589 -178.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 47.4 t -137.67 128.31 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 115.75 -0.659 . . . . 20.0 110.032 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.17 36.65 19.75 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-O 120.955 0.407 . . . . 20.0 111.217 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 80.26 -0.74 83.45 Favored Glycine 0 CA--C 1.55 2.246 0 CA-C-N 116.415 -0.357 . . . . 20.0 112.95 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -105.88 134.07 49.6 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.477 0.311 . . . . 20.0 110.757 -178.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 84.0 t -80.95 122.83 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 110.23 -0.285 . . . . 20.0 110.23 175.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -110.4 114.03 27.16 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.392 -0.367 . . . . 20.0 110.541 177.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -79.79 120.15 23.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.297 -0.41 . . . . 20.0 110.23 177.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.3 mt -113.75 130.94 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.353 -0.385 . . . . 20.0 110.908 -172.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 8.9 t -67.04 136.85 55.88 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.723 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 21.4 pt -68.41 -39.83 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 CA-C-N 116.665 -0.243 . . . . 20.0 111.639 -177.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 52.4 t -61.47 -64.46 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 111.813 0.301 . . . . 20.0 111.813 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 29.7 p -105.04 -4.76 21.58 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 112.726 0.639 . . . . 20.0 112.726 -169.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 58.66 38.48 25.08 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 122.563 0.345 . . . . 20.0 111.796 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -81.12 133.18 35.42 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 109.991 -0.374 . . . . 20.0 109.991 169.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 31.0 p -95.25 141.77 28.46 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 120.881 0.372 . . . . 20.0 111.293 -175.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -134.85 137.06 42.92 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.782 -0.645 . . . . 20.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 72.2 t -76.81 -16.82 14.76 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.853 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 56.7 m -133.9 136.35 44.24 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.447 -0.342 . . . . 20.0 111.047 -177.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 20.5 mt -58.7 -33.41 70.14 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.311 -0.404 . . . . 20.0 110.751 174.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 29.6 p -53.66 -45.89 70.4 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-O 120.639 0.257 . . . . 20.0 110.967 175.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 53.0 m -66.25 -41.83 89.42 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.54 -0.3 . . . . 20.0 110.799 178.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 483' ' ' HIS . 7.6 tp -60.49 -47.63 85.28 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.514 -0.312 . . . . 20.0 110.84 179.153 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 510' ' ' ARG . . . . . 0.432 HH12 ' CG ' ' A' ' 482' ' ' ASP . 0.0 OUTLIER -62.52 -48.51 79.22 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.381 0.272 . . . . 20.0 110.752 179.056 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -54.38 -38.73 66.49 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 116.21 -0.45 . . . . 20.0 110.933 175.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -75.03 -45.36 42.23 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 116.293 -0.412 . . . . 20.0 111.441 -178.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -61.28 -23.54 65.76 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 120.546 0.212 . . . . 20.0 111.459 -172.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.64 -25.46 62.75 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-N 116.654 -0.248 . . . . 20.0 111.069 174.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 30.8 mt -76.1 -19.02 15.3 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 C-N-CA 122.474 0.31 . . . . 20.0 111.074 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -95.95 -41.64 8.68 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.633 0.254 . . . . 20.0 110.945 177.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 87.7 p -74.93 -36.73 62.14 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.588 -0.278 . . . . 20.0 111.282 -177.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 71.2 m95 49.43 34.29 6.48 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 121.293 0.568 . . . . 20.0 110.38 -169.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -73.99 -30.66 62.59 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.833 -0.621 . . . . 20.0 110.752 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -128.83 117.03 20.37 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.187 -0.46 . . . . 20.0 110.443 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -96.29 151.29 19.66 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.224 -0.444 . . . . 20.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -127.82 80.83 71.41 Favored Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 116.016 -0.538 . . . . 20.0 110.592 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -69.65 145.81 58.94 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.756 2.304 . . . . 20.0 112.584 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 42.8 t -80.54 144.27 32.6 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 115.871 -0.604 . . . . 20.0 110.495 172.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -78.7 -35.15 45.38 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-O 120.642 0.258 . . . . 20.0 111.092 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -81.61 -26.01 35.24 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-N 116.272 -0.422 . . . . 20.0 111.762 -172.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 15.6 p -141.88 167.51 21.97 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.764 0.316 . . . . 20.0 110.968 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.29 11.8 2.71 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 111.995 0.368 . . . . 20.0 111.995 -173.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -71.82 146.52 47.94 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 120.781 0.324 . . . . 20.0 110.989 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 21.8 t -125.89 138.63 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 CA-C-N 116.048 -0.524 . . . . 20.0 110.627 175.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -111.03 148.17 38.09 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 116.014 -0.539 . . . . 20.0 110.813 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -82.44 -3.87 11.51 Favored 'Trans proline' 0 CA--C 1.557 1.649 0 C-N-CA 122.98 2.453 . . . . 20.0 112.522 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.3 mp -130.94 146.7 52.43 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.653 0.381 . . . . 20.0 110.289 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -70.57 -42.14 71.49 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 116.629 -0.259 . . . . 20.0 111.338 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.85 -37.71 88.4 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 121.249 -0.18 . . . . 20.0 110.801 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -59.89 -38.49 82.4 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.486 0.184 . . . . 20.0 110.841 176.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 537' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -57.48 -52.74 64.16 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.891 0.377 . . . . 20.0 110.21 173.217 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 538' ' ' THR . . . . . 0.48 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 98.6 m -59.93 -53.9 52.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.822 -0.626 . . . . 20.0 111.301 -174.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -56.5 -40.59 75.24 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 120.704 0.288 . . . . 20.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -68.92 -44.38 73.22 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 116.509 -0.314 . . . . 20.0 111.227 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -67.08 -30.99 71.18 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.555 0.217 . . . . 20.0 110.897 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 51.6 mt -62.75 -43.87 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 110.254 -0.276 . . . . 20.0 110.254 170.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -62.74 -30.95 71.82 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 116.557 -0.292 . . . . 20.0 110.977 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -72.48 -28.55 62.98 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 120.675 0.274 . . . . 20.0 111.096 175.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 18.0 m -89.75 -36.61 15.08 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.4 -0.364 . . . . 20.0 111.202 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 92.45 11.74 59.2 Favored Glycine 0 CA--C 1.546 1.988 0 CA-C-N 116.441 -0.345 . . . . 20.0 112.607 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -60.13 115.58 3.58 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 120.918 0.39 . . . . 20.0 111.018 -177.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 37.0 mmt-85 -89.45 80.81 6.67 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 116.319 -0.401 . . . . 20.0 110.59 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -78.14 -32.24 50.25 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 116.119 -0.491 . . . . 20.0 111.766 -173.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -90.31 96.97 10.91 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.815 0.34 . . . . 20.0 110.622 -174.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -95.1 131.5 41.03 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.926 0.393 . . . . 20.0 111.019 -178.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 43.7 t -70.3 149.35 47.48 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.044 -0.525 . . . . 20.0 110.198 171.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 96.2 mt -106.54 -21.1 13.17 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.605 -0.27 . . . . 20.0 111.269 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -74.99 -50.01 17.99 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-N 116.642 -0.254 . . . . 20.0 111.155 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 28.5 p -117.56 -1.47 11.66 Favored 'General case' 0 CA--C 1.562 1.431 0 N-CA-C 111.878 0.325 . . . . 20.0 111.878 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 82.96 -8.76 62.1 Favored Glycine 0 CA--C 1.557 2.689 0 C-N-CA 121.113 -0.565 . . . . 20.0 113.574 171.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -65.07 140.44 58.83 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 117.399 0.6 . . . . 20.0 111.175 -175.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 25.3 m -104.19 141.4 36.32 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 120.911 0.386 . . . . 20.0 111.234 -176.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -129.72 162.1 29.15 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 116.017 -0.538 . . . . 20.0 110.816 -177.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 8.6 tt -86.42 -26.84 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 CA-C-N 116.268 -0.424 . . . . 20.0 112.11 -169.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 56.0 p30 -153.49 171.46 18.66 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-O 121.101 0.477 . . . . 20.0 111.426 -175.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -60.98 -40.57 93.95 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.876 -0.602 . . . . 20.0 111.101 -177.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.5 mp0 -59.31 -44.53 92.56 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 116.502 -0.317 . . . . 20.0 110.929 -175.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -71.29 -47.85 54.3 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.594 -0.275 . . . . 20.0 111.15 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.5 -39.64 92.09 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-O 120.463 0.173 . . . . 20.0 110.954 -177.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 48.5 t -63.82 -48.23 77.62 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 120.674 0.273 . . . . 20.0 110.594 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 40.7 t -57.95 -40.74 81.27 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.372 -0.376 . . . . 20.0 110.865 176.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -64.81 -49.49 70.43 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 116.477 -0.329 . . . . 20.0 111.116 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 84.8 mt -62.41 -39.32 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-O 120.613 0.244 . . . . 20.0 110.679 -178.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -69.23 -39.5 78.49 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.514 -0.312 . . . . 20.0 111.384 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 30.2 p -83.45 -33.0 25.74 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 111.67 0.248 . . . . 20.0 111.67 -175.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 72.3 t -97.05 -48.61 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 CA-C-O 120.433 0.158 . . . . 20.0 111.357 -173.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -100.03 -6.61 26.17 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 116.687 -0.233 . . . . 20.0 111.527 -173.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 89.3 p 51.66 42.87 30.05 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 122.935 0.494 . . . . 20.0 111.454 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -133.45 165.15 25.54 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.174 -0.466 . . . . 20.0 111.15 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -96.59 120.08 62.74 Favored Pre-proline 0 CA--C 1.556 1.181 0 CA-C-N 115.899 -0.591 . . . . 20.0 110.447 177.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -55.81 -28.09 65.53 Favored 'Trans proline' 0 CA--C 1.55 1.308 0 C-N-CA 122.653 2.235 . . . . 20.0 112.746 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 4.5 t -82.95 10.4 7.98 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 122.581 0.353 . . . . 20.0 111.412 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -80.15 -158.5 16.98 Favored Glycine 0 CA--C 1.545 1.907 0 CA-C-N 116.416 -0.356 . . . . 20.0 112.641 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -120.24 29.78 7.31 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-O 120.719 0.295 . . . . 20.0 111.301 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 40.6 m -104.39 0.72 29.36 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 112.161 0.43 . . . . 20.0 112.161 -171.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 52.68 87.56 0.03 OUTLIER 'General case' 0 N--CA 1.507 2.382 0 CA-C-O 121.02 0.438 . . . . 20.0 111.099 -172.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 83.1 mt -120.11 -24.7 5.93 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 112.494 0.553 . . . . 20.0 112.494 -171.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -143.6 156.26 44.53 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.054 0.454 . . . . 20.0 111.428 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -144.56 133.67 22.81 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.712 -0.676 . . . . 20.0 110.19 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.5 tt -102.55 110.16 22.01 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 120.848 0.356 . . . . 20.0 110.546 -175.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -81.65 155.13 71.16 Favored Pre-proline 0 CA--C 1.555 1.137 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.815 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -56.5 148.05 65.48 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 122.596 2.198 . . . . 20.0 112.549 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 46.3 t -85.07 119.62 25.67 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.308 -0.406 . . . . 20.0 110.288 174.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -111.35 -20.02 12.41 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 116.562 -0.29 . . . . 20.0 111.505 -175.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 55.3 m -69.48 -26.62 64.65 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 111.811 0.301 . . . . 20.0 111.811 -173.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.7 pp -146.31 167.89 22.45 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-O 120.839 0.352 . . . . 20.0 111.026 -178.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.89 116.29 22.7 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.075 -0.511 . . . . 20.0 111.539 -170.322 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 19.9 pt -142.4 167.05 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 CA-C-N 115.871 -0.604 . . . . 20.0 110.366 171.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -74.17 137.56 43.22 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 110.086 -0.339 . . . . 20.0 110.086 170.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -109.61 96.1 6.05 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.191 -0.459 . . . . 20.0 110.754 -171.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -63.44 154.06 33.38 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.028 -0.533 . . . . 20.0 111.15 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.01 -14.04 60.95 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 116.139 -0.482 . . . . 20.0 111.989 -174.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -80.38 -25.23 39.24 Favored 'General case' 0 CA--C 1.552 1.028 0 O-C-N 122.402 -0.186 . . . . 20.0 111.167 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.19 -35.03 56.13 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 109.852 -0.425 . . . . 20.0 109.852 169.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 2.4 t -72.79 -0.57 13.68 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-N 115.769 -0.65 . . . . 20.0 111.494 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -67.18 162.29 22.83 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-O 121.039 0.447 . . . . 20.0 110.974 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -65.29 151.42 46.25 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.103 -0.499 . . . . 20.0 111.51 -175.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 64.8 m . . . . . 0 N--CA 1.478 0.958 0 CA-C-N 115.834 -0.621 . . . . 20.0 110.822 177.051 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.198 0 O4'-C4'-C3' 108.389 2.789 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.663 0 O4'-C4'-C3' 108.558 2.958 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.625 0 O5'-C5'-C4' 113.947 2.676 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.769 0 O5'-C5'-C4' 115.243 3.602 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.223 0 O4'-C4'-C3' 109.3 3.7 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.619 0 P-O3'-C3' 123.681 3.318 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.643 0 P-O3'-C3' 124.065 3.637 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.892 0 P-O3'-C3' 123.436 3.114 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.055 2 C3'-C2'-C1' 96.144 -4.683 . . . . 20.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.154 0 C5'-C4'-C3' 109.903 -3.198 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.372 0 P-O3'-C3' 123.426 3.105 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.234 0 P-O3'-C3' 122.62 2.434 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.627 0 O4'-C4'-C3' 108.519 2.919 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.405 0 O4'-C4'-C3' 108.755 3.155 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.339 0 O4'-C4'-C3' 108.442 2.842 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.724 0 O5'-C5'-C4' 114.284 2.917 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.709 0 P-O3'-C3' 123.014 2.762 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.61 0 O4'-C4'-C3' 109.187 3.587 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.264 0 P-O3'-C3' 122.749 2.541 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.656 0 C1'-O4'-C4' 105.985 -2.654 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.771 0 O4'-C4'-C3' 108.346 2.746 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.185 0 P-O3'-C3' 122.78 2.567 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.485 0 P-O3'-C3' 123.413 3.094 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.244 0 O5'-C5'-C4' 114.655 3.182 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.497 0 O5'-C5'-C4' 114.699 3.213 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.687 0 O5'-C5'-C4' 115.434 3.738 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.592 2 C3'-C2'-C1' 94.907 -5.566 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.656 0 O3'-P-O5' 99.628 -2.301 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.509 2 O5'-C5'-C4' 116.438 4.455 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.79 0 P-O3'-C3' 123.366 3.055 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.325 0 O5'-C5'-C4' 114.615 3.153 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.134 0 P-O3'-C3' 124.12 3.683 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.854 0 P-O3'-C3' 123.379 3.066 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.483 0 O4'-C4'-C3' 108.566 2.966 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.569 0 P-O3'-C3' 123.15 2.875 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.586 0 O4'-C4'-C3' 108.583 2.983 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.834 0 O4'-C4'-C3' 108.633 3.033 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.31 0 P-O3'-C3' 122.881 2.651 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.867 0 CA-C-O 120.897 0.379 . . . . 20.0 110.951 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -75.73 152.42 37.44 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.853 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -134.16 156.97 47.39 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 116.198 -0.455 . . . . 20.0 110.796 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.5 79.79 5.94 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.102 -0.499 . . . . 20.0 110.331 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 77.5 mtm -55.49 135.66 50.44 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 115.751 -0.659 . . . . 20.0 111.034 -174.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -93.39 69.27 4.24 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.087 -0.506 . . . . 20.0 109.799 173.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.08 139.79 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-N 115.941 -0.572 . . . . 20.0 111.548 -169.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -78.69 158.5 28.33 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.735 -0.666 . . . . 20.0 110.322 170.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -120.41 158.81 26.37 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 116.269 -0.423 . . . . 20.0 111.065 -176.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -94.21 11.69 29.3 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 116.123 -0.49 . . . . 20.0 111.296 -178.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 29.1 p30 -82.41 8.07 12.48 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-O 120.743 0.306 . . . . 20.0 111.183 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 483' ' ' HIS . . . . . 0.453 ' HB3' HD21 ' A' ' 509' ' ' LEU . 55.6 p-80 -161.15 178.55 9.18 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 116.432 -0.349 . . . . 20.0 110.635 177.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -138.5 157.73 45.61 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.966 -0.561 . . . . 20.0 110.299 170.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -101.13 136.19 41.39 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.329 -0.396 . . . . 20.0 110.699 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.7 tp -133.8 116.19 15.41 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.034 -0.53 . . . . 20.0 110.28 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 23.3 mt -85.74 123.43 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 120.944 0.402 . . . . 20.0 110.542 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.86 125.35 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 115.804 -0.635 . . . . 20.0 110.109 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 39.0 t0 50.66 39.37 21.47 Favored 'General case' 0 CA--C 1.565 1.538 0 CA-C-O 120.991 0.424 . . . . 20.0 111.03 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.43 -25.84 7.74 Favored Glycine 0 CA--C 1.546 2.029 0 CA-C-N 116.202 -0.454 . . . . 20.0 112.854 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 58.0 mtm-85 -82.62 134.37 35.17 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.759 0.279 . . . . 20.0 111.086 -177.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 63.2 t -80.07 117.95 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 110.094 -0.336 . . . . 20.0 110.094 170.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -100.37 156.45 17.24 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.158 -0.474 . . . . 20.0 110.226 173.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -121.18 124.62 45.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 20.0 110.099 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 5.6 mt -119.25 128.3 75.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-O 120.85 0.357 . . . . 20.0 110.988 -170.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 4.1 t -67.31 139.07 57.25 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.671 178.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 37.1 pt -69.13 -39.98 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 111.724 0.268 . . . . 20.0 111.724 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 45.6 t -60.89 -63.67 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 N-CA-C 111.798 0.296 . . . . 20.0 111.798 -175.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.4 p -105.09 -5.56 20.72 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 112.315 0.487 . . . . 20.0 112.315 -169.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 60.8 mttp 57.51 36.27 26.75 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 122.571 0.349 . . . . 20.0 111.758 -177.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -77.53 133.33 38.55 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 109.809 -0.441 . . . . 20.0 109.809 169.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 28.1 p -94.7 147.41 23.35 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.95 0.405 . . . . 20.0 111.24 -176.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -137.78 138.57 39.36 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.667 -0.697 . . . . 20.0 110.889 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 64.5 t -79.67 -16.94 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 116.046 -0.525 . . . . 20.0 110.927 177.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 75.7 m -135.36 138.4 43.31 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.447 -0.342 . . . . 20.0 110.982 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 17.2 mt -58.31 -35.3 71.66 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.421 -0.354 . . . . 20.0 110.646 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 36.6 p -51.29 -43.59 61.68 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 116.515 -0.311 . . . . 20.0 111.084 177.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 34.6 m -66.78 -40.54 88.21 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.427 -0.351 . . . . 20.0 110.954 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.453 HD21 ' HB3' ' A' ' 483' ' ' HIS . 7.8 tp -61.68 -48.16 82.07 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 116.497 -0.32 . . . . 20.0 110.93 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -47.17 82.41 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 120.683 0.278 . . . . 20.0 110.45 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -55.18 -38.93 68.97 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.058 -0.519 . . . . 20.0 110.966 174.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -74.96 -46.61 34.29 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-N 116.201 -0.454 . . . . 20.0 111.53 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -62.08 -23.28 66.41 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 122.41 -0.181 . . . . 20.0 111.42 -172.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -22.1 60.42 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-N 116.772 -0.194 . . . . 20.0 111.08 174.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 28.6 mt -78.09 -20.57 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 122.523 0.329 . . . . 20.0 111.085 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -96.61 -43.83 7.41 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.686 0.279 . . . . 20.0 111.007 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 81.6 p -79.53 -34.38 41.17 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.399 -0.364 . . . . 20.0 111.3 -176.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 58.6 m95 51.03 36.32 14.97 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 121.2 0.524 . . . . 20.0 110.8 -172.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -68.4 -29.78 68.54 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 115.826 -0.625 . . . . 20.0 111.22 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -127.57 131.68 49.95 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 116.39 -0.368 . . . . 20.0 110.444 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -98.15 143.28 28.84 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.194 -0.457 . . . . 20.0 110.701 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -124.09 79.88 58.43 Favored Pre-proline 0 CA--C 1.549 0.918 0 CA-C-N 116.067 -0.515 . . . . 20.0 110.135 172.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -79.33 154.11 24.55 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.849 2.366 . . . . 20.0 112.645 -174.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 46.9 t -92.64 143.15 26.6 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 115.814 -0.63 . . . . 20.0 110.684 177.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -76.81 -35.01 57.88 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 120.924 0.392 . . . . 20.0 110.749 176.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -80.77 -27.71 36.65 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 115.739 -0.664 . . . . 20.0 111.62 -170.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 18.8 p -141.78 162.47 35.41 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 120.692 0.282 . . . . 20.0 110.706 176.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -79.8 31.68 0.25 Allowed 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 120.736 0.303 . . . . 20.0 111.596 -174.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -92.83 152.98 19.13 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 120.766 0.317 . . . . 20.0 110.979 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 10.9 t -129.27 135.47 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 CA-C-N 115.956 -0.566 . . . . 20.0 110.611 173.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -105.65 153.6 39.8 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 116.116 -0.493 . . . . 20.0 110.745 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -85.41 -4.55 9.34 Favored 'Trans proline' 0 CA--C 1.552 1.392 0 C-N-CA 122.961 2.441 . . . . 20.0 112.623 175.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.7 mp -130.82 143.65 50.89 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.703 0.401 . . . . 20.0 110.155 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -70.82 -42.45 70.23 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 120.588 0.232 . . . . 20.0 111.189 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.3 -34.56 76.83 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.58 0.229 . . . . 20.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -63.95 -37.95 89.29 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.719 -0.219 . . . . 20.0 110.535 175.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 537' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -58.61 -51.31 70.47 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.952 0.406 . . . . 20.0 110.082 173.253 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 538' ' ' THR . . . . . 0.467 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 54.1 m -61.54 -56.04 24.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.833 -0.621 . . . . 20.0 111.193 -174.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -59.71 -36.88 77.44 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 116.799 -0.182 . . . . 20.0 110.91 -178.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -65.69 -46.86 77.44 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 120.708 0.29 . . . . 20.0 111.019 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -67.41 -30.38 70.13 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-O 120.62 0.248 . . . . 20.0 111.021 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 33.3 mt -63.35 -43.39 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 110.023 -0.362 . . . . 20.0 110.023 169.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -64.49 -31.13 72.21 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 116.289 -0.414 . . . . 20.0 111.087 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -68.88 -22.15 64.2 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 116.63 -0.259 . . . . 20.0 111.135 175.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 22.8 m -99.34 -30.94 11.93 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 116.489 -0.323 . . . . 20.0 111.101 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 83.81 17.06 66.45 Favored Glycine 0 CA--C 1.541 1.685 0 C-N-CA 121.528 -0.367 . . . . 20.0 112.378 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -58.5 123.11 15.11 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.881 0.372 . . . . 20.0 110.806 -176.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 44.4 mmt-85 -88.73 116.6 27.11 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.258 -0.428 . . . . 20.0 110.232 174.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -113.24 -32.35 6.32 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 116.101 -0.5 . . . . 20.0 111.194 -173.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -93.53 90.02 6.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.994 0.426 . . . . 20.0 110.414 -176.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -87.42 130.98 34.46 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.811 -177.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 45.9 t -76.14 154.0 35.78 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 116.295 -0.411 . . . . 20.0 110.078 171.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 83.8 mt -115.02 -20.03 10.66 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.528 -0.306 . . . . 20.0 111.298 -176.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.21 -50.1 17.27 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-O 120.522 0.201 . . . . 20.0 111.074 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 29.4 p -120.1 -9.56 9.57 Favored 'General case' 0 CA--C 1.564 1.502 0 N-CA-C 111.845 0.313 . . . . 20.0 111.845 -177.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 96.57 -12.76 66.07 Favored Glycine 0 CA--C 1.557 2.675 0 C-N-CA 121.148 -0.549 . . . . 20.0 113.499 171.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -56.11 127.84 32.58 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-N 117.189 0.494 . . . . 20.0 111.326 -176.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 68.6 m -104.69 142.77 34.1 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 120.78 0.324 . . . . 20.0 111.291 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -130.25 163.25 27.16 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.057 0.456 . . . . 20.0 111.428 -174.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 2.6 tt -82.89 -24.1 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 CA-C-N 115.98 -0.555 . . . . 20.0 111.794 -172.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 55.7 p30 -153.9 173.0 16.51 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-O 121.128 0.489 . . . . 20.0 111.507 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -62.91 -40.29 97.14 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.741 -0.663 . . . . 20.0 111.206 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -57.32 -45.47 84.2 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.356 -0.384 . . . . 20.0 111.022 -174.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -69.97 -45.36 67.55 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.611 -0.268 . . . . 20.0 110.963 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 565' ' ' MET . . . . . 0.456 ' SD ' HD12 ' A' ' 569' ' ' ILE . 12.5 tmm? -57.46 -50.97 71.3 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-O 120.577 0.227 . . . . 20.0 111.186 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 48.0 t -64.38 -43.99 92.74 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.674 -0.239 . . . . 20.0 110.777 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 34.1 t -57.72 -46.13 84.83 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.629 0.252 . . . . 20.0 110.806 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -61.34 -46.41 90.37 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.479 -0.328 . . . . 20.0 111.201 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 569' ' ' ILE . . . . . 0.456 HD12 ' SD ' ' A' ' 565' ' ' MET . 47.8 mt -62.64 -40.92 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-N 116.877 -0.147 . . . . 20.0 110.728 -178.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -66.14 -44.05 85.27 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 120.51 0.195 . . . . 20.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 68.5 m -75.63 -36.58 60.19 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.649 -0.251 . . . . 20.0 111.638 -174.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 77.6 t -96.92 -50.11 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 N-CA-C 111.487 0.18 . . . . 20.0 111.487 -171.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -100.19 -21.4 15.54 Favored 'General case' 0 CA--C 1.557 1.236 0 CA-C-N 116.607 -0.269 . . . . 20.0 111.604 -173.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 34.0 m 55.06 41.97 31.3 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 122.884 0.473 . . . . 20.0 111.339 -177.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -117.02 175.25 5.67 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 116.161 -0.472 . . . . 20.0 111.041 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -111.14 111.32 55.92 Favored Pre-proline 0 CA--C 1.563 1.47 0 CA-C-N 116.257 -0.428 . . . . 20.0 111.355 -172.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -86.99 0.35 7.67 Favored 'Trans proline' 0 CA--C 1.565 2.049 0 C-N-CA 123.326 2.684 . . . . 20.0 113.35 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 37.6 t -54.55 -30.11 53.08 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 112.418 0.525 . . . . 20.0 112.418 -169.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -124.27 -169.24 13.04 Favored Glycine 0 N--CA 1.48 1.581 0 N-CA-C 111.048 -0.821 . . . . 20.0 111.048 171.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -75.48 74.78 2.53 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 117.411 0.606 . . . . 20.0 110.712 177.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 68.2 m -82.86 0.6 43.36 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 115.975 -0.557 . . . . 20.0 111.145 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt 62.88 48.23 4.1 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.067 0.461 . . . . 20.0 110.864 -173.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 48.1 mt -116.72 -30.0 5.91 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 115.831 -0.622 . . . . 20.0 111.355 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -143.09 155.28 44.57 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.943 0.402 . . . . 20.0 111.001 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -134.73 129.21 34.34 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.964 -0.562 . . . . 20.0 110.153 178.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.5 tt -97.36 107.89 20.5 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.426 -0.352 . . . . 20.0 110.481 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -79.95 157.36 73.95 Favored Pre-proline 0 CA--C 1.552 1.02 0 CA-C-N 116.334 -0.394 . . . . 20.0 110.906 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -59.5 151.73 66.86 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.477 2.118 . . . . 20.0 112.045 177.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 47.3 t -75.95 117.05 17.27 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.68 0.276 . . . . 20.0 110.39 174.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -102.39 -28.94 11.93 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.036 -0.529 . . . . 20.0 111.336 -174.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 27.0 p -64.75 -28.12 69.36 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 111.782 0.29 . . . . 20.0 111.782 -173.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.4 pp -149.8 166.39 29.6 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 120.95 0.405 . . . . 20.0 111.256 -176.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.34 122.43 31.85 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.044 -0.525 . . . . 20.0 111.397 -172.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 29.0 pt -142.45 172.1 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-N 115.7 -0.682 . . . . 20.0 109.94 173.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 595' ' ' ARG . . . . . 0.416 HH22 " H1'" ' E' ' 27' ' ' ' DG' . 21.6 ptt180 -68.91 133.65 48.51 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.81 -0.441 . . . . 20.0 109.81 169.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -109.03 97.1 6.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.002 0.43 . . . . 20.0 110.38 -175.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -53.66 149.17 8.61 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.748 -0.66 . . . . 20.0 110.826 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -60.05 -19.38 52.57 Favored 'General case' 0 CA--C 1.557 1.222 0 N-CA-C 112.175 0.435 . . . . 20.0 112.175 -174.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -76.86 -20.4 56.34 Favored 'General case' 0 CA--C 1.555 1.153 0 O-C-N 122.326 -0.233 . . . . 20.0 111.031 176.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.15 -32.95 16.42 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-O 120.799 0.333 . . . . 20.0 110.514 169.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 1.7 t -80.25 -13.63 59.05 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 116.245 -0.434 . . . . 20.0 112.047 -169.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -133.7 135.93 44.36 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 120.844 0.354 . . . . 20.0 110.96 -176.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -139.05 139.44 37.78 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.116 -0.493 . . . . 20.0 110.812 178.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 90.8 p . . . . . 0 N--CA 1.495 1.8 0 C-N-CA 123.1 0.56 . . . . 20.0 111.624 179.12 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.192 0 O5'-C5'-C4' 114.095 2.782 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.509 0 O5'-C5'-C4' 114.432 3.023 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.43 0 C1'-O4'-C4' 105.323 -3.126 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.976 2 O5'-C5'-C4' 116.492 4.494 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.369 0 O5'-C5'-C4' 114.613 3.152 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.361 0 O5'-C5'-C4' 114.355 2.968 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.6 0 P-O3'-C3' 123.709 3.341 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.618 0 O4'-C4'-C3' 109.027 3.427 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.953 0 O5'-C5'-C4' 115.561 3.829 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.326 0 P-O3'-C3' 122.983 2.736 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.382 0 P-O3'-C3' 123.287 2.989 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.36 0 O4'-C4'-C3' 108.593 2.993 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.382 0 P-O3'-C3' 122.848 2.623 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.239 0 P-O3'-C3' 124.217 3.764 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.411 0 O4'-C4'-C3' 108.399 2.799 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.453 0 P-O3'-C3' 122.772 2.56 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.961 0 P-O3'-C3' 122.794 2.578 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.054 0 P-O3'-C3' 123.63 3.275 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.36 0 C1'-O4'-C4' 105.918 -2.702 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.697 0 C1'-O4'-C4' 105.698 -2.858 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.683 0 O5'-C5'-C4' 114.211 2.865 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.477 0 P-O3'-C3' 122.977 2.731 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.782 0 P-O3'-C3' 123.049 2.791 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.03 0 O5'-C5'-C4' 114.354 2.967 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.143 0 O4'-C4'-C3' 108.774 3.174 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.056 0 O5'-C5'-C4' 114.262 2.901 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 27' ' ' ' DG' . . . . . 0.416 " H1'" HH22 ' A' ' 595' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 3.056 2 C3'-C2'-C1' 94.908 -5.566 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.409 -1.707 0 C4'-C3'-O3' 105.112 -2.358 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.575 -2.663 0 O5'-C5'-C4' 115.132 3.523 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.286 0 O4'-C4'-C3' 108.06 2.46 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.639 2.689 0 O4'-C4'-C3' 108.651 3.051 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.073 0 P-O3'-C3' 124.161 3.717 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.774 0 O5'-C5'-C4' 114.808 3.292 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.484 0 P-O3'-C3' 123.049 2.791 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.427 0 P-O3'-C3' 123.147 2.872 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.652 0 O4'-C4'-C3' 108.518 2.918 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.623 0 O4'-C4'-C3' 108.495 2.895 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 0 P-O3'-C3' 122.803 2.586 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.956 0 CA-C-O 120.776 0.322 . . . . 20.0 110.949 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -134.38 154.88 51.11 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.173 -0.467 . . . . 20.0 110.725 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -75.79 151.23 37.58 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 116.279 -0.419 . . . . 20.0 110.745 177.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 50.3 mtt85 -149.46 156.12 41.5 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 116.144 -0.48 . . . . 20.0 110.432 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 67.0 mtt -98.11 79.37 2.58 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 120.986 0.422 . . . . 20.0 110.43 174.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.19 81.37 1.37 Allowed 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 115.929 -0.578 . . . . 20.0 110.289 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.04 173.68 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 116.154 -0.475 . . . . 20.0 110.967 -175.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -145.91 157.16 43.9 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 116.114 -0.493 . . . . 20.0 110.634 173.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -131.95 157.45 44.02 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 116.025 -0.534 . . . . 20.0 110.94 -175.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -92.97 26.6 2.72 Favored 'General case' 0 CA--C 1.556 1.209 0 CA-C-N 116.179 -0.464 . . . . 20.0 111.335 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 -83.94 12.3 6.42 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.501 -0.318 . . . . 20.0 111.193 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 483' ' ' HIS . . . . . 0.461 ' HB3' HD21 ' A' ' 509' ' ' LEU . 57.0 p-80 -162.0 178.36 8.92 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.007 0.432 . . . . 20.0 111.415 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -137.99 159.12 42.87 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.419 -0.809 . . . . 20.0 109.704 169.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -98.44 136.31 38.76 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.843 0.354 . . . . 20.0 110.893 -175.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.9 tp -136.55 115.3 12.1 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.007 -0.542 . . . . 20.0 110.33 177.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 23.8 mt -86.22 124.47 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.886 0.374 . . . . 20.0 110.635 -178.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 49.2 t -136.17 125.17 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 115.829 -0.623 . . . . 20.0 110.126 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 36.1 t0 49.77 41.0 21.56 Favored 'General case' 0 CA--C 1.564 1.49 0 CA-C-O 121.067 0.461 . . . . 20.0 111.086 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.15 -22.63 14.15 Favored Glycine 0 CA--C 1.547 2.08 0 CA-C-N 116.216 -0.447 . . . . 20.0 113.004 176.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 57.2 mtt85 -88.23 136.36 33.02 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 116.905 0.352 . . . . 20.0 110.961 -176.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 92.0 t -80.8 117.22 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.131 171.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -96.87 150.0 21.23 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.285 172.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -114.3 117.96 32.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 20.0 110.052 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.8 mt -112.63 128.29 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-N 116.396 -0.366 . . . . 20.0 111.037 -170.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.5 t -64.36 135.15 55.88 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 116.235 -0.439 . . . . 20.0 110.787 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 12.8 pt -67.96 -40.81 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 N-CA-C 111.693 0.257 . . . . 20.0 111.693 -175.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.76 -63.54 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 N-CA-C 111.831 0.308 . . . . 20.0 111.831 -175.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 30.3 p -105.13 -2.74 23.89 Favored 'General case' 0 CA--C 1.563 1.45 0 CA-C-N 116.044 -0.525 . . . . 20.0 112.382 -169.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 58.04 40.65 25.18 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 122.616 0.367 . . . . 20.0 111.782 -177.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -82.41 130.86 35.2 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 116.366 -0.379 . . . . 20.0 110.182 169.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 37.1 p -95.42 152.23 18.58 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 120.941 0.4 . . . . 20.0 111.407 -176.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -142.68 144.52 32.77 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.742 -0.663 . . . . 20.0 111.13 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 92.5 t -79.27 -21.91 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 116.09 -0.504 . . . . 20.0 110.835 174.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 83.6 m -132.11 136.26 47.01 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.43 -0.35 . . . . 20.0 110.959 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 13.5 mt -56.25 -33.08 65.09 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-N 116.39 -0.368 . . . . 20.0 110.828 175.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 507' ' ' THR . . . . . 0.405 HG22 ' H73' ' E' ' 26' ' ' ' DT' . 82.2 p -55.2 -40.71 71.08 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 116.491 -0.322 . . . . 20.0 110.926 178.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 6.2 m -70.53 -38.06 74.18 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.32 -0.4 . . . . 20.0 110.792 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 483' ' ' HIS . 1.2 tp -63.46 -47.25 82.58 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 116.416 -0.356 . . . . 20.0 110.842 177.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -47.0 84.88 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 120.679 0.276 . . . . 20.0 110.628 176.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -54.63 -46.92 73.99 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 116.13 -0.487 . . . . 20.0 110.907 175.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -70.91 -46.51 62.39 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.266 -0.425 . . . . 20.0 111.399 -176.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -61.95 -23.56 66.45 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.664 -0.244 . . . . 20.0 111.059 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -20.54 49.17 Favored 'General case' 0 CA--C 1.566 1.586 0 CA-C-N 116.596 -0.274 . . . . 20.0 111.215 174.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 25.6 mt -81.89 -18.75 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 122.493 0.317 . . . . 20.0 111.164 178.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -98.63 -46.46 5.7 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 120.748 0.309 . . . . 20.0 110.686 177.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 84.5 p -76.89 -34.64 57.74 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.201 -0.454 . . . . 20.0 111.365 -176.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 65.4 m95 53.03 37.58 25.08 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.365 0.603 . . . . 20.0 110.033 -169.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -60.29 -37.12 79.52 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.433 -0.803 . . . . 20.0 110.951 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -134.5 122.6 22.66 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 116.231 -0.441 . . . . 20.0 110.612 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -89.99 149.62 22.48 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.522 -0.308 . . . . 20.0 110.732 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -127.76 79.94 72.78 Favored Pre-proline 0 CA--C 1.551 1.019 0 CA-C-N 116.145 -0.479 . . . . 20.0 110.685 177.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -69.82 150.43 67.84 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.84 2.36 . . . . 20.0 112.607 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 44.0 t -90.91 144.45 25.67 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 115.958 -0.564 . . . . 20.0 110.487 174.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -77.93 -39.99 41.07 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 120.79 0.329 . . . . 20.0 110.978 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -80.27 -20.91 43.35 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-N 115.988 -0.551 . . . . 20.0 111.897 -169.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.5 p -145.06 163.92 32.78 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 120.787 0.327 . . . . 20.0 110.693 174.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -80.78 29.63 0.32 Allowed 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 120.751 0.31 . . . . 20.0 111.756 -174.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -88.17 149.25 23.99 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 116.536 -0.302 . . . . 20.0 110.953 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 27.0 t -125.77 133.88 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-N 116.233 -0.439 . . . . 20.0 110.49 172.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -103.31 151.26 38.55 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-N 116.186 -0.461 . . . . 20.0 110.692 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -84.86 -2.97 9.77 Favored 'Trans proline' 0 CA--C 1.554 1.516 0 C-N-CA 122.902 2.401 . . . . 20.0 112.345 173.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 7.0 mp -131.63 135.64 47.1 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.872 0.469 . . . . 20.0 110.126 177.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.6 -42.26 87.16 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 120.542 0.211 . . . . 20.0 111.2 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -62.28 -35.35 78.74 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 116.568 -0.287 . . . . 20.0 110.981 -179.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -66.39 -35.9 81.49 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.577 -0.283 . . . . 20.0 110.751 176.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 537' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -59.54 -50.42 73.95 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.541 -0.3 . . . . 20.0 110.264 172.455 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 538' ' ' THR . . . . . 0.433 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 6.0 m -59.56 -53.57 56.55 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.324 -0.398 . . . . 20.0 110.724 -176.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -56.23 -40.05 73.5 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 116.593 -0.276 . . . . 20.0 110.979 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -67.15 -44.76 78.97 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-O 120.655 0.264 . . . . 20.0 111.198 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -69.39 -29.56 67.35 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-O 120.505 0.193 . . . . 20.0 111.085 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 36.7 mt -64.39 -30.83 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-O 120.715 0.293 . . . . 20.0 110.493 170.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 543' ' ' HIS . . . . . 0.42 ' HA ' HD11 ' A' ' 560' ' ' ILE . 1.9 t-80 -76.38 -28.57 56.79 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.343 -0.389 . . . . 20.0 111.126 177.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -74.3 -43.38 56.99 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 120.76 0.314 . . . . 20.0 110.781 174.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 23.6 p -83.13 -16.03 48.39 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 116.189 -0.459 . . . . 20.0 111.29 -176.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 72.59 17.01 77.73 Favored Glycine 0 CA--C 1.544 1.862 0 C-N-CA 121.543 -0.36 . . . . 20.0 112.749 175.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -58.84 124.29 19.33 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 120.906 0.384 . . . . 20.0 111.07 -175.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -100.2 80.08 2.23 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.203 -0.453 . . . . 20.0 110.689 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -76.77 -29.96 56.32 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-N 116.231 -0.441 . . . . 20.0 111.53 -174.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -94.02 100.01 12.21 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.825 0.345 . . . . 20.0 110.678 -172.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -101.37 132.65 46.84 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.328 -0.396 . . . . 20.0 111.122 -174.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 49.5 t -70.33 149.75 47.04 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.046 -0.525 . . . . 20.0 110.237 169.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 91.8 mt -105.92 -16.58 14.6 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 120.543 0.211 . . . . 20.0 111.35 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.1 -48.6 23.02 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 116.77 -0.195 . . . . 20.0 111.05 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 28.1 p -120.07 -2.84 10.16 Favored 'General case' 0 CA--C 1.561 1.403 0 N-CA-C 111.871 0.323 . . . . 20.0 111.871 -176.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 81.28 -3.43 77.44 Favored Glycine 0 CA--C 1.556 2.611 0 C-N-CA 121.019 -0.61 . . . . 20.0 113.594 172.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -68.89 141.71 54.97 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 117.424 0.612 . . . . 20.0 111.051 -176.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 17.0 m -109.28 138.64 45.33 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 116.3 -0.409 . . . . 20.0 111.14 -175.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -124.04 157.21 35.02 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 116.027 -0.533 . . . . 20.0 110.953 -175.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.42 HD11 ' HA ' ' A' ' 543' ' ' HIS . 1.6 tt -73.87 -26.04 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 116.038 -0.528 . . . . 20.0 111.63 -171.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 38.6 p30 -156.21 169.78 23.75 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-O 121.132 0.492 . . . . 20.0 111.171 -176.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -60.8 -35.7 77.16 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.871 -0.604 . . . . 20.0 111.288 -177.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -65.49 -45.72 82.51 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.557 -0.292 . . . . 20.0 110.992 -174.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -64.88 -44.38 89.85 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.597 -0.274 . . . . 20.0 110.617 176.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 33.7 ttp -56.93 -48.38 78.44 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.493 -0.321 . . . . 20.0 110.923 178.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 39.8 t -62.34 -46.93 86.48 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.477 -0.329 . . . . 20.0 110.772 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 17.7 t -59.4 -41.12 88.67 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.483 -0.326 . . . . 20.0 110.824 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -63.83 -48.06 78.3 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.338 -0.392 . . . . 20.0 111.027 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.94 -38.18 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 120.646 0.26 . . . . 20.0 110.677 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -68.01 -45.51 73.83 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.432 -0.349 . . . . 20.0 111.032 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 25.0 p -76.59 -35.06 58.36 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 111.934 0.346 . . . . 20.0 111.934 -173.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 72.9 t -96.2 -47.18 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 N-CA-C 111.427 0.158 . . . . 20.0 111.427 -172.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -100.04 -5.16 28.49 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.664 -0.244 . . . . 20.0 111.534 -173.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 1.9 t 55.93 37.71 29.17 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 120.929 0.395 . . . . 20.0 111.174 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -129.92 160.12 34.53 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.172 -0.467 . . . . 20.0 110.716 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -105.5 110.81 64.69 Favored Pre-proline 0 CA--C 1.55 0.981 0 CA-C-N 116.24 -0.436 . . . . 20.0 110.697 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -75.63 -18.0 17.75 Favored 'Trans proline' 0 CA--C 1.547 1.163 0 C-N-CA 122.586 2.191 . . . . 20.0 112.492 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 8.8 t -76.55 -12.49 60.03 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 120.693 0.283 . . . . 20.0 110.989 177.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -81.74 -130.34 1.21 Allowed Glycine 0 CA--C 1.54 1.601 0 N-CA-C 112.231 -0.348 . . . . 20.0 112.231 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -120.03 29.75 7.36 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-O 120.803 0.335 . . . . 20.0 111.107 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 53.5 p -90.34 -46.51 8.34 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 116.541 -0.3 . . . . 20.0 111.134 -177.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt 58.09 76.3 0.34 Allowed 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.344 0.593 . . . . 20.0 110.938 -177.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 4.9 mt -110.15 22.96 14.94 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 115.452 -0.794 . . . . 20.0 111.328 -174.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -152.68 165.22 35.97 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.004 0.43 . . . . 20.0 111.451 -173.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -140.36 133.55 29.62 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.845 -0.616 . . . . 20.0 110.398 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -98.58 107.28 19.7 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 116.452 -0.34 . . . . 20.0 110.522 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -79.92 160.54 68.64 Favored Pre-proline 0 CA--C 1.553 1.079 0 CA-C-N 116.165 -0.471 . . . . 20.0 110.909 -178.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -60.04 149.31 85.22 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 122.626 2.217 . . . . 20.0 112.384 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 18.2 t -84.52 112.37 20.34 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.245 -0.434 . . . . 20.0 110.372 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 52.1 mmm-85 -105.51 -34.83 7.66 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 116.517 -0.31 . . . . 20.0 111.27 -172.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 32.3 m -67.87 -23.19 65.1 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 115.915 -0.584 . . . . 20.0 111.807 -170.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 3.4 mt -102.02 175.09 5.65 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.169 0.509 . . . . 20.0 111.478 -178.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -108.55 98.07 7.64 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.317 -0.856 . . . . 20.0 109.733 169.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 17.8 pt -140.67 171.74 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 116.261 -0.427 . . . . 20.0 110.607 -175.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -75.57 140.93 42.98 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 110.137 -0.32 . . . . 20.0 110.137 171.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -112.64 97.98 6.94 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.951 0.405 . . . . 20.0 110.881 -170.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -55.13 137.77 45.99 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.055 -0.52 . . . . 20.0 110.768 178.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -67.9 -15.59 63.69 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 112.045 0.387 . . . . 20.0 112.045 -171.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -76.53 -16.47 59.62 Favored 'General case' 0 CA--C 1.554 1.126 0 O-C-N 122.453 -0.154 . . . . 20.0 111.293 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -81.41 -33.31 32.29 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 120.587 0.232 . . . . 20.0 110.592 171.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 26.0 t -60.83 -70.21 0.19 Allowed 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 116.245 -0.434 . . . . 20.0 110.63 -178.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -157.71 137.1 11.92 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.778 0.323 . . . . 20.0 110.703 176.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -52.64 136.19 33.36 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 116.216 -0.447 . . . . 20.0 111.161 -177.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.484 1.268 0 CA-C-N 115.881 -0.599 . . . . 20.0 111.15 179.676 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.419 0 O4'-C4'-C3' 107.694 2.094 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.454 0 O4'-C4'-C3' 108.721 3.121 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.572 0 O5'-C5'-C4' 114.433 3.023 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.927 1 O5'-C5'-C4' 116.181 4.272 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.515 0 O5'-C5'-C4' 115.002 3.43 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.351 0 O5'-C5'-C4' 114.452 3.037 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.57 0 O4'-C4'-C3' 109.003 3.403 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.444 0 P-O3'-C3' 123.395 3.079 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.463 0 C3'-C2'-C1' 98.107 -3.281 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.275 0 O3'-P-O5' 97.205 -3.576 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.285 0 P-O3'-C3' 123.599 3.249 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.052 0 P-O3'-C3' 122.894 2.662 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.305 0 P-O3'-C3' 123.051 2.793 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.555 0 P-O3'-C3' 124.255 3.796 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.36 0 O4'-C4'-C3' 108.299 2.699 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.374 0 P-O3'-C3' 122.716 2.514 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.903 0 O4'-C4'-C3' 109.589 3.989 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.08 0 O4'-C4'-C3' 108.987 3.387 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.391 0 C1'-O4'-C4' 105.88 -2.729 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.537 0 C1'-O4'-C4' 105.812 -2.777 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.73 0 O5'-C5'-C4' 114.033 2.738 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.239 0 O5'-C5'-C4' 113.88 2.628 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.531 0 P-O3'-C3' 123.368 3.057 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.189 0 C1'-O4'-C4' 105.778 -2.801 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.341 0 O5'-C5'-C4' 115.572 3.837 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 26' ' ' ' DT' . . . . . 0.405 ' H73' HG22 ' A' ' 507' ' ' THR . . . . . . . . 0 P--O5' 1.632 3.89 1 O5'-C5'-C4' 116.154 4.253 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.037 1 C3'-C2'-C1' 96.441 -4.47 . . . . 20.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.523 1.492 0 P-O3'-C3' 123.761 3.384 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.849 0 C1'-O4'-C4' 106.725 -2.125 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.566 0 O4'-C4'-C3' 108.309 2.709 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.273 0 C1'-O4'-C4' 105.068 -3.308 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.698 1 P-O3'-C3' 125.228 4.607 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.88 0 O5'-C5'-C4' 114.821 3.301 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.491 0 P-O3'-C3' 122.936 2.697 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.514 0 O4'-C4'-C3' 108.409 2.809 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.664 0 O4'-C4'-C3' 108.609 3.009 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.602 0 O4'-C4'-C3' 108.651 3.051 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.166 0 P-O3'-C3' 122.936 2.696 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.893 0 CA-C-O 120.919 0.39 . . . . 20.0 110.892 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 51.9 p30 -148.7 170.67 17.64 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 116.198 -0.455 . . . . 20.0 110.932 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -75.37 152.49 38.06 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 116.235 -0.439 . . . . 20.0 111.07 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -144.69 133.76 22.72 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 116.115 -0.493 . . . . 20.0 110.37 178.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -95.64 79.63 3.38 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 120.92 0.391 . . . . 20.0 110.903 -175.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.88 49.87 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 116.0 -0.546 . . . . 20.0 110.349 173.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 30.6 m -122.39 155.77 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 CA-C-N 115.598 -0.728 . . . . 20.0 110.876 -177.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -74.8 157.79 34.56 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 116.218 -0.446 . . . . 20.0 110.636 176.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -137.08 118.37 14.59 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.226 -0.443 . . . . 20.0 110.96 -178.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -87.65 7.45 29.9 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 116.063 -0.517 . . . . 20.0 110.83 174.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -79.06 7.62 7.09 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 122.591 0.357 . . . . 20.0 111.467 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -153.81 168.78 25.18 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.83 0.347 . . . . 20.0 110.914 177.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -133.55 156.48 47.72 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.95 -0.568 . . . . 20.0 110.067 169.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -109.21 126.67 53.54 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.015 0.436 . . . . 20.0 110.84 -174.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.4 tp -121.05 113.8 20.57 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.742 -0.663 . . . . 20.0 110.184 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 24.8 mt -85.04 122.7 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 120.88 0.371 . . . . 20.0 110.494 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 46.1 t -134.92 125.31 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 115.867 -0.606 . . . . 20.0 110.137 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 37.1 t0 50.07 39.01 18.2 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 121.012 0.434 . . . . 20.0 111.073 -178.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.27 -17.28 43.89 Favored Glycine 0 CA--C 1.55 2.254 0 CA-C-N 116.27 -0.423 . . . . 20.0 113.014 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -92.1 135.21 34.16 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 116.956 0.378 . . . . 20.0 111.124 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 70.4 t -80.04 122.47 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 116.377 -0.374 . . . . 20.0 110.153 172.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -109.23 114.75 28.71 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.44 -0.346 . . . . 20.0 110.567 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -79.83 124.18 28.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.331 -0.395 . . . . 20.0 110.17 177.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.0 mt -118.64 131.69 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-O 120.837 0.351 . . . . 20.0 110.87 -172.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 496' ' ' CYS . . . . . 0.875 ' HG ' 'ZN ' ' A' ' 701' ' ' ' ZN' . 5.5 t -67.39 135.57 53.39 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.04 -0.527 . . . . 20.0 110.617 176.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 42.7 pt -68.31 -39.55 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 N-CA-C 111.549 0.203 . . . . 20.0 111.549 -176.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 44.9 t -60.91 -64.27 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 111.96 0.355 . . . . 20.0 111.96 -176.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 31.5 p -104.98 -6.29 20.2 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 112.459 0.54 . . . . 20.0 112.459 -169.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 60.51 38.44 19.03 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 122.643 0.377 . . . . 20.0 111.881 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -80.98 129.41 34.52 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 110.012 -0.366 . . . . 20.0 110.012 169.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 30.9 p -93.65 144.43 25.4 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 120.942 0.401 . . . . 20.0 111.372 -175.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -135.89 135.7 39.91 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.739 -0.664 . . . . 20.0 110.819 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 50.7 t -72.98 -18.35 18.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 116.062 -0.517 . . . . 20.0 110.966 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 86.4 m -127.92 164.92 21.23 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 120.931 0.396 . . . . 20.0 110.88 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 10.4 mt -82.13 -33.05 29.81 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.189 -0.46 . . . . 20.0 110.618 172.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 40.7 p -60.04 -40.09 88.19 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 116.624 -0.262 . . . . 20.0 111.232 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 2.6 p -70.47 -36.74 74.06 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.604 -0.271 . . . . 20.0 111.043 177.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 2.8 tp -64.67 -47.2 79.3 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 116.75 -0.204 . . . . 20.0 110.838 175.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -54.91 -49.99 69.89 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 120.745 0.307 . . . . 20.0 110.551 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -55.0 -47.47 74.62 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 115.924 -0.58 . . . . 20.0 110.842 175.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -66.58 -45.59 78.76 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.175 -0.466 . . . . 20.0 111.51 -174.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -61.14 -23.79 65.8 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 120.497 0.189 . . . . 20.0 111.353 -173.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -24.93 63.62 Favored 'General case' 0 CA--C 1.563 1.444 0 CA-C-N 116.808 -0.178 . . . . 20.0 111.089 175.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 32.3 mt -75.13 -21.29 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 122.443 0.297 . . . . 20.0 111.144 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -95.89 -42.0 8.52 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.686 0.279 . . . . 20.0 111.042 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 95.7 p -73.95 -37.34 64.58 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.509 -0.314 . . . . 20.0 111.289 -176.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 70.4 m95 50.27 30.84 4.69 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.181 0.515 . . . . 20.0 110.513 -169.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.06 -33.21 70.03 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.875 -0.602 . . . . 20.0 110.657 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -126.31 116.82 21.82 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.055 -0.521 . . . . 20.0 110.393 177.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -93.86 147.06 23.43 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.353 -0.385 . . . . 20.0 110.754 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -122.68 80.01 48.2 Favored Pre-proline 0 CA--C 1.547 0.843 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.271 176.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -76.02 136.28 18.21 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.787 2.325 . . . . 20.0 112.449 -177.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.83 142.16 57.43 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.881 -0.599 . . . . 20.0 110.664 176.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -76.94 -33.16 57.71 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 116.686 -0.234 . . . . 20.0 111.172 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -87.98 -19.93 26.55 Favored 'General case' 0 CA--C 1.56 1.36 0 N-CA-C 112.073 0.397 . . . . 20.0 112.073 -172.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.1 p -144.75 170.25 16.47 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-O 120.833 0.349 . . . . 20.0 110.905 177.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -80.46 3.38 21.64 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 111.941 0.348 . . . . 20.0 111.941 -173.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -68.17 142.35 55.74 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 120.772 0.32 . . . . 20.0 111.013 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 15.9 t -120.82 134.65 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-N 116.137 -0.483 . . . . 20.0 110.679 175.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -106.02 150.28 39.1 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.02 -0.536 . . . . 20.0 110.609 177.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -84.15 -5.43 10.36 Favored 'Trans proline' 0 CA--C 1.55 1.313 0 C-N-CA 122.848 2.365 . . . . 20.0 112.57 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 9.5 mp -130.95 143.75 50.96 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.77 0.428 . . . . 20.0 110.092 177.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.07 -46.31 78.17 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 120.672 0.272 . . . . 20.0 111.054 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.03 -36.44 79.56 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 116.615 -0.266 . . . . 20.0 111.128 -177.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -64.38 -39.06 93.13 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.431 0.158 . . . . 20.0 110.718 177.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -49.54 71.96 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.609 -0.268 . . . . 20.0 110.327 173.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 36.3 m -52.83 -56.15 17.87 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.494 -0.321 . . . . 20.0 110.845 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -61.73 -33.3 73.81 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.745 -0.207 . . . . 20.0 111.044 -177.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -70.56 -40.4 73.37 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 120.635 0.255 . . . . 20.0 110.851 177.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -67.19 -32.47 73.57 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 122.335 -0.228 . . . . 20.0 110.671 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 38.8 mt -65.45 -25.05 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 CA-C-O 120.725 0.298 . . . . 20.0 110.69 171.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -74.97 -26.26 59.46 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.376 -0.375 . . . . 20.0 110.976 173.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -79.15 -42.28 26.56 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 120.536 0.207 . . . . 20.0 110.98 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 67.9 p -72.09 -35.34 69.18 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 120.599 0.237 . . . . 20.0 110.792 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 88.33 11.32 66.96 Favored Glycine 0 CA--C 1.54 1.616 0 CA-C-N 116.398 -0.365 . . . . 20.0 112.442 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -65.37 132.69 49.64 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 120.853 0.359 . . . . 20.0 110.976 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -87.13 143.21 27.4 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.894 0.378 . . . . 20.0 110.675 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.25 -53.98 2.57 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 116.042 -0.526 . . . . 20.0 110.898 -177.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -105.06 124.3 49.29 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.179 -0.464 . . . . 20.0 110.97 -175.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -102.08 131.04 48.78 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.334 -0.394 . . . . 20.0 110.462 174.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 43.7 t -68.92 144.41 54.19 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.292 -0.413 . . . . 20.0 110.047 172.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 86.5 mt -102.67 -16.31 16.07 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 120.525 0.203 . . . . 20.0 111.364 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.23 -49.14 20.31 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-N 116.695 -0.23 . . . . 20.0 111.15 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 31.0 p -120.07 -5.24 10.02 Favored 'General case' 0 CA--C 1.563 1.45 0 N-CA-C 111.968 0.358 . . . . 20.0 111.968 -175.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 84.8 -2.87 87.87 Favored Glycine 0 CA--C 1.557 2.703 0 C-N-CA 121.099 -0.572 . . . . 20.0 113.557 173.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -72.4 137.4 46.49 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 117.296 0.548 . . . . 20.0 111.026 -177.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 50.4 m -109.71 147.33 33.34 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 120.893 0.378 . . . . 20.0 111.328 -175.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -129.7 161.16 31.27 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 116.115 -0.493 . . . . 20.0 111.133 -174.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -82.81 -24.6 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 116.32 -0.4 . . . . 20.0 111.869 -170.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -153.47 173.35 15.8 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 121.136 0.493 . . . . 20.0 111.403 -176.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -66.42 -35.64 80.82 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.754 -0.657 . . . . 20.0 111.172 -174.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -62.18 -43.83 97.96 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 116.409 -0.36 . . . . 20.0 110.786 -177.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -67.93 -49.44 61.84 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.535 -0.302 . . . . 20.0 111.176 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -40.62 97.84 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.539 0.209 . . . . 20.0 110.75 -176.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 39.7 t -64.22 -47.77 78.4 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.595 -0.275 . . . . 20.0 110.789 177.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 24.4 t -59.83 -40.74 89.51 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.469 -0.332 . . . . 20.0 111.048 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -64.97 -48.11 75.21 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 116.468 -0.333 . . . . 20.0 111.278 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.52 -36.24 77.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-O 120.611 0.244 . . . . 20.0 110.619 -177.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -67.3 -47.28 71.07 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.56 -0.291 . . . . 20.0 110.981 176.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 39.1 m -72.52 -37.61 68.3 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 111.798 0.295 . . . . 20.0 111.798 -174.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 71.4 t -97.99 -47.17 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 N-CA-C 111.513 0.19 . . . . 20.0 111.513 -170.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -100.14 1.64 42.31 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 116.693 -0.23 . . . . 20.0 111.469 -173.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 90.3 p 54.72 31.73 15.97 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 123.023 0.529 . . . . 20.0 111.794 175.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -130.95 156.43 45.1 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.885 0.374 . . . . 20.0 110.782 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -109.43 111.19 59.77 Favored Pre-proline 0 CA--C 1.551 0.99 0 CA-C-N 116.235 -0.439 . . . . 20.0 110.736 -178.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.68 -11.22 27.7 Favored 'Trans proline' 0 CA--C 1.549 1.237 0 C-N-CA 122.659 2.239 . . . . 20.0 112.654 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 23.2 t -75.39 -14.63 60.47 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-O 120.776 0.322 . . . . 20.0 110.845 172.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -80.22 -141.18 2.59 Favored Glycine 0 CA--C 1.541 1.677 0 CA-C-N 116.328 -0.396 . . . . 20.0 112.318 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -115.87 29.55 7.91 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 120.7 0.286 . . . . 20.0 111.408 -177.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 13.8 p -99.34 -47.77 5.04 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.509 -0.314 . . . . 20.0 111.015 178.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 54.53 90.2 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.517 0.675 . . . . 20.0 111.21 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 1.4 mp -112.35 30.09 7.37 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 115.051 -0.977 . . . . 20.0 110.901 -178.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -145.88 161.23 40.49 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 120.918 0.389 . . . . 20.0 110.858 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -136.27 138.71 42.05 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.947 -0.57 . . . . 20.0 110.499 177.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 tt -94.51 128.19 40.93 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 116.356 -0.384 . . . . 20.0 110.719 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -107.1 151.68 40.81 Favored Pre-proline 0 N--CA 1.487 1.378 0 CA-C-N 116.537 -0.301 . . . . 20.0 110.874 178.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -66.18 152.15 81.87 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 122.701 2.268 . . . . 20.0 112.705 -176.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 50.6 t -95.46 129.8 42.5 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.119 -0.491 . . . . 20.0 110.673 178.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.52 -12.5 2.69 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 116.206 -0.452 . . . . 20.0 111.913 -174.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 47.0 p -69.63 -26.09 64.25 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 111.478 0.177 . . . . 20.0 111.478 -176.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.0 pp -142.9 164.42 30.13 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 120.885 0.374 . . . . 20.0 110.753 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -83.63 109.89 17.81 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 116.158 -0.474 . . . . 20.0 111.528 -170.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 19.4 pt -145.65 167.3 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 CA-C-N 115.721 -0.672 . . . . 20.0 109.869 170.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -72.52 140.34 48.11 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 110.082 -0.34 . . . . 20.0 110.082 175.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -125.36 115.76 20.83 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.089 0.471 . . . . 20.0 110.727 -177.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -69.89 161.87 29.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.65 -0.705 . . . . 20.0 111.254 -176.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -67.4 -10.1 48.04 Favored 'General case' 0 CA--C 1.561 1.388 0 CA-C-N 116.203 -0.453 . . . . 20.0 111.886 -177.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -86.18 -24.06 26.28 Favored 'General case' 0 CA--C 1.556 1.183 0 O-C-N 122.41 -0.181 . . . . 20.0 110.861 174.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.71 -34.63 39.97 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-O 120.877 0.37 . . . . 20.0 110.143 169.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 6.5 t -69.72 7.1 0.94 Allowed 'General case' 0 CA--C 1.565 1.52 0 CA-C-N 115.858 -0.61 . . . . 20.0 111.824 -178.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -59.48 149.15 30.47 Favored 'General case' 0 CA--C 1.556 1.182 0 CA-C-O 120.902 0.382 . . . . 20.0 110.882 176.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -66.38 117.23 8.33 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.325 -0.398 . . . . 20.0 110.984 -177.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 75.6 m . . . . . 0 N--CA 1.477 0.915 0 CA-C-N 116.131 -0.486 . . . . 20.0 110.731 -179.791 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.689 0 O4'-C4'-C3' 107.699 2.099 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.596 0 P-O3'-C3' 123.473 3.144 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.423 0 O5'-C5'-C4' 114.049 2.749 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.617 0 O5'-C5'-C4' 114.955 3.397 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.366 0 O5'-C5'-C4' 115.176 3.554 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.368 0 P-O3'-C3' 124.217 3.764 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.814 0 O5'-C5'-C4' 115.164 3.546 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.138 0 P-O3'-C3' 123.449 3.124 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.394 0 C3'-C2'-C1' 97.138 -3.973 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.166 0 C5'-C4'-C3' 110.474 -2.817 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.488 0 P-O3'-C3' 123.527 3.189 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.13 0 P-O3'-C3' 122.789 2.574 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.194 0 O4'-C4'-C3' 108.577 2.977 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.461 0 O4'-C4'-C3' 108.684 3.084 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.461 0 O4'-C4'-C3' 108.216 2.616 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.375 0 O4'-C4'-C3' 108.381 2.781 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.008 0 O5'-C5'-C4' 114.673 3.195 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.973 0 P-O3'-C3' 122.66 2.466 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.01 0 O5'-C5'-C4' 114.457 3.041 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.942 0 O4'-C4'-C3' 108.848 3.248 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.475 0 O4'-C4'-C3' 108.057 2.457 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.282 0 P-O3'-C3' 123.23 2.942 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.623 0 P-O3'-C3' 123.328 3.023 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.425 0 O5'-C5'-C4' 114.699 3.213 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.989 0 P-O3'-C3' 123.537 3.197 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.601 1 O5'-C5'-C4' 117.176 4.983 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.496 2 C3'-C2'-C1' 95.307 -5.281 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.538 0 O4'-C4'-C3' 108.816 3.216 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.14 0 O5'-C5'-C4' 114.257 2.898 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.607 0 O4'-C4'-C3' 108.928 3.328 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.454 0 C1'-O4'-C4' 104.702 -3.57 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.151 0 O5'-C5'-C4' 114.619 3.157 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.691 0 O4'-C4'-C3' 109.014 3.414 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.391 0 P-O3'-C3' 123.587 3.239 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.362 0 P-O3'-C3' 123.171 2.892 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.637 0 O4'-C4'-C3' 108.781 3.181 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.696 0 O4'-C4'-C3' 108.556 2.956 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.187 0 P-O3'-C3' 122.962 2.718 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . 0.875 'ZN ' ' HG ' ' A' ' 496' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.813 0 CA-C-O 120.873 0.368 . . . . 20.0 110.655 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -154.96 167.69 29.47 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 116.15 -0.477 . . . . 20.0 110.999 -175.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -131.58 157.11 44.49 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 116.026 -0.534 . . . . 20.0 110.488 177.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -79.13 98.64 6.63 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 120.93 0.395 . . . . 20.0 110.767 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 66.8 mtt -88.19 159.6 18.09 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 115.947 -0.57 . . . . 20.0 111.097 -176.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -156.53 52.43 0.52 Allowed 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 115.533 -0.758 . . . . 20.0 109.165 175.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 34.7 m -81.38 166.57 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 115.351 -0.84 . . . . 20.0 111.743 -169.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -84.23 130.47 34.82 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.806 -0.634 . . . . 20.0 109.805 169.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -86.04 79.54 9.14 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-O 121.011 0.434 . . . . 20.0 111.453 -169.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -96.88 47.55 1.05 Allowed 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 115.907 -0.588 . . . . 20.0 110.097 171.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 22.4 p30 -120.82 7.57 10.46 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 115.43 -0.805 . . . . 20.0 111.559 -169.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 483' ' ' HIS . . . . . 0.536 ' HB3' HD21 ' A' ' 509' ' ' LEU . 53.4 p-80 -161.21 176.04 11.69 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.078 0.466 . . . . 20.0 111.659 -179.148 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -136.65 158.49 44.31 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.368 -0.833 . . . . 20.0 109.564 169.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 54.2 mp0 -101.81 134.1 45.52 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.922 0.391 . . . . 20.0 110.91 -175.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 14.4 tp -134.31 117.83 16.84 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.889 -0.596 . . . . 20.0 110.331 -178.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 32.7 mt -88.12 122.74 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-O 120.87 0.367 . . . . 20.0 110.468 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 40.3 t -136.96 128.94 43.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 115.83 -0.623 . . . . 20.0 110.111 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 53.12 35.95 21.08 Favored 'General case' 0 CA--C 1.565 1.528 0 CA-C-O 120.969 0.414 . . . . 20.0 111.171 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.76 2.11 87.87 Favored Glycine 0 CA--C 1.549 2.163 0 CA-C-N 116.391 -0.368 . . . . 20.0 112.929 177.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -110.3 136.71 49.07 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.485 0.314 . . . . 20.0 110.71 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 97.0 t -80.03 120.88 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-O 120.742 0.306 . . . . 20.0 110.219 174.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -103.74 150.33 24.16 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.281 173.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -114.95 118.69 34.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.172 -0.467 . . . . 20.0 109.991 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.4 mt -112.78 126.63 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-O 120.795 0.331 . . . . 20.0 110.962 -170.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.1 t -64.22 135.13 55.99 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.172 -0.467 . . . . 20.0 110.589 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 29.0 pt -69.86 -37.42 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-N 116.551 -0.295 . . . . 20.0 111.71 -175.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.83 -64.75 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 CA-C-O 120.708 0.289 . . . . 20.0 111.751 -176.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 27.7 p -105.16 -3.1 23.4 Favored 'General case' 0 CA--C 1.559 1.303 0 CA-C-N 116.012 -0.54 . . . . 20.0 112.339 -169.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt 57.84 41.16 25.25 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 122.602 0.361 . . . . 20.0 111.689 -175.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -81.48 131.09 35.27 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 116.215 -0.448 . . . . 20.0 110.194 169.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 28.4 p -93.22 145.23 24.58 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 120.951 0.405 . . . . 20.0 111.238 -177.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -137.86 143.03 40.73 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.793 -0.639 . . . . 20.0 110.956 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 85.5 t -84.71 -15.07 11.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 CA-C-N 115.892 -0.595 . . . . 20.0 110.939 177.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 96.5 m -136.35 134.25 37.67 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.798 0.332 . . . . 20.0 110.915 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.5 -41.27 93.95 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.238 -0.437 . . . . 20.0 111.257 -178.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 15.7 p -58.81 -33.83 70.81 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 120.602 0.239 . . . . 20.0 110.986 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 3.8 t -71.11 -40.63 71.37 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.438 -0.346 . . . . 20.0 110.796 176.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 483' ' ' HIS . 1.4 tp -63.44 -44.97 92.98 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.259 -0.428 . . . . 20.0 110.929 175.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 47.7 mmm-85 -61.82 -43.93 97.86 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 120.666 0.27 . . . . 20.0 110.54 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -52.38 -43.96 65.02 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.082 -0.508 . . . . 20.0 110.653 172.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -73.2 -42.25 62.89 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 116.194 -0.457 . . . . 20.0 111.428 -177.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -63.11 -26.95 69.06 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 120.506 0.193 . . . . 20.0 111.321 -174.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -16.38 58.58 Favored 'General case' 0 CA--C 1.567 1.633 0 CA-C-N 116.753 -0.203 . . . . 20.0 111.174 176.071 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 33.7 mt -80.19 -21.03 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 122.426 0.291 . . . . 20.0 110.962 176.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -93.0 -42.21 9.57 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.653 0.263 . . . . 20.0 110.889 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 92.8 p -80.18 -32.97 38.65 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.24 -0.436 . . . . 20.0 111.36 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 69.8 m95 50.74 34.6 10.3 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 121.211 0.529 . . . . 20.0 110.404 -169.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -60.52 -36.43 78.37 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.7 -0.682 . . . . 20.0 111.089 178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -137.21 123.82 21.01 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.176 -0.465 . . . . 20.0 110.387 -177.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -95.66 146.39 24.53 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 116.145 -0.48 . . . . 20.0 110.735 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -120.8 79.87 32.24 Favored Pre-proline 0 CA--C 1.547 0.837 0 CA-C-N 116.074 -0.512 . . . . 20.0 110.293 174.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.79 141.49 21.71 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.766 2.311 . . . . 20.0 112.552 -176.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 49.2 t -72.69 142.29 48.23 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.762 -0.654 . . . . 20.0 110.46 173.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -80.56 -31.97 36.73 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-O 120.561 0.22 . . . . 20.0 111.006 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -84.36 -21.19 30.98 Favored 'General case' 0 CA--C 1.558 1.252 0 CA-C-N 116.371 -0.377 . . . . 20.0 111.837 -172.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.1 p -145.1 170.0 17.05 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.757 0.313 . . . . 20.0 110.772 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.32 7.84 8.73 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 112.026 0.38 . . . . 20.0 112.026 -173.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -71.61 144.28 49.52 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-O 120.715 0.293 . . . . 20.0 111.116 -177.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 17.7 t -125.33 137.96 55.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-N 116.185 -0.462 . . . . 20.0 110.725 176.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -112.51 149.21 40.74 Favored Pre-proline 0 CA--C 1.543 0.685 0 CA-C-N 116.044 -0.525 . . . . 20.0 110.771 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -84.74 -4.62 9.9 Favored 'Trans proline' 0 CA--C 1.557 1.635 0 C-N-CA 122.981 2.454 . . . . 20.0 112.595 174.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.2 mp -127.54 145.01 51.0 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.719 0.408 . . . . 20.0 110.131 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -73.14 -35.56 66.52 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-O 120.478 0.18 . . . . 20.0 111.222 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -60.35 -39.22 86.34 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.844 0.354 . . . . 20.0 110.556 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -69.55 -31.56 69.84 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.278 -0.419 . . . . 20.0 110.728 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 537' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.3 OUTLIER -60.04 -61.3 2.71 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.877 0.37 . . . . 20.0 110.176 170.466 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 538' ' ' THR . . . . . 0.475 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 39.9 m -57.74 -51.03 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.889 -0.596 . . . . 20.0 111.079 -172.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -64.45 -35.56 81.31 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 116.657 -0.247 . . . . 20.0 111.03 -174.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -69.72 -41.82 74.83 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-O 120.653 0.264 . . . . 20.0 110.892 176.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -67.3 -32.55 73.61 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 122.419 -0.176 . . . . 20.0 110.91 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 24.9 mt -64.0 -29.39 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-O 120.837 0.351 . . . . 20.0 110.701 171.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -26.72 61.79 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 116.341 -0.39 . . . . 20.0 110.902 176.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -79.3 -42.41 25.83 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-O 120.536 0.208 . . . . 20.0 111.072 175.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 80.8 p -75.65 -20.61 58.36 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 120.521 0.2 . . . . 20.0 111.206 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 77.44 12.19 84.77 Favored Glycine 0 CA--C 1.542 1.734 0 C-N-CA 121.536 -0.364 . . . . 20.0 112.443 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -60.93 119.81 8.97 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 120.949 0.404 . . . . 20.0 111.261 -174.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -74.65 146.73 42.15 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.197 -0.456 . . . . 20.0 110.442 173.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 -125.84 -53.98 1.53 Allowed 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 116.19 -0.459 . . . . 20.0 111.112 -177.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -100.33 117.27 34.18 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.662 -173.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -105.26 132.11 51.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.381 -0.372 . . . . 20.0 110.662 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 552' ' ' CYS . . . . . 0.816 ' HG ' 'ZN ' ' A' ' 703' ' ' ' ZN' . 42.5 t -69.41 144.84 53.25 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.25 -0.432 . . . . 20.0 110.01 172.115 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 92.3 mt -102.14 -15.99 16.52 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 120.536 0.208 . . . . 20.0 111.334 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.08 -48.88 21.67 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.622 -0.263 . . . . 20.0 111.123 177.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 31.9 p -120.11 -4.03 10.06 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 111.957 0.354 . . . . 20.0 111.957 -175.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 83.42 -0.59 89.58 Favored Glycine 0 CA--C 1.557 2.702 0 C-N-CA 121.085 -0.579 . . . . 20.0 113.598 172.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -70.72 137.18 49.5 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 117.304 0.552 . . . . 20.0 111.089 -176.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 51.1 m -105.16 147.78 27.59 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 116.337 -0.392 . . . . 20.0 111.156 -177.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -132.62 157.49 44.65 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.033 -0.531 . . . . 20.0 110.886 -177.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.8 tt -78.57 -25.05 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 CA-C-N 116.289 -0.414 . . . . 20.0 111.593 -174.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 34.1 p30 -151.64 170.97 18.39 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-O 120.967 0.413 . . . . 20.0 111.041 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -67.82 -36.08 79.75 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.118 -0.492 . . . . 20.0 111.108 -175.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -59.48 -46.92 87.42 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.611 -0.268 . . . . 20.0 111.076 -175.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -64.03 -46.33 84.91 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.645 -0.252 . . . . 20.0 110.869 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -60.02 -46.6 88.96 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.584 -0.28 . . . . 20.0 110.818 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 25.0 t -58.65 -49.14 78.61 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.496 -0.32 . . . . 20.0 110.851 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 22.2 t -59.55 -42.51 92.54 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.403 -0.362 . . . . 20.0 111.018 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -62.84 -50.29 71.52 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.517 -0.31 . . . . 20.0 111.226 -178.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 19.9 mt -66.84 -35.29 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-O 120.486 0.184 . . . . 20.0 110.655 -176.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -67.5 -44.42 78.52 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.729 -0.214 . . . . 20.0 111.004 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 23.6 t -74.77 -39.33 61.85 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.649 -0.251 . . . . 20.0 111.575 -175.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 72.3 t -93.03 -48.26 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 N-CA-C 111.517 0.192 . . . . 20.0 111.517 -170.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -100.02 -2.65 33.92 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 116.651 -0.249 . . . . 20.0 111.489 -172.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 1.7 t 56.85 35.77 26.77 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 120.892 0.377 . . . . 20.0 111.246 177.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -133.17 155.07 49.99 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.245 -0.434 . . . . 20.0 110.744 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -103.83 112.15 65.44 Favored Pre-proline 0 CA--C 1.553 1.069 0 CA-C-N 116.21 -0.45 . . . . 20.0 110.444 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.38 -16.44 39.15 Favored 'Trans proline' 0 CA--C 1.548 1.207 0 C-N-CA 122.338 2.025 . . . . 20.0 112.496 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 47.6 t -73.77 -9.69 58.92 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 116.589 -0.278 . . . . 20.0 111.239 176.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -82.15 -136.01 2.23 Favored Glycine 0 CA--C 1.539 1.537 0 N-CA-C 112.203 -0.359 . . . . 20.0 112.203 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -120.11 29.68 7.38 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 120.762 0.315 . . . . 20.0 111.198 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 35.1 p -88.05 -41.28 13.18 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.565 -0.289 . . . . 20.0 110.894 178.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 52.1 mttp 60.46 66.79 0.9 Allowed 'General case' 0 N--CA 1.492 1.668 0 CA-C-O 121.308 0.575 . . . . 20.0 110.77 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 7.4 mt -100.07 17.29 21.47 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 115.753 -0.658 . . . . 20.0 111.538 -174.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -148.01 166.75 26.8 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 120.937 0.398 . . . . 20.0 111.138 -178.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -142.1 137.74 31.2 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.96 -0.564 . . . . 20.0 110.604 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.89 123.75 38.54 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 116.406 -0.361 . . . . 20.0 110.565 -178.128 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -100.88 153.99 37.41 Favored Pre-proline 0 N--CA 1.481 1.122 0 CA-C-N 116.551 -0.295 . . . . 20.0 110.897 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -60.94 144.11 99.5 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 122.589 2.193 . . . . 20.0 112.584 -177.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -91.09 124.54 35.39 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.151 -0.477 . . . . 20.0 110.157 173.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -129.5 -8.97 4.62 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 111.862 0.319 . . . . 20.0 111.862 -173.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 90.9 p -66.4 -23.62 66.34 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 120.531 0.205 . . . . 20.0 111.25 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -141.64 167.08 23.0 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.441 -0.345 . . . . 20.0 110.405 173.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -93.43 89.85 6.49 Favored 'General case' 0 CA--C 1.558 1.253 0 CA-C-O 120.955 0.407 . . . . 20.0 111.974 -169.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 33.8 pt -105.17 171.89 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 CA-C-N 115.962 -0.563 . . . . 20.0 110.442 169.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -74.03 139.08 44.48 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.933 -0.395 . . . . 20.0 109.933 169.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -109.19 97.77 7.32 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.952 0.406 . . . . 20.0 110.888 -170.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -59.36 143.43 49.56 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.619 178.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -68.3 -9.96 51.33 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 116.341 -0.39 . . . . 20.0 111.629 -175.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -74.53 -17.2 60.78 Favored 'General case' 0 CA--C 1.56 1.356 0 O-C-N 122.396 -0.19 . . . . 20.0 111.073 174.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.13 -32.86 16.48 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 120.858 0.361 . . . . 20.0 110.224 169.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 62.4 m -76.37 -13.1 60.15 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 116.014 -0.539 . . . . 20.0 111.819 -173.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -152.96 164.41 38.01 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 120.742 0.306 . . . . 20.0 110.822 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -139.05 137.31 36.15 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.724 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 27.2 t . . . . . 0 N--CA 1.485 1.298 0 CA-C-N 116.203 -0.453 . . . . 20.0 111.263 -179.776 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.221 0 O4'-C4'-C3' 108.408 2.808 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.529 0 O4'-C4'-C3' 108.532 2.932 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.5 0 O5'-C5'-C4' 113.969 2.692 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.544 0 O5'-C5'-C4' 115.029 3.45 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 0 P-O3'-C3' 123.477 3.147 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.302 0 O5'-C5'-C4' 114.997 3.427 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.746 0 O5'-C5'-C4' 114.857 3.326 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.033 0 P-O3'-C3' 122.684 2.486 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.94 2 C1'-O4'-C4' 103.233 -4.619 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 0 C5'-C4'-C3' 109.512 -3.459 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.77 0 P-O3'-C3' 123.33 3.025 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.079 0 P-O3'-C3' 123.145 2.871 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.943 0 O4'-C4'-C3' 108.838 3.238 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.015 0 O4'-C4'-C3' 108.663 3.063 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.078 0 O4'-C4'-C3' 108.47 2.87 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.976 0 P-O3'-C3' 124.091 3.659 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.581 0 O5'-C5'-C4' 115.776 3.983 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.187 0 O4'-C4'-C3' 108.393 2.793 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.366 0 P-O3'-C3' 122.912 2.676 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.702 0 C1'-O4'-C4' 106.152 -2.534 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.706 0 O5'-C5'-C4' 114.338 2.956 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.361 0 O4'-C4'-C3' 108.716 3.116 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.511 0 O4'-C4'-C3' 108.614 3.014 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.638 0 C5'-C4'-O4' 114.15 2.969 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.767 0 O5'-C5'-C4' 115.37 3.693 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.287 0 O4'-C4'-C3' 107.831 2.231 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 27' ' ' ' DG' . . . . . 0.489 " H1'" ' C8 ' ' E' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.868 1 C1'-O4'-C4' 103.814 -4.204 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 28' ' ' ' DG' . . . . . 0.489 ' C8 ' " H1'" ' E' ' 27' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.313 2 P-O5'-C5' 128.942 5.026 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.874 0 O4'-C4'-C3' 107.748 2.148 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.628 0 O5'-C5'-C4' 113.751 2.536 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.916 0 O5'-C5'-C4' 115.351 3.679 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.49 1 P-O3'-C3' 125.953 5.211 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.126 0 P-O3'-C3' 124.361 3.884 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.457 0 P-O3'-C3' 123.246 2.955 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.54 0 P-O3'-C3' 123.167 2.889 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.589 0 O4'-C4'-C3' 108.634 3.034 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.521 0 O4'-C4'-C3' 108.531 2.931 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.283 0 P-O3'-C3' 122.879 2.649 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 703' ' ' ' ZN' . . . . . 0.816 'ZN ' ' HG ' ' A' ' 552' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.789 0 CA-C-O 120.912 0.387 . . . . 20.0 110.804 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -73.63 144.6 45.84 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 116.273 -0.421 . . . . 20.0 110.785 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -82.03 79.95 8.41 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 120.922 0.392 . . . . 20.0 110.485 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -134.43 124.83 26.3 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 115.952 -0.567 . . . . 20.0 110.655 -177.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 42.7 mtm -156.33 79.97 0.97 Allowed 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 116.149 -0.478 . . . . 20.0 110.387 174.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -88.71 56.79 3.89 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.088 0.47 . . . . 20.0 110.146 175.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 35.6 m -141.69 153.95 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 CA-C-N 115.812 -0.631 . . . . 20.0 111.314 -172.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -86.79 164.54 16.62 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 115.941 -0.572 . . . . 20.0 110.234 171.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -133.23 145.29 50.4 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 116.396 -0.365 . . . . 20.0 111.176 -176.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -99.6 22.78 10.37 Favored 'General case' 0 CA--C 1.557 1.224 0 CA-C-N 116.088 -0.505 . . . . 20.0 110.745 174.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 50.7 p-10 -79.4 8.86 5.44 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.045 -0.525 . . . . 20.0 111.275 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -159.42 175.99 12.65 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.06 0.457 . . . . 20.0 111.45 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -134.76 155.19 51.02 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.366 -0.834 . . . . 20.0 109.491 169.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -98.5 134.08 41.97 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.879 0.371 . . . . 20.0 110.836 -175.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 14.3 tp -133.33 115.76 15.29 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.988 -0.551 . . . . 20.0 110.34 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 34.6 mt -87.48 122.29 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-O 120.95 0.405 . . . . 20.0 110.434 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 44.0 t -136.49 128.26 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-N 115.829 -0.623 . . . . 20.0 110.204 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.1 t0 53.04 36.38 21.99 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 120.901 0.382 . . . . 20.0 111.213 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 80.19 0.34 85.9 Favored Glycine 0 CA--C 1.55 2.272 0 C-N-CA 121.547 -0.359 . . . . 20.0 112.95 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -107.79 136.33 47.7 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.491 0.316 . . . . 20.0 110.646 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 95.3 t -80.0 122.54 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-O 120.701 0.286 . . . . 20.0 110.231 173.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -106.38 152.12 24.0 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.239 -0.437 . . . . 20.0 110.193 172.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -117.08 119.17 34.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 20.0 110.018 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.1 mt -112.13 124.68 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 116.477 -0.328 . . . . 20.0 110.808 -171.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.6 t -63.56 137.2 58.03 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.283 -0.417 . . . . 20.0 110.564 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 29.4 pt -69.51 -38.86 77.71 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 CA-C-N 116.644 -0.253 . . . . 20.0 111.642 -176.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.01 -65.48 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 111.857 0.318 . . . . 20.0 111.857 -177.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 26.7 p -105.09 -4.59 21.73 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 116.05 -0.523 . . . . 20.0 112.374 -169.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt 59.28 38.07 23.36 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.56 0.344 . . . . 20.0 111.902 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -79.71 129.09 34.17 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 109.889 -0.412 . . . . 20.0 109.889 169.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 21.7 p -91.28 140.45 29.78 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 116.36 -0.382 . . . . 20.0 111.122 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -132.93 141.53 48.4 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.998 -0.546 . . . . 20.0 110.9 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 72.0 t -79.34 -19.28 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 116.166 -0.47 . . . . 20.0 110.898 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 85.1 m -132.67 136.42 46.44 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.729 0.299 . . . . 20.0 111.155 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.13 -34.92 74.19 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.348 -0.387 . . . . 20.0 110.835 176.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 36.0 p -55.22 -38.66 68.73 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 116.755 -0.202 . . . . 20.0 111.011 178.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 14.7 m -67.83 -41.2 83.36 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.496 -0.32 . . . . 20.0 110.898 177.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.63 -49.19 77.57 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.441 -0.345 . . . . 20.0 110.986 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -46.69 88.77 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.594 0.235 . . . . 20.0 110.584 -178.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -54.36 -46.22 72.92 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 116.187 -0.461 . . . . 20.0 110.777 173.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -70.72 -42.19 70.9 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 116.233 -0.44 . . . . 20.0 111.415 -173.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -59.7 -23.66 63.32 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 116.732 -0.213 . . . . 20.0 111.492 -172.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -58.79 -31.36 68.34 Favored 'General case' 0 CA--C 1.56 1.348 0 CA-C-O 120.583 0.23 . . . . 20.0 111.013 175.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 26.4 mt -65.22 -18.92 24.7 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.376 0 CA-C-O 120.597 0.236 . . . . 20.0 111.055 178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -101.11 -45.84 5.26 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 120.611 0.243 . . . . 20.0 111.163 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 92.5 p -78.98 -35.03 43.64 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.487 -0.324 . . . . 20.0 111.538 -173.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 69.4 m95 52.11 36.52 19.2 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-O 121.109 0.48 . . . . 20.0 110.997 -173.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -66.15 -34.66 78.54 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.899 -0.591 . . . . 20.0 111.413 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -131.58 135.01 46.64 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.326 -0.397 . . . . 20.0 110.398 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -95.09 143.04 26.86 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 116.333 -0.394 . . . . 20.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -124.67 79.89 62.41 Favored Pre-proline 0 CA--C 1.554 1.105 0 CA-C-N 116.073 -0.512 . . . . 20.0 110.32 173.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 523' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 530' ' ' VAL . 80.3 Cg_endo -78.27 159.62 29.62 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.884 2.389 . . . . 20.0 112.769 -176.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 49.9 t -88.51 143.75 26.77 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.835 -0.62 . . . . 20.0 110.598 174.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -73.28 -40.07 64.86 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-O 120.677 0.275 . . . . 20.0 111.337 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -88.36 -13.64 40.14 Favored 'General case' 0 CA--C 1.557 1.246 0 N-CA-C 112.336 0.495 . . . . 20.0 112.336 -169.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.2 p -145.02 173.66 11.7 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 120.902 0.382 . . . . 20.0 111.031 176.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -87.89 7.16 32.11 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 112.16 0.43 . . . . 20.0 112.16 -170.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -69.34 146.62 52.02 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 120.853 0.359 . . . . 20.0 111.254 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 530' ' ' VAL . . . . . 0.42 ' HA ' ' HA ' ' A' ' 523' ' ' PRO . 12.2 t -122.98 128.46 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 115.755 -0.657 . . . . 20.0 110.169 169.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -105.73 150.54 39.25 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-N 116.121 -0.49 . . . . 20.0 110.517 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.98 -2.04 11.56 Favored 'Trans proline' 0 CA--C 1.556 1.593 0 C-N-CA 122.8 2.333 . . . . 20.0 112.636 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.4 mp -135.24 142.46 45.98 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.442 -0.345 . . . . 20.0 110.227 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -69.63 -44.2 71.13 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.666 0.269 . . . . 20.0 110.931 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -58.59 -33.24 69.76 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 116.583 -0.28 . . . . 20.0 111.064 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -66.83 -45.11 79.26 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.585 -0.28 . . . . 20.0 111.248 -178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.62 -26.29 61.62 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 120.988 -0.285 . . . . 20.0 110.799 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 4.2 m -65.37 -58.35 6.11 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.595 0.236 . . . . 20.0 110.557 175.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -63.3 -29.64 70.92 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 116.715 -0.221 . . . . 20.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -69.33 -42.61 75.12 Favored 'General case' 0 CA--C 1.555 1.162 0 CA-C-O 120.62 0.248 . . . . 20.0 110.919 174.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -67.63 -31.51 71.57 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.869 -0.15 . . . . 20.0 111.037 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 28.1 mt -61.72 -29.49 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 CA-C-O 120.725 0.298 . . . . 20.0 110.405 171.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 543' ' ' HIS . . . . . 0.505 ' HA ' HD11 ' A' ' 560' ' ' ILE . 3.3 t-80 -75.43 -25.11 57.24 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 116.336 -0.393 . . . . 20.0 111.144 175.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -79.48 -42.14 25.92 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 116.779 -0.191 . . . . 20.0 110.962 175.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 82.6 p -73.35 -32.72 64.69 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 120.668 0.271 . . . . 20.0 110.989 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 86.8 11.34 70.87 Favored Glycine 0 CA--C 1.54 1.612 0 CA-C-N 116.424 -0.353 . . . . 20.0 112.386 -178.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -58.08 107.25 0.45 Allowed 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 120.816 0.341 . . . . 20.0 111.25 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -81.98 128.39 34.03 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 116.369 -0.378 . . . . 20.0 110.094 173.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -130.22 -32.97 1.75 Allowed 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 116.137 -0.483 . . . . 20.0 111.899 -169.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -91.72 98.55 11.69 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.765 0.317 . . . . 20.0 110.393 -177.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -97.18 128.32 43.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.385 -0.371 . . . . 20.0 110.867 -176.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 48.0 t -68.05 144.86 54.92 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.161 -0.472 . . . . 20.0 110.073 171.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 86.0 mt -101.37 -16.43 16.89 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 116.7 -0.227 . . . . 20.0 111.252 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.09 -47.91 26.43 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 116.681 -0.236 . . . . 20.0 111.132 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.8 p -119.99 -3.15 10.17 Favored 'General case' 0 CA--C 1.563 1.453 0 N-CA-C 112.07 0.396 . . . . 20.0 112.07 -175.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 80.19 0.09 85.24 Favored Glycine 0 CA--C 1.557 2.676 0 C-N-CA 121.088 -0.577 . . . . 20.0 113.568 173.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -72.62 140.08 47.77 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 117.347 0.574 . . . . 20.0 110.967 -177.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 15.3 m -103.77 147.13 27.63 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 116.39 -0.368 . . . . 20.0 111.215 -176.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -132.12 159.73 38.05 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.928 -0.578 . . . . 20.0 110.737 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.505 HD11 ' HA ' ' A' ' 543' ' ' HIS . 15.5 tt -84.44 -24.14 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 CA-C-N 116.242 -0.435 . . . . 20.0 111.883 -170.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.9 p30 -151.33 172.63 15.59 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-O 120.944 0.402 . . . . 20.0 110.902 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -64.35 -41.66 96.63 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.069 -0.514 . . . . 20.0 111.139 -176.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.7 mp0 -59.14 -45.42 91.0 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 116.602 -0.272 . . . . 20.0 111.138 -173.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -65.13 -44.26 89.25 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.663 -0.244 . . . . 20.0 110.835 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -59.69 -46.9 87.67 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 120.682 0.277 . . . . 20.0 110.87 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 29.2 t -60.6 -47.16 87.46 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.47 -0.332 . . . . 20.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 24.6 t -58.44 -42.34 87.12 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.462 -0.335 . . . . 20.0 110.904 177.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -63.53 -50.78 68.19 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.363 -0.38 . . . . 20.0 111.128 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 20.6 mt -65.75 -35.9 76.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-O 120.587 0.232 . . . . 20.0 110.75 -176.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -68.24 -45.39 73.36 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 116.656 -0.247 . . . . 20.0 111.176 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 35.4 p -78.18 -33.62 50.05 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 111.791 0.293 . . . . 20.0 111.791 -174.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 69.9 t -95.13 -49.15 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 CA-C-O 120.497 0.189 . . . . 20.0 111.44 -173.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -100.03 -1.72 36.27 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 116.709 -0.223 . . . . 20.0 111.558 -173.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 8.6 t 56.49 35.62 26.28 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 120.845 0.355 . . . . 20.0 111.475 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -134.79 156.91 48.05 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.319 -0.401 . . . . 20.0 110.925 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -98.94 131.74 24.95 Favored Pre-proline 0 CA--C 1.551 0.981 0 CA-C-N 116.169 -0.469 . . . . 20.0 110.447 175.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -73.81 -25.43 14.49 Favored 'Trans proline' 0 CA--C 1.55 1.298 0 C-N-CA 122.567 2.178 . . . . 20.0 112.717 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 31.7 t -86.5 -10.51 53.96 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 120.738 0.304 . . . . 20.0 111.433 -178.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -82.49 -157.82 22.59 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 121.371 -0.442 . . . . 20.0 112.268 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -83.39 89.99 7.11 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 120.823 0.344 . . . . 20.0 110.153 172.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 93.1 p -160.05 -59.96 0.06 Allowed 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 116.172 -0.467 . . . . 20.0 111.05 -174.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 58.06 66.58 1.08 Allowed 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.214 0.53 . . . . 20.0 110.627 -175.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 5.9 mt -102.76 17.6 23.46 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 115.686 -0.688 . . . . 20.0 111.641 -172.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -145.99 158.72 43.86 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 121.049 0.452 . . . . 20.0 111.469 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -138.32 138.39 38.3 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 115.671 -0.695 . . . . 20.0 110.326 177.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.5 tt -100.37 124.35 45.76 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 116.496 -0.32 . . . . 20.0 110.655 -177.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -98.24 151.18 37.39 Favored Pre-proline 0 CA--C 1.555 1.14 0 CA-C-N 116.358 -0.383 . . . . 20.0 110.698 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -63.92 157.73 51.05 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 122.464 2.109 . . . . 20.0 112.594 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 42.0 t -101.44 136.31 41.49 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.502 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.11 -11.52 1.47 Allowed 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 116.4 -0.364 . . . . 20.0 111.599 -177.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 18.8 p -68.44 -25.56 65.07 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 111.676 0.25 . . . . 20.0 111.676 -177.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.4 pp -137.71 168.87 18.81 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-O 120.803 0.335 . . . . 20.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -89.18 105.47 17.81 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 116.169 -0.468 . . . . 20.0 111.463 -170.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 26.0 pt -146.05 170.68 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 CA-C-N 115.763 -0.653 . . . . 20.0 109.954 170.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -70.87 174.67 5.82 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.681 -0.488 . . . . 20.0 109.681 169.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -150.04 151.81 33.84 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 120.841 0.353 . . . . 20.0 110.645 176.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -96.5 145.83 25.34 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.962 -0.563 . . . . 20.0 110.645 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.59 -9.94 40.47 Favored 'General case' 0 CA--C 1.556 1.184 0 CA-C-N 116.492 -0.322 . . . . 20.0 111.729 -177.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -77.74 -12.54 59.98 Favored 'General case' 0 CA--C 1.56 1.333 0 O-C-N 122.441 -0.162 . . . . 20.0 111.274 175.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -90.08 -31.16 17.26 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 120.704 0.288 . . . . 20.0 110.589 169.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 1.4 t -88.47 -10.51 48.84 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 116.111 -0.495 . . . . 20.0 111.881 -171.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -153.33 168.38 26.22 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-O 120.834 0.349 . . . . 20.0 111.075 -176.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -58.14 151.89 18.07 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 116.166 -0.47 . . . . 20.0 111.141 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 32.5 t . . . . . 0 N--CA 1.484 1.271 0 CA-C-N 116.039 -0.528 . . . . 20.0 111.165 178.454 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.107 0 O5'-C5'-C4' 114.42 3.014 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.191 1 O5'-C5'-C4' 116.086 4.204 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.62 0 O5'-C5'-C4' 114.312 2.937 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.702 0 O5'-C5'-C4' 115.044 3.46 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.559 0 O5'-C5'-C4' 115.007 3.433 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.085 0 P-O3'-C3' 124.163 3.719 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.228 0 O5'-C5'-C4' 115.19 3.564 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.053 0 P-O3'-C3' 122.941 2.7 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.615 2 C3'-C2'-C1' 96.561 -4.385 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.031 0 C5'-C4'-C3' 109.752 -3.299 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.311 0 P-O3'-C3' 123.267 2.973 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.246 0 C3'-C2'-C1' 106.683 2.845 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.403 0 P-O3'-C3' 123.72 3.35 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.564 0 O5'-C5'-C4' 115.643 3.888 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.643 0 O5'-C5'-C4' 114.271 2.908 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.234 0 O4'-C4'-C3' 108.36 2.76 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.212 0 O4'-C4'-C3' 108.884 3.284 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.134 0 O4'-C4'-C3' 108.617 3.017 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.479 0 C1'-O4'-C4' 106.162 -2.527 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.479 0 C1'-O4'-C4' 106.037 -2.616 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.878 0 O5'-C5'-C4' 113.997 2.712 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.366 0 P-O3'-C3' 123.008 2.757 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.657 0 P-O3'-C3' 123.385 3.071 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.053 0 O4'-C4'-C3' 108.338 2.738 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.651 1 P-O3'-C3' 124.999 4.416 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 0 P-O3'-C3' 123.187 2.906 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.014 2 C3'-C2'-C1' 95.305 -5.282 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.407 -1.874 0 C4'-C3'-O3' 103.859 -2.928 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.573 -2.814 0 C1'-O4'-C4' 105.523 -2.984 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.078 0 O4'-C4'-C3' 108.091 2.491 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.363 0 C1'-O4'-C4' 104.7 -3.572 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.441 1 P-O3'-C3' 125.127 4.523 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.907 0 P-O3'-C3' 124.169 3.724 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.483 0 P-O3'-C3' 123.265 2.971 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.565 0 O4'-C4'-C3' 108.574 2.974 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.451 0 O4'-C4'-C3' 108.596 2.996 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.548 0 O4'-C4'-C3' 108.531 2.931 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.183 0 P-O3'-C3' 122.881 2.651 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.883 0 CA-C-O 120.939 0.399 . . . . 20.0 110.991 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -72.96 151.1 41.98 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 116.215 -0.448 . . . . 20.0 110.763 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -70.02 148.82 48.37 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.157 -0.474 . . . . 20.0 110.791 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.66 131.47 41.38 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.804 -178.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 28.9 ttm -161.5 157.99 25.82 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 116.122 -0.49 . . . . 20.0 110.568 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -135.66 57.1 1.8 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.094 0.473 . . . . 20.0 110.773 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 21.7 m -106.78 162.44 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-N 115.923 -0.581 . . . . 20.0 110.73 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -86.94 162.54 17.63 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 116.44 -0.345 . . . . 20.0 110.726 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -123.43 149.57 44.88 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 116.112 -0.495 . . . . 20.0 111.106 -172.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -83.16 60.11 5.34 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 116.166 -0.47 . . . . 20.0 111.137 -174.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 13.8 p30 -117.03 12.46 14.58 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 115.971 -0.558 . . . . 20.0 111.595 -175.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 483' ' ' HIS . . . . . 0.556 ' HB3' HD21 ' A' ' 509' ' ' LEU . 56.4 p-80 -161.83 176.56 10.74 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.91 0.386 . . . . 20.0 111.412 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -139.28 160.92 38.69 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.781 -0.645 . . . . 20.0 110.3 171.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -100.19 136.38 40.18 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 120.876 0.369 . . . . 20.0 110.826 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.2 tp -134.73 117.39 15.95 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.067 -0.515 . . . . 20.0 110.29 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 29.4 mt -88.05 123.04 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 120.905 0.384 . . . . 20.0 110.57 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 39.3 t -138.38 129.58 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 115.857 -0.611 . . . . 20.0 110.165 -178.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.75 36.38 21.03 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-O 120.945 0.402 . . . . 20.0 111.217 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 78.81 5.01 88.6 Favored Glycine 0 CA--C 1.55 2.258 0 C-N-CA 121.505 -0.378 . . . . 20.0 112.958 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 23.8 mtt180 -113.51 136.85 52.35 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.516 0.326 . . . . 20.0 110.709 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 98.6 t -80.75 119.61 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 110.256 -0.276 . . . . 20.0 110.256 174.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -101.04 149.82 23.54 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.249 -0.432 . . . . 20.0 110.3 173.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -113.99 117.09 30.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 20.0 110.004 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.1 mt -114.0 129.46 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-O 120.946 0.403 . . . . 20.0 111.026 -169.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.9 t -66.72 137.97 57.06 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.092 -0.504 . . . . 20.0 110.65 176.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 37.8 pt -70.0 -39.62 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 111.733 0.271 . . . . 20.0 111.733 -176.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.98 -63.84 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 N-CA-C 111.916 0.339 . . . . 20.0 111.916 -176.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 27.1 p -105.09 -5.0 21.22 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.495 0.554 . . . . 20.0 112.495 -169.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 58.2 38.09 26.24 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 122.531 0.332 . . . . 20.0 111.759 -177.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -78.7 132.76 37.12 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 109.975 -0.38 . . . . 20.0 109.975 169.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 32.0 p -96.07 134.3 39.28 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 120.805 0.336 . . . . 20.0 111.194 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -126.22 142.1 51.66 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.777 -0.647 . . . . 20.0 110.977 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 75.5 t -84.7 -16.18 10.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.798 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 96.6 m -132.19 132.25 42.97 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.522 -0.308 . . . . 20.0 110.855 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 20.7 mt -60.5 -37.51 81.33 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 116.398 -0.365 . . . . 20.0 111.114 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 23.6 p -53.91 -44.07 70.24 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 120.642 0.258 . . . . 20.0 111.081 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 29.4 m -69.74 -33.43 72.45 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.608 -0.269 . . . . 20.0 111.081 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.556 HD21 ' HB3' ' A' ' 483' ' ' HIS . 4.0 tp -64.38 -46.75 81.97 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 116.703 -0.226 . . . . 20.0 111.019 176.29 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -58.14 -48.64 79.63 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 120.884 0.374 . . . . 20.0 110.146 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -55.91 -43.1 77.0 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 115.751 -0.659 . . . . 20.0 111.061 176.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -67.27 -45.29 77.06 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 116.439 -0.346 . . . . 20.0 111.288 -177.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -59.51 -23.02 62.46 Favored 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 111.598 0.222 . . . . 20.0 111.598 -174.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.05 -26.77 60.9 Favored 'General case' 0 CA--C 1.567 1.62 0 C-N-CA 122.336 0.254 . . . . 20.0 111.34 175.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 42.6 mt -74.18 -20.85 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 122.369 0.268 . . . . 20.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -94.24 -42.62 8.85 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.638 0.256 . . . . 20.0 110.994 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 87.2 p -72.82 -36.16 67.47 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.497 -0.319 . . . . 20.0 111.28 -177.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 64.3 m95 50.57 32.2 6.49 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-O 121.195 0.522 . . . . 20.0 110.512 -169.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -70.7 -30.82 67.48 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.964 -0.562 . . . . 20.0 110.65 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -138.43 108.66 6.44 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 116.144 -0.48 . . . . 20.0 110.562 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 521' ' ' LYS . . . . . 0.504 ' HB2' ' CG1' ' A' ' 530' ' ' VAL . 13.4 ptpt -94.64 163.53 13.34 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.809 0.338 . . . . 20.0 110.702 174.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -127.88 81.85 69.52 Favored Pre-proline 0 CA--C 1.55 0.98 0 CA-C-N 116.021 -0.536 . . . . 20.0 110.71 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -67.3 130.97 23.72 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.666 2.244 . . . . 20.0 112.248 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 51.1 t -65.07 144.27 57.37 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 116.265 -0.425 . . . . 20.0 110.805 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -75.59 -40.04 57.11 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 120.772 0.32 . . . . 20.0 110.846 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -84.65 -21.11 30.37 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 115.926 -0.579 . . . . 20.0 112.077 -169.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.7 p -141.8 169.2 18.05 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 120.814 0.34 . . . . 20.0 110.787 174.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -86.26 9.44 17.72 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 112.603 0.594 . . . . 20.0 112.603 -169.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -81.34 159.19 24.47 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 120.94 0.4 . . . . 20.0 111.259 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 530' ' ' VAL . . . . . 0.504 ' CG1' ' HB2' ' A' ' 521' ' ' LYS . 39.9 t -123.54 140.26 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 115.933 -0.576 . . . . 20.0 111.034 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -110.84 145.77 33.05 Favored Pre-proline 0 CA--C 1.545 0.786 0 CA-C-N 115.967 -0.56 . . . . 20.0 110.63 173.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -85.53 -7.45 8.72 Favored 'Trans proline' 0 CA--C 1.55 1.312 0 C-N-CA 122.826 2.351 . . . . 20.0 112.783 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 5.5 mp -130.25 146.03 51.82 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.355 -0.384 . . . . 20.0 110.109 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -65.32 -42.34 93.06 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.638 -0.255 . . . . 20.0 111.362 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -68.7 -34.75 76.18 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 122.398 -0.188 . . . . 20.0 110.955 -177.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -64.35 -34.84 79.08 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 110.395 -0.224 . . . . 20.0 110.395 174.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 537' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 538' ' ' THR . 0.1 OUTLIER -61.2 -61.85 2.26 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 116.39 -0.368 . . . . 20.0 110.449 171.027 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 538' ' ' THR . . . . . 0.407 ' N ' ' HD2' ' A' ' 537' ' ' ARG . 25.5 m -49.32 -54.28 17.87 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 115.921 -0.581 . . . . 20.0 111.184 -177.181 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -65.26 -31.04 71.98 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 116.38 -0.373 . . . . 20.0 110.98 -170.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -71.48 -42.21 68.36 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 116.663 -0.244 . . . . 20.0 111.036 172.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -68.91 -26.6 65.17 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 122.332 -0.23 . . . . 20.0 111.074 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 34.7 mt -66.72 -30.73 50.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-O 120.65 0.262 . . . . 20.0 110.428 169.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 543' ' ' HIS . . . . . 0.432 ' HA ' HD11 ' A' ' 560' ' ' ILE . 4.7 t-80 -73.45 -25.27 60.42 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 116.416 -0.356 . . . . 20.0 111.061 175.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -80.56 -44.57 18.8 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-O 120.621 0.248 . . . . 20.0 110.983 175.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 19.4 p -81.3 -23.95 37.53 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 116.463 -0.335 . . . . 20.0 111.497 -174.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 83.92 8.39 84.24 Favored Glycine 0 CA--C 1.544 1.869 0 C-N-CA 121.545 -0.36 . . . . 20.0 112.823 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -53.72 115.35 1.94 Allowed 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 120.906 0.384 . . . . 20.0 111.062 -177.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 56.5 mmt-85 -82.95 88.44 6.83 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.339 -0.391 . . . . 20.0 110.668 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 52.9 mmm-85 -72.34 -43.77 63.59 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 116.238 -0.437 . . . . 20.0 111.254 -177.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -106.4 115.86 30.94 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.403 -0.362 . . . . 20.0 110.889 -171.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -108.57 135.18 50.26 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.48 -0.327 . . . . 20.0 110.707 178.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 34.2 t -71.75 152.61 42.6 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.432 -0.349 . . . . 20.0 110.264 174.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 93.8 mt -113.93 -18.28 11.8 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.632 -0.258 . . . . 20.0 111.361 -178.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.11 -46.47 34.32 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 120.499 0.19 . . . . 20.0 110.943 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.0 p -119.96 -2.1 10.33 Favored 'General case' 0 CA--C 1.562 1.407 0 N-CA-C 111.774 0.287 . . . . 20.0 111.774 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 82.47 -7.07 65.96 Favored Glycine 0 CA--C 1.554 2.493 0 C-N-CA 121.25 -0.5 . . . . 20.0 113.433 172.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -65.01 137.89 58.01 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 117.135 0.467 . . . . 20.0 111.163 -175.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 20.1 m -98.87 137.24 37.72 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.186 -0.461 . . . . 20.0 111.174 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -122.7 158.88 29.11 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 116.074 -0.512 . . . . 20.0 110.928 -178.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.432 HD11 ' HA ' ' A' ' 543' ' ' HIS . 15.8 tt -89.26 -25.61 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.228 0 CA-C-N 116.13 -0.487 . . . . 20.0 111.839 -170.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 41.9 p30 -151.26 170.63 19.02 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 120.917 0.389 . . . . 20.0 111.243 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -66.72 -35.3 79.79 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 116.137 -0.483 . . . . 20.0 111.297 -175.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -61.95 -46.95 87.05 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 120.699 0.285 . . . . 20.0 110.978 -175.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -68.56 -43.36 76.78 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.491 -0.322 . . . . 20.0 110.823 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 16.6 ttp -58.14 -49.22 77.74 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 120.675 0.274 . . . . 20.0 111.077 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 47.6 t -60.85 -46.66 89.71 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.614 -0.266 . . . . 20.0 110.819 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 22.9 t -58.73 -42.03 87.83 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.425 -0.352 . . . . 20.0 110.896 177.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -63.77 -48.85 75.27 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.426 -0.352 . . . . 20.0 111.089 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.98 -44.06 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-O 120.561 0.22 . . . . 20.0 110.658 -178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.36 -38.76 85.3 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.517 -0.311 . . . . 20.0 111.185 -178.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 22.8 t -79.73 -38.99 32.11 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 111.632 0.234 . . . . 20.0 111.632 -176.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 75.2 t -94.45 -46.43 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 CA-C-N 116.748 -0.206 . . . . 20.0 111.489 -170.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -100.03 -6.82 25.84 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.638 -0.255 . . . . 20.0 111.361 -174.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 2.3 t 56.16 38.39 29.8 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 120.966 0.412 . . . . 20.0 111.194 176.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -129.42 161.72 29.71 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.106 0.479 . . . . 20.0 111.024 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -102.41 119.25 56.77 Favored Pre-proline 0 CA--C 1.554 1.127 0 CA-C-N 115.84 -0.618 . . . . 20.0 110.582 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -56.74 -23.25 48.82 Favored 'Trans proline' 0 CA--C 1.555 1.528 0 C-N-CA 122.77 2.313 . . . . 20.0 112.88 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 42.2 t -85.01 5.25 30.17 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 122.503 0.321 . . . . 20.0 111.464 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -82.06 -149.58 7.66 Favored Glycine 0 CA--C 1.543 1.833 0 C-N-CA 121.671 -0.299 . . . . 20.0 112.45 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -117.58 29.47 7.84 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 120.905 0.383 . . . . 20.0 111.237 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 581' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 582' ' ' LYS . 9.2 p -122.26 0.88 9.61 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 116.235 -0.439 . . . . 20.0 111.062 -177.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 582' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 581' ' ' SER . 30.0 mmmt 8.65 90.05 0.01 OUTLIER 'General case' 0 N--CA 1.525 3.298 0 C-N-CA 123.797 0.839 . . . . 20.0 112.555 -174.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 1.6 mp -89.44 22.07 3.1 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 115.903 -0.59 . . . . 20.0 111.556 -173.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -146.53 156.46 43.27 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 121.02 0.438 . . . . 20.0 111.43 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -126.44 134.92 50.85 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.619 -0.719 . . . . 20.0 110.099 175.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 tt -96.21 122.68 39.32 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 116.389 -0.368 . . . . 20.0 110.407 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -96.29 155.74 37.72 Favored Pre-proline 0 CA--C 1.553 1.076 0 CA-C-N 116.28 -0.418 . . . . 20.0 110.674 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -66.11 152.61 80.8 Favored 'Trans proline' 0 CA--C 1.547 1.137 0 C-N-CA 122.47 2.113 . . . . 20.0 112.129 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 12.3 t -88.98 122.89 32.78 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.627 -0.26 . . . . 20.0 110.834 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -117.26 -29.72 5.8 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 116.296 -0.411 . . . . 20.0 111.585 -172.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 50.1 m -71.2 -27.01 63.19 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 112.289 0.477 . . . . 20.0 112.289 -169.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.3 pp -140.81 168.08 20.66 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 120.878 0.37 . . . . 20.0 111.265 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -91.38 111.73 23.35 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 116.02 -0.536 . . . . 20.0 111.56 -170.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 25.9 pt -143.98 169.88 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 CA-C-N 115.658 -0.701 . . . . 20.0 109.893 169.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 5.2 ptt-85 -69.38 171.87 7.99 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.75 -0.463 . . . . 20.0 109.75 170.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -148.29 152.47 37.18 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 120.981 0.419 . . . . 20.0 110.965 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 597' ' ' TYR . . . . . 0.531 ' H ' HD23 ' A' ' 600' ' ' LEU . 89.2 m-85 -103.67 152.13 22.15 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.707 -0.679 . . . . 20.0 110.647 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.19 -9.98 37.1 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 116.527 -0.306 . . . . 20.0 111.788 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -78.21 -17.26 56.99 Favored 'General case' 0 CA--C 1.56 1.36 0 O-C-N 122.37 -0.206 . . . . 20.0 111.045 174.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 600' ' ' LEU . . . . . 0.531 HD23 ' H ' ' A' ' 597' ' ' TYR . 0.6 OUTLIER -83.32 -27.13 29.98 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 109.922 -0.399 . . . . 20.0 109.922 169.272 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 67.9 m -71.21 -2.85 17.34 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-N 115.921 -0.581 . . . . 20.0 111.455 -178.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -144.17 167.7 21.79 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 122.591 0.356 . . . . 20.0 110.369 176.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -62.56 116.97 5.6 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 120.738 0.304 . . . . 20.0 110.771 -178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 N--CA 1.48 1.05 0 CA-C-N 116.076 -0.511 . . . . 20.0 110.795 -179.228 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.175 0 O5'-C5'-C4' 114.185 2.846 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.722 0 O4'-C4'-C3' 108.562 2.962 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.556 0 O5'-C5'-C4' 114.125 2.804 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.55 0 O5'-C5'-C4' 115.097 3.498 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.383 0 O4'-C4'-C3' 109.483 3.883 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.671 1 P-O3'-C3' 124.686 4.155 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.55 0 O4'-C4'-C3' 109.295 3.695 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.023 0 O4'-C4'-C3' 108.895 3.295 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.793 1 C3'-C2'-C1' 96.11 -4.707 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.282 0 C5'-C4'-C3' 110.194 -3.004 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.521 0 O5'-C5'-C4' 113.923 2.659 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.192 0 O5'-C5'-C4' 114.144 2.817 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.277 0 P-O3'-C3' 123.788 3.406 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.611 0 O5'-C5'-C4' 115.502 3.787 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.321 0 O4'-C4'-C3' 108.218 2.618 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.449 0 O4'-C4'-C3' 108.276 2.676 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.02 0 P-O3'-C3' 123.451 3.126 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.901 0 O4'-C4'-C3' 108.579 2.979 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.366 0 P-O3'-C3' 122.624 2.437 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.018 0 O4'-C4'-C3' 108.975 3.375 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.475 0 O4'-C4'-C3' 108.228 2.628 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.289 0 P-O3'-C3' 123.278 2.982 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.64 0 P-O3'-C3' 123.42 3.1 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.492 0 O4'-C4'-C3' 108.267 2.667 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.465 0 O5'-C5'-C4' 114.241 2.886 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.814 0 O5'-C5'-C4' 115.382 3.702 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 27' ' ' ' DG' . . . . . 0.47 " H1'" ' C8 ' ' E' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.355 1 C3'-C2'-C1' 96.636 -4.331 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 28' ' ' ' DG' . . . . . 0.47 ' C8 ' " H1'" ' E' ' 27' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.409 -1.686 0 P-O5'-C5' 126.775 3.672 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.817 0 O5'-C5'-C4' 114.491 3.065 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.183 0 P-O3'-C3' 123.268 2.974 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.048 1 O5'-C5'-C4' 116.275 4.34 . . . . 20.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.052 1 P-O3'-C3' 124.979 4.399 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.613 0 O4'-C4'-C3' 108.994 3.394 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.489 0 P-O3'-C3' 123.286 2.989 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.527 0 O4'-C4'-C3' 108.629 3.029 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.466 0 O4'-C4'-C3' 108.687 3.087 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.649 0 O4'-C4'-C3' 108.657 3.057 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.208 0 P-O3'-C3' 122.857 2.631 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 5.2 p30 . . . . . 0 CA--C 1.557 1.237 0 CA-C-O 120.764 0.316 . . . . 20.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 483' ' ' HIS . . . . . 0.41 ' HB3' HD21 ' A' ' 509' ' ' LEU . 54.9 p-80 -161.06 176.41 11.38 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 116.376 -0.375 . . . . 20.0 110.731 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -138.64 157.97 45.13 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.169 -0.468 . . . . 20.0 110.574 171.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -99.55 141.52 32.24 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.325 -0.398 . . . . 20.0 110.795 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 22.1 tp -137.37 113.82 10.19 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.078 -0.51 . . . . 20.0 110.334 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 27.9 mt -84.86 122.81 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 120.868 0.366 . . . . 20.0 110.515 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 48.2 t -134.66 123.98 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 115.936 -0.574 . . . . 20.0 110.113 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 38.4 t0 50.48 40.27 22.84 Favored 'General case' 0 CA--C 1.564 1.498 0 CA-C-O 121.066 0.46 . . . . 20.0 111.068 -177.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.31 -26.61 6.86 Favored Glycine 0 CA--C 1.547 2.052 0 CA-C-N 116.184 -0.462 . . . . 20.0 112.848 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 59.2 mtm-85 -80.34 132.6 35.82 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 120.638 0.256 . . . . 20.0 111.045 -177.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 84.8 t -80.01 117.86 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 116.462 -0.336 . . . . 20.0 110.103 170.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.0 m-30 -100.9 155.14 18.12 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.334 -0.394 . . . . 20.0 110.225 173.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -118.54 127.26 53.45 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.132 -0.485 . . . . 20.0 110.021 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.6 mt -121.01 130.45 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-O 120.915 0.388 . . . . 20.0 111.116 -169.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 5.9 t -67.06 138.45 57.16 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.982 -0.554 . . . . 20.0 110.584 175.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 26.2 pt -70.28 -39.37 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 111.646 0.239 . . . . 20.0 111.646 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.85 -63.82 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 111.954 0.353 . . . . 20.0 111.954 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.3 p -105.07 -4.53 21.83 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.386 0.513 . . . . 20.0 112.386 -169.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 57.2 35.39 26.13 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 122.654 0.382 . . . . 20.0 111.856 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -76.8 131.57 38.74 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.932 -0.395 . . . . 20.0 109.932 169.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 32.9 p -93.1 146.12 23.89 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.978 0.418 . . . . 20.0 111.132 -177.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -138.5 140.82 39.31 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.782 -0.644 . . . . 20.0 110.931 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 74.1 t -80.3 -16.84 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 115.96 -0.564 . . . . 20.0 111.125 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 73.2 m -134.73 136.0 42.36 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 116.488 -0.323 . . . . 20.0 111.07 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 21.7 mt -61.31 -38.94 88.64 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 116.341 -0.391 . . . . 20.0 110.857 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 7.5 p -52.32 -45.49 65.62 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-O 120.886 0.374 . . . . 20.0 110.873 176.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 3.7 t -64.98 -40.16 94.57 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.188 -0.46 . . . . 20.0 110.97 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 483' ' ' HIS . 4.9 tp -62.81 -46.12 89.44 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 116.279 -0.418 . . . . 20.0 111.127 178.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -59.66 -46.58 88.6 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 120.801 0.334 . . . . 20.0 110.311 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -54.79 -42.79 72.19 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.883 -0.598 . . . . 20.0 111.056 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -69.6 -43.99 71.67 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 116.33 -0.395 . . . . 20.0 111.401 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -59.4 -22.83 61.99 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 111.667 0.247 . . . . 20.0 111.667 -173.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -22.24 64.27 Favored 'General case' 0 CA--C 1.568 1.66 0 C-N-CA 122.105 0.162 . . . . 20.0 111.237 177.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 49.4 mt -74.85 -19.37 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 122.301 0.24 . . . . 20.0 111.06 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -98.75 -42.67 7.1 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.583 0.23 . . . . 20.0 111.078 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 87.9 p -72.23 -36.94 69.25 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.514 -0.312 . . . . 20.0 111.305 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 61.4 m95 51.23 31.24 6.62 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.269 0.556 . . . . 20.0 110.298 -169.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.11 -33.3 75.17 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.724 -0.671 . . . . 20.0 110.674 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -127.77 116.19 19.83 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.081 -0.509 . . . . 20.0 110.419 177.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -88.79 146.34 25.06 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.158 -0.474 . . . . 20.0 110.505 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -121.75 80.0 40.3 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-N 116.114 -0.494 . . . . 20.0 110.423 176.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -75.82 146.72 30.12 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.759 2.306 . . . . 20.0 112.416 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 14.2 t -71.84 170.35 13.86 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-N 115.919 -0.582 . . . . 20.0 110.782 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.16 -40.22 7.29 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 116.387 -0.369 . . . . 20.0 110.754 175.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -85.72 -17.96 34.45 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.968 -0.56 . . . . 20.0 111.536 -172.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 18.1 p -141.96 170.28 16.02 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-O 120.838 0.352 . . . . 20.0 110.811 175.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -84.99 7.58 20.8 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 116.371 -0.377 . . . . 20.0 111.8 -174.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -66.77 149.49 50.48 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 120.695 0.283 . . . . 20.0 111.07 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 14.9 t -127.16 138.31 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 CA-C-N 116.25 -0.432 . . . . 20.0 110.814 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -111.62 152.5 44.1 Favored Pre-proline 0 CA--C 1.546 0.79 0 CA-C-N 115.937 -0.574 . . . . 20.0 110.652 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -84.69 -7.39 9.6 Favored 'Trans proline' 0 CA--C 1.553 1.432 0 C-N-CA 122.849 2.366 . . . . 20.0 112.736 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.2 mp -132.19 144.43 50.66 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.528 0.331 . . . . 20.0 110.223 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.01 88.31 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 116.499 -0.319 . . . . 20.0 110.989 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -65.67 -37.06 85.44 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 116.686 -0.233 . . . . 20.0 111.04 -176.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -60.62 -41.89 95.75 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.617 0.246 . . . . 20.0 110.561 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -61.48 -52.31 65.03 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.389 -0.369 . . . . 20.0 110.448 174.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 52.6 m -54.06 -49.74 68.32 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 116.38 -0.373 . . . . 20.0 110.942 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -61.89 -37.82 86.03 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 116.726 -0.216 . . . . 20.0 111.263 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -65.81 -41.52 91.76 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-O 120.732 0.301 . . . . 20.0 110.785 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.77 -29.65 68.08 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.695 -0.229 . . . . 20.0 111.279 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 28.4 mt -65.11 -29.39 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-O 120.567 0.222 . . . . 20.0 110.538 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' HIS . . . . . 0.447 ' HA ' HD11 ' A' ' 560' ' ' ILE . 2.8 t-80 -78.91 -26.55 43.74 Favored 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 116.42 -0.355 . . . . 20.0 111.225 175.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -73.53 -41.33 63.14 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 120.754 0.312 . . . . 20.0 110.762 174.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 16.4 p -80.92 -40.78 24.02 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 116.305 -0.407 . . . . 20.0 111.157 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 96.5 16.13 38.15 Favored Glycine 0 CA--C 1.544 1.857 0 C-N-CA 121.498 -0.382 . . . . 20.0 112.748 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.7 115.21 2.03 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 116.892 0.346 . . . . 20.0 111.078 -177.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 48.0 mmt-85 -83.85 80.01 9.29 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.065 0.46 . . . . 20.0 110.495 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 39.5 mtp85 -71.33 -36.45 71.56 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 115.864 -0.607 . . . . 20.0 111.698 -173.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -101.19 110.7 22.75 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.533 -0.303 . . . . 20.0 111.053 -169.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -105.09 130.87 53.18 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 120.816 0.341 . . . . 20.0 110.796 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 45.6 t -69.82 151.11 46.13 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.175 -0.466 . . . . 20.0 110.137 171.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 78.2 mt -106.91 -17.72 14.12 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.69 -0.232 . . . . 20.0 111.39 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.16 -48.2 24.77 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 116.744 -0.207 . . . . 20.0 111.093 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.1 p -120.0 -3.03 10.17 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 111.954 0.353 . . . . 20.0 111.954 -176.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 80.04 -1.42 79.88 Favored Glycine 0 CA--C 1.556 2.625 0 C-N-CA 121.041 -0.599 . . . . 20.0 113.485 172.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -68.49 140.49 55.69 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 117.223 0.511 . . . . 20.0 111.069 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 16.1 m -106.09 143.48 34.16 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 116.242 -0.435 . . . . 20.0 111.197 -176.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -132.93 159.25 40.48 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 116.002 -0.544 . . . . 20.0 110.747 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . 0.447 HD11 ' HA ' ' A' ' 543' ' ' HIS . 7.0 tt -84.7 -25.34 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 116.199 -0.455 . . . . 20.0 111.915 -171.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 37.2 p30 -152.76 171.34 18.39 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 121.055 0.455 . . . . 20.0 111.327 -177.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -66.34 -36.53 83.15 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.949 -0.569 . . . . 20.0 111.26 -176.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.3 mp0 -61.29 -47.98 83.48 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 120.586 0.232 . . . . 20.0 111.183 -174.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -67.26 -40.72 86.27 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 116.686 -0.234 . . . . 20.0 110.788 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 32.8 ttp -59.47 -49.67 76.9 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 116.604 -0.271 . . . . 20.0 111.043 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 40.0 t -59.73 -46.82 87.96 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 116.65 -0.25 . . . . 20.0 110.835 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 32.6 t -57.24 -44.96 84.29 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 116.433 -0.349 . . . . 20.0 110.938 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -62.36 -48.11 81.22 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.442 -0.345 . . . . 20.0 111.294 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.25 -34.16 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 120.586 0.231 . . . . 20.0 110.669 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -71.63 -45.6 61.6 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.557 -0.292 . . . . 20.0 111.127 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 95.4 p -77.09 -33.16 57.06 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 111.787 0.291 . . . . 20.0 111.787 -173.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 70.9 t -96.14 -49.61 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 CA-C-O 120.507 0.194 . . . . 20.0 111.441 -173.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 . . . . . 0 CA--C 1.55 0.955 0 CA-C-N 116.602 -0.272 . . . . 20.0 111.664 -172.89 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 2.4 mp . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 120.5 0.19 . . . . 20.0 111.5 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -145.64 158.67 43.82 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.028 0.442 . . . . 20.0 111.213 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -134.06 138.74 45.52 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.785 -0.643 . . . . 20.0 110.31 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.1 tt -96.91 124.59 40.93 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 116.289 -0.414 . . . . 20.0 110.675 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -104.41 145.75 31.27 Favored Pre-proline 0 CA--C 1.55 0.97 0 CA-C-N 116.301 -0.409 . . . . 20.0 110.523 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -60.12 157.34 35.1 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 122.554 2.169 . . . . 20.0 112.424 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 48.3 t -93.41 126.35 38.5 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.189 -0.459 . . . . 20.0 110.466 176.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 33.4 ptt-85 -116.62 -16.02 10.76 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 116.41 -0.359 . . . . 20.0 111.369 -177.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 38.2 m -66.65 -26.84 67.25 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.584 -0.28 . . . . 20.0 111.388 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.2 pp -143.23 163.3 33.31 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 120.713 0.292 . . . . 20.0 110.657 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -86.64 122.72 30.95 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-O 121.033 0.445 . . . . 20.0 111.422 -171.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 35.6 pt -144.57 170.18 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 115.644 -0.707 . . . . 20.0 109.961 174.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -73.33 134.77 44.23 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 110.058 -0.349 . . . . 20.0 110.058 170.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -110.57 99.67 8.61 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.193 -0.458 . . . . 20.0 110.746 -172.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -59.65 147.43 37.47 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.262 -0.426 . . . . 20.0 110.643 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.89 -10.01 44.03 Favored 'General case' 0 CA--C 1.559 1.318 0 N-CA-C 112.186 0.439 . . . . 20.0 112.186 -171.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -84.48 -18.56 35.46 Favored 'General case' 0 CA--C 1.552 1.055 0 O-C-N 122.408 -0.183 . . . . 20.0 111.429 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.477 0.889 0 CA-C-O 120.61 0.243 . . . . 20.0 110.476 170.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 482' ' ' ASP . . . . . 0.434 ' CG ' HH12 ' A' ' 510' ' ' ARG . 8.0 p30 . . . . . 0 CA--C 1.556 1.174 0 CA-C-O 120.713 0.292 . . . . 20.0 111.056 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -161.28 175.25 12.49 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.583 0.353 . . . . 20.0 110.741 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -136.18 157.91 45.68 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.108 -0.497 . . . . 20.0 110.023 169.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -112.58 127.41 56.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.014 0.435 . . . . 20.0 110.81 -173.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.8 tp -121.97 118.14 28.11 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.633 -0.712 . . . . 20.0 110.16 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 25.6 mt -88.82 122.12 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 120.953 0.406 . . . . 20.0 110.618 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 41.9 t -138.14 129.31 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 115.823 -0.626 . . . . 20.0 110.092 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.69 35.83 19.4 Favored 'General case' 0 CA--C 1.565 1.558 0 CA-C-O 120.967 0.413 . . . . 20.0 111.208 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.29 3.87 88.73 Favored Glycine 0 CA--C 1.55 2.229 0 CA-C-N 116.349 -0.387 . . . . 20.0 112.836 177.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -111.67 135.3 52.46 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.524 0.33 . . . . 20.0 110.724 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 97.6 t -80.07 123.23 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 116.477 -0.328 . . . . 20.0 110.29 174.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -108.75 114.73 28.76 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.363 -0.381 . . . . 20.0 110.518 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -79.79 119.89 23.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.38 -0.373 . . . . 20.0 110.197 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.1 mt -114.35 131.13 67.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-O 120.944 0.402 . . . . 20.0 111.086 -171.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.5 t -66.69 137.25 56.55 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.998 -0.546 . . . . 20.0 110.809 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 20.4 pt -69.64 -38.42 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 116.618 -0.264 . . . . 20.0 111.652 -176.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 52.2 t -60.82 -65.52 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 N-CA-C 111.898 0.333 . . . . 20.0 111.898 -176.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.4 p -105.16 -1.82 24.98 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-N 116.041 -0.527 . . . . 20.0 112.412 -169.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 56.96 40.63 28.64 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 122.561 0.345 . . . . 20.0 111.575 -175.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -80.77 130.21 34.95 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-N 116.367 -0.379 . . . . 20.0 110.263 170.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 33.7 p -93.45 151.17 19.91 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 120.995 0.426 . . . . 20.0 111.289 -177.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -144.16 141.95 30.26 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.781 -0.645 . . . . 20.0 111.136 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 80.2 t -78.72 -16.92 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 CA-C-N 115.92 -0.582 . . . . 20.0 110.887 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 84.3 m -135.16 138.91 44.15 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 120.796 0.331 . . . . 20.0 111.218 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.37 -34.07 73.36 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 116.184 -0.462 . . . . 20.0 110.737 174.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 39.2 p -55.05 -42.7 73.02 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 116.6 -0.273 . . . . 20.0 110.785 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 38.8 m -68.36 -38.63 81.62 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 116.505 -0.316 . . . . 20.0 110.991 177.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 7.1 tp -63.14 -46.4 87.38 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.511 -0.313 . . . . 20.0 110.82 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 510' ' ' ARG . . . . . 0.434 HH12 ' CG ' ' A' ' 482' ' ' ASP . 0.0 OUTLIER -61.84 -48.38 80.84 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 120.552 0.215 . . . . 20.0 110.695 177.384 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -52.31 -41.22 62.76 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 116.257 -0.429 . . . . 20.0 110.856 174.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -74.53 -43.39 56.03 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 116.167 -0.47 . . . . 20.0 111.42 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -62.0 -25.97 67.95 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 122.397 -0.189 . . . . 20.0 111.465 -174.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -20.57 61.59 Favored 'General case' 0 CA--C 1.557 1.212 0 CA-C-O 120.581 0.229 . . . . 20.0 111.186 175.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 21.7 mt -81.11 -16.01 12.43 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 C-N-CA 122.347 0.259 . . . . 20.0 110.95 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -97.68 -43.48 7.17 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.715 0.293 . . . . 20.0 110.897 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 85.2 p -80.01 -34.33 38.51 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.356 -0.384 . . . . 20.0 111.31 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 55.5 m95 49.36 39.16 15.59 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-O 121.217 0.532 . . . . 20.0 110.706 -172.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -71.53 -26.97 62.88 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.866 -0.606 . . . . 20.0 111.17 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -125.05 135.06 52.36 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 116.531 -0.304 . . . . 20.0 110.56 175.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -102.46 141.17 35.72 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.174 -0.466 . . . . 20.0 110.538 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 522' ' ' TYR . . . . . 0.407 ' CE1' ' HB2' ' A' ' 534' ' ' ALA . 83.2 m-85 -124.28 79.95 59.66 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-N 116.167 -0.47 . . . . 20.0 110.217 172.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -78.22 149.66 25.21 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.793 2.329 . . . . 20.0 112.607 -176.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 52.7 t -84.75 145.69 27.78 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.91 -0.586 . . . . 20.0 110.533 175.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -80.59 -37.34 31.41 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 116.519 -0.31 . . . . 20.0 110.918 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -84.01 -23.43 30.97 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 116.205 -0.452 . . . . 20.0 111.743 -171.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 15.2 p -139.2 161.58 37.07 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 120.769 0.319 . . . . 20.0 110.559 172.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -84.97 24.8 1.02 Allowed 'General case' 0 CA--C 1.564 1.481 0 N-CA-C 112.279 0.474 . . . . 20.0 112.279 -169.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -85.61 157.58 20.32 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 120.92 0.39 . . . . 20.0 111.198 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 11.1 t -128.81 138.21 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 CA-C-N 115.751 -0.659 . . . . 20.0 110.77 175.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -108.13 150.83 40.95 Favored Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 116.015 -0.538 . . . . 20.0 110.714 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -82.83 -0.61 10.15 Favored 'Trans proline' 0 CA--C 1.56 1.808 0 C-N-CA 122.89 2.394 . . . . 20.0 112.481 171.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 7.5 mp -133.58 141.14 47.55 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.841 0.456 . . . . 20.0 110.335 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . 0.407 ' HB2' ' CE1' ' A' ' 522' ' ' TYR . . . -69.97 -42.47 73.09 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 120.644 0.259 . . . . 20.0 111.159 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -61.12 -36.75 80.58 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 120.607 0.241 . . . . 20.0 110.924 -177.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -65.09 -39.97 93.94 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.629 -0.259 . . . . 20.0 110.833 177.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -55.25 35.15 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.878 0.37 . . . . 20.0 110.254 175.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 52.8 m -51.15 -59.21 4.43 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.906 -0.588 . . . . 20.0 111.184 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -62.45 -33.58 75.11 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 116.682 -0.235 . . . . 20.0 110.939 -175.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -66.97 -42.71 84.68 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 120.706 0.288 . . . . 20.0 111.03 175.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -70.31 -26.0 63.58 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 122.38 -0.2 . . . . 20.0 111.111 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 23.6 mt -64.59 -35.6 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-O 120.686 0.279 . . . . 20.0 110.449 170.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -73.14 -28.76 62.43 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.346 -0.388 . . . . 20.0 111.13 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -75.23 -42.44 55.34 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 120.77 0.319 . . . . 20.0 111.061 175.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 18.8 p -79.82 -19.92 47.34 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 116.413 -0.358 . . . . 20.0 111.409 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 77.23 13.67 83.38 Favored Glycine 0 CA--C 1.542 1.775 0 C-N-CA 121.481 -0.39 . . . . 20.0 112.652 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -55.73 116.59 3.01 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-O 120.776 0.322 . . . . 20.0 111.364 -175.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -78.59 129.94 35.37 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 116.259 -0.428 . . . . 20.0 110.154 171.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -136.33 -41.97 0.63 Allowed 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 116.298 -0.41 . . . . 20.0 111.556 -173.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -90.33 97.25 11.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.707 0.289 . . . . 20.0 110.412 -176.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -97.3 129.72 44.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.405 -0.361 . . . . 20.0 110.94 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 49.5 t -68.46 148.61 50.36 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.07 -0.513 . . . . 20.0 110.244 171.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 90.8 mt -103.74 -19.74 14.2 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 116.714 -0.221 . . . . 20.0 111.242 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.01 -48.37 24.42 Favored 'General case' 0 CA--C 1.556 1.174 0 CA-C-N 116.586 -0.279 . . . . 20.0 111.165 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 26.4 p -120.03 -1.61 10.36 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 112.054 0.39 . . . . 20.0 112.054 -175.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 81.51 -5.98 66.58 Favored Glycine 0 CA--C 1.556 2.643 0 C-N-CA 120.978 -0.63 . . . . 20.0 113.738 171.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -66.26 140.77 58.16 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 117.469 0.634 . . . . 20.0 111.065 -176.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 24.2 m -105.1 145.56 30.35 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 116.362 -0.381 . . . . 20.0 111.355 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -132.39 162.26 31.56 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.982 -0.554 . . . . 20.0 110.787 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 3.1 tt -80.14 -25.43 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 116.146 -0.479 . . . . 20.0 111.531 -172.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -155.05 175.05 14.32 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 121.111 0.481 . . . . 20.0 111.232 -174.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -63.86 -37.03 85.87 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.856 -0.611 . . . . 20.0 111.096 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -62.67 -48.52 78.93 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 116.419 -0.355 . . . . 20.0 111.205 -172.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -68.55 -42.7 78.0 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.901 -0.136 . . . . 20.0 110.869 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . 0.421 ' SD ' HD12 ' A' ' 569' ' ' ILE . 14.2 tmm? -56.43 -47.57 78.8 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 116.643 -0.253 . . . . 20.0 110.727 176.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 38.5 t -60.79 -49.1 78.84 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.559 -0.291 . . . . 20.0 110.959 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 29.1 t -56.34 -41.96 76.94 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.681 0.276 . . . . 20.0 110.881 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -64.83 -50.46 66.57 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 116.456 -0.338 . . . . 20.0 111.202 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . 0.421 HD12 ' SD ' ' A' ' 565' ' ' MET . 20.1 mt -64.3 -36.46 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-O 120.63 0.253 . . . . 20.0 110.679 -177.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -67.08 -42.31 84.85 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 116.59 -0.277 . . . . 20.0 111.046 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 41.4 m -77.77 -36.46 50.53 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 116.571 -0.286 . . . . 20.0 111.69 -174.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 73.8 t -97.11 -47.81 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 116.635 -0.257 . . . . 20.0 111.409 -171.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 . . . . . 0 CA--C 1.551 1.01 0 CA-C-N 116.643 -0.253 . . . . 20.0 111.497 -173.673 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 112.102 0.408 . . . . 20.0 112.102 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -147.62 162.71 38.58 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.09 0.471 . . . . 20.0 111.476 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -138.22 137.96 38.06 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.644 -0.707 . . . . 20.0 110.156 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.5 tt -102.08 113.71 27.19 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.425 -0.352 . . . . 20.0 110.667 -175.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -88.28 152.88 50.77 Favored Pre-proline 0 CA--C 1.554 1.114 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.928 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -63.97 158.83 45.33 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 122.468 2.112 . . . . 20.0 112.554 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 24.7 t -94.59 131.53 40.25 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.143 -0.481 . . . . 20.0 110.575 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -120.13 -22.42 6.65 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 116.3 -0.409 . . . . 20.0 111.448 -174.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 49.1 m -73.73 -21.39 60.23 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 111.877 0.325 . . . . 20.0 111.877 -171.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 3.0 pp -143.27 169.05 18.36 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 120.876 0.369 . . . . 20.0 111.293 -177.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -91.08 113.26 25.48 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 116.119 -0.491 . . . . 20.0 111.635 -171.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 23.6 pt -149.79 164.61 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 115.718 -0.674 . . . . 20.0 110.309 169.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -73.23 145.66 46.04 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.952 -0.388 . . . . 20.0 109.952 171.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -126.14 152.04 46.46 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.046 0.451 . . . . 20.0 110.822 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . 0.45 ' H ' ' CD2' ' A' ' 600' ' ' LEU . 87.7 m-85 -103.17 157.8 16.75 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.771 -0.65 . . . . 20.0 110.678 -177.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.77 -9.94 56.48 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-N 116.57 -0.286 . . . . 20.0 111.747 -175.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -77.53 -20.49 54.1 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 121.314 -0.154 . . . . 20.0 110.855 173.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 600' ' ' LEU . . . . . 0.45 ' CD2' ' H ' ' A' ' 597' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 109.944 -0.391 . . . . 20.0 109.944 169.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 35.8 p30 . . . . . 0 CA--C 1.552 1.02 0 CA-C-O 120.817 0.341 . . . . 20.0 111.07 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 483' ' ' HIS . . . . . 0.451 ' HB3' HD21 ' A' ' 509' ' ' LEU . 56.5 p-80 -158.72 175.0 14.17 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 120.815 0.34 . . . . 20.0 110.909 178.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -137.54 160.57 38.78 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.37 171.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -102.59 119.42 38.8 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.403 -0.362 . . . . 20.0 110.675 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.2 tp -115.38 114.56 25.27 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.076 -0.511 . . . . 20.0 110.171 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 29.8 mt -87.18 123.22 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-O 120.97 0.414 . . . . 20.0 110.591 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 47.9 t -134.19 123.56 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 115.841 -0.618 . . . . 20.0 110.144 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 36.0 t0 49.84 42.12 23.52 Favored 'General case' 0 CA--C 1.564 1.517 0 CA-C-O 121.086 0.47 . . . . 20.0 111.064 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 86.61 -21.38 18.62 Favored Glycine 0 CA--C 1.549 2.163 0 CA-C-N 116.172 -0.467 . . . . 20.0 113.04 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 56.9 mtt85 -89.24 135.74 33.41 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 116.887 0.343 . . . . 20.0 111.058 -177.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 99.8 t -81.59 122.67 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 116.48 -0.327 . . . . 20.0 110.209 173.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -108.21 116.87 32.76 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.398 -0.365 . . . . 20.0 110.476 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -79.84 117.17 20.47 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.276 -0.42 . . . . 20.0 110.282 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.1 mt -112.9 127.85 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-O 120.802 0.334 . . . . 20.0 111.082 -172.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 4.0 t -65.16 137.05 57.38 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.227 -0.442 . . . . 20.0 110.594 176.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 35.5 pt -68.69 -39.22 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 111.75 0.278 . . . . 20.0 111.75 -176.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.83 -64.43 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 N-CA-C 111.871 0.322 . . . . 20.0 111.871 -175.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 26.5 p -104.99 -3.24 23.5 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 115.984 -0.553 . . . . 20.0 112.358 -169.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 57.8 37.54 27.09 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 122.576 0.35 . . . . 20.0 111.668 -178.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -80.57 131.09 35.47 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 110.149 -0.315 . . . . 20.0 110.149 169.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 24.4 p -93.24 145.94 24.06 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.971 0.415 . . . . 20.0 111.279 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -138.24 140.52 39.73 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.807 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 75.9 t -82.86 -16.31 11.5 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.835 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 75.5 m -134.71 134.91 41.56 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.412 -0.358 . . . . 20.0 110.961 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.42 -33.27 73.42 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 116.301 -0.409 . . . . 20.0 111.12 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 17.3 p -52.08 -46.59 65.25 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 120.727 0.298 . . . . 20.0 111.104 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 6.7 m -69.51 -33.36 72.72 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.445 -0.343 . . . . 20.0 111.181 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.451 HD21 ' HB3' ' A' ' 483' ' ' HIS . 7.7 tp -63.12 -46.33 87.79 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 116.915 -0.13 . . . . 20.0 110.862 176.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -58.45 -48.9 79.23 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 120.818 0.342 . . . . 20.0 110.344 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -57.45 -42.25 82.11 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.916 -0.584 . . . . 20.0 110.959 177.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -68.56 -46.31 69.79 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 116.4 -0.364 . . . . 20.0 111.324 -176.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -60.7 -21.24 62.68 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 111.465 0.172 . . . . 20.0 111.465 -173.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.43 -25.01 58.97 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 120.536 0.208 . . . . 20.0 111.22 174.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 36.5 mt -75.9 -19.48 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 122.447 0.299 . . . . 20.0 111.202 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -96.74 -40.61 8.88 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.618 0.247 . . . . 20.0 111.051 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 81.0 p -81.94 -34.75 29.68 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.521 -0.309 . . . . 20.0 111.445 -175.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 36.5 m95 50.32 36.32 12.63 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.138 0.494 . . . . 20.0 110.856 -171.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -69.26 -28.93 66.75 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.108 -0.496 . . . . 20.0 110.922 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -129.16 122.85 30.66 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.351 -0.386 . . . . 20.0 110.349 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -93.43 150.5 20.41 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 116.216 -0.447 . . . . 20.0 110.653 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -124.03 79.92 57.98 Favored Pre-proline 0 CA--C 1.546 0.82 0 CA-C-N 116.12 -0.491 . . . . 20.0 110.219 175.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.44 153.66 31.05 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.947 2.432 . . . . 20.0 112.545 -178.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 5.1 t -79.74 170.44 16.52 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.073 -0.512 . . . . 20.0 110.936 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -106.48 -40.06 5.69 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 115.876 -0.602 . . . . 20.0 110.766 176.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -78.41 -21.88 48.62 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.33 -0.395 . . . . 20.0 111.44 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 23.0 p -140.33 173.36 11.58 Favored 'General case' 0 CA--C 1.556 1.197 0 CA-C-O 120.832 0.349 . . . . 20.0 110.779 176.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -92.05 11.32 25.7 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 116.457 -0.338 . . . . 20.0 111.836 -174.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -71.65 149.12 45.85 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 120.713 0.292 . . . . 20.0 111.093 -177.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 8.7 t -127.57 138.84 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 CA-C-N 116.346 -0.388 . . . . 20.0 111.025 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -124.66 160.11 55.07 Favored Pre-proline 0 N--CA 1.477 0.895 0 CA-C-N 115.898 -0.592 . . . . 20.0 110.715 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -89.18 0.15 6.11 Favored 'Trans proline' 0 CA--C 1.559 1.748 0 C-N-CA 123.082 2.521 . . . . 20.0 113.376 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 1.9 mp -134.06 143.19 47.9 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.766 0.317 . . . . 20.0 110.838 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.54 -40.28 80.75 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 116.239 -0.437 . . . . 20.0 111.148 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -57.13 -50.46 72.74 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 120.814 0.34 . . . . 20.0 110.687 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -60.58 -34.28 73.95 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.186 -0.461 . . . . 20.0 110.663 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -67.52 -47.48 69.81 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.487 -0.324 . . . . 20.0 110.886 175.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 49.4 m -61.03 -52.88 63.12 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 116.754 -0.203 . . . . 20.0 110.949 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -63.12 -34.26 77.22 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 116.776 -0.193 . . . . 20.0 111.01 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -65.43 -44.62 86.8 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 120.669 0.271 . . . . 20.0 110.838 174.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -66.31 -32.08 73.27 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 122.44 -0.163 . . . . 20.0 111.041 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 27.2 mt -62.31 -29.9 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-O 120.713 0.292 . . . . 20.0 110.619 172.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' HIS . . . . . 0.482 ' HA ' HD11 ' A' ' 560' ' ' ILE . 2.5 t-80 -76.76 -26.3 54.4 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 116.485 -0.325 . . . . 20.0 111.134 176.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -75.09 -40.37 60.11 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-O 120.577 0.227 . . . . 20.0 110.866 174.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 69.4 p -76.93 -36.09 56.85 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 116.578 -0.283 . . . . 20.0 111.099 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 85.47 16.94 63.17 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 121.355 -0.45 . . . . 20.0 112.181 -175.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -55.98 120.87 8.12 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 120.871 0.367 . . . . 20.0 111.147 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -71.28 124.81 25.37 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.339 -0.391 . . . . 20.0 110.195 172.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 34.0 mmm-85 -115.91 -55.9 2.37 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.235 -0.439 . . . . 20.0 111.214 -173.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -99.76 114.47 27.64 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.351 -0.386 . . . . 20.0 110.776 -172.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -105.51 130.37 53.59 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 120.837 0.351 . . . . 20.0 110.843 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 49.4 t -68.68 147.91 51.17 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.155 -0.475 . . . . 20.0 110.092 171.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 87.7 mt -102.86 -17.57 15.47 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 116.694 -0.23 . . . . 20.0 111.313 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.13 -48.47 23.54 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 116.647 -0.251 . . . . 20.0 111.095 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 31.8 p -119.91 -2.55 10.29 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 112.092 0.405 . . . . 20.0 112.092 -174.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 80.02 -1.51 79.41 Favored Glycine 0 CA--C 1.557 2.695 0 C-N-CA 120.993 -0.622 . . . . 20.0 113.56 172.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -68.98 140.24 55.04 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-N 117.228 0.514 . . . . 20.0 111.026 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 43.9 m -107.0 147.04 30.38 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 116.327 -0.397 . . . . 20.0 111.178 -177.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -131.98 156.58 45.96 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.926 -0.579 . . . . 20.0 110.729 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . 0.482 HD11 ' HA ' ' A' ' 543' ' ' HIS . 5.9 tt -79.51 -23.94 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 116.242 -0.435 . . . . 20.0 111.651 -172.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -151.6 169.66 21.57 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-O 121.046 0.45 . . . . 20.0 111.156 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -66.95 -39.08 87.17 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 116.001 -0.545 . . . . 20.0 111.275 -175.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.6 mp0 -58.48 -44.92 89.55 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.622 -0.263 . . . . 20.0 111.155 -174.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -68.14 -42.95 79.38 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.598 -0.274 . . . . 20.0 111.018 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -40.37 92.03 Favored 'General case' 0 CA--C 1.554 1.096 0 CA-C-N 116.696 -0.229 . . . . 20.0 111.093 -176.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 34.8 t -63.78 -46.08 86.84 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.602 0.239 . . . . 20.0 110.618 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 16.5 t -58.15 -41.81 84.56 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 116.419 -0.355 . . . . 20.0 110.815 176.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -62.52 -47.86 82.08 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 116.412 -0.358 . . . . 20.0 111.353 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 57.2 mt -64.43 -39.67 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-O 120.596 0.236 . . . . 20.0 110.654 -177.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -67.08 -44.69 79.39 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.574 -0.284 . . . . 20.0 111.097 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 22.9 t -74.84 -39.39 61.64 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 111.709 0.263 . . . . 20.0 111.709 -175.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 77.1 t -92.19 -47.0 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 111.615 0.228 . . . . 20.0 111.615 -170.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 CA--C 1.548 0.898 0 CA-C-N 116.603 -0.271 . . . . 20.0 111.573 -173.328 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 111.547 0.202 . . . . 20.0 111.547 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -147.82 162.27 39.58 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.963 0.411 . . . . 20.0 111.221 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -140.18 138.68 35.35 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.784 -0.644 . . . . 20.0 110.308 176.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -103.07 117.36 34.39 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.429 -0.35 . . . . 20.0 110.57 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -92.05 160.63 35.24 Favored Pre-proline 0 CA--C 1.553 1.077 0 CA-C-N 116.178 -0.464 . . . . 20.0 110.675 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.49 161.44 43.38 Favored 'Trans proline' 0 CA--C 1.544 1.017 0 C-N-CA 122.713 2.275 . . . . 20.0 112.636 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 42.1 t -100.38 130.23 46.45 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.111 -0.495 . . . . 20.0 110.333 173.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -123.72 -14.31 7.27 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 116.433 -0.349 . . . . 20.0 111.445 -177.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 37.4 m -69.97 -23.72 63.22 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 116.617 -0.265 . . . . 20.0 111.46 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.9 pp -140.26 164.94 28.73 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-O 120.923 0.392 . . . . 20.0 110.868 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -82.79 117.35 22.62 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 116.037 -0.529 . . . . 20.0 111.561 -170.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 33.3 pt -143.95 166.55 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 CA-C-N 115.781 -0.645 . . . . 20.0 110.25 173.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -71.22 138.4 49.45 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 110.007 -0.368 . . . . 20.0 110.007 171.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -111.16 96.33 6.07 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.35 -0.386 . . . . 20.0 110.768 -172.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -51.87 142.03 16.23 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.889 -0.596 . . . . 20.0 110.906 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -61.96 -18.11 59.23 Favored 'General case' 0 CA--C 1.557 1.239 0 N-CA-C 111.679 0.251 . . . . 20.0 111.679 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -81.35 -18.78 44.43 Favored 'General case' 0 CA--C 1.554 1.119 0 CA-C-O 120.631 0.253 . . . . 20.0 111.205 176.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.751 0 CA-C-N 116.467 -0.333 . . . . 20.0 110.515 170.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 33.7 p30 . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 112.558 0.577 . . . . 20.0 112.558 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -160.54 174.01 14.68 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 121.023 0.439 . . . . 20.0 111.782 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -138.62 162.05 35.59 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.486 -0.779 . . . . 20.0 110.095 171.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -102.78 120.75 41.14 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.451 -0.34 . . . . 20.0 110.744 -177.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.3 tp -117.07 116.33 27.12 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.004 -0.544 . . . . 20.0 110.158 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 33.7 mt -89.38 123.57 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 120.958 0.408 . . . . 20.0 110.606 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 45.2 t -138.51 129.51 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 115.755 -0.657 . . . . 20.0 110.096 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.03 36.62 19.16 Favored 'General case' 0 CA--C 1.564 1.498 0 CA-C-O 120.935 0.398 . . . . 20.0 111.208 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.68 0.84 85.73 Favored Glycine 0 CA--C 1.552 2.36 0 CA-C-N 116.5 -0.318 . . . . 20.0 112.911 177.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -107.66 134.77 50.17 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.513 0.325 . . . . 20.0 110.7 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 89.0 t -81.37 121.5 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 116.589 -0.278 . . . . 20.0 110.318 174.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -108.76 115.58 30.35 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.523 177.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -79.83 116.03 19.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.329 -0.396 . . . . 20.0 110.027 176.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 2.8 mt -109.26 128.41 65.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-N 116.379 -0.373 . . . . 20.0 110.968 -172.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 2.6 t -65.8 135.65 55.16 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.066 -0.515 . . . . 20.0 110.629 175.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 35.7 pt -69.4 -38.23 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 111.774 0.287 . . . . 20.0 111.774 -175.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 47.8 t -60.81 -64.8 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 N-CA-C 111.81 0.3 . . . . 20.0 111.81 -176.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 29.1 p -105.11 -3.81 22.63 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.33 0.493 . . . . 20.0 112.33 -169.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 59.45 36.29 23.08 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 122.593 0.357 . . . . 20.0 111.768 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -80.43 131.39 35.58 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 110.058 -0.349 . . . . 20.0 110.058 169.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 21.4 p -92.49 146.09 23.95 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.311 -0.404 . . . . 20.0 111.235 -176.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -137.53 138.08 39.27 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.972 -0.558 . . . . 20.0 110.923 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 52.8 t -80.08 -15.82 12.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-N 115.945 -0.571 . . . . 20.0 111.029 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 78.9 m -136.57 135.13 38.16 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.778 0.323 . . . . 20.0 110.871 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 30.3 mt -60.31 -36.21 77.37 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 116.345 -0.389 . . . . 20.0 110.971 177.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 14.2 p -54.11 -39.57 66.51 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 120.816 0.341 . . . . 20.0 110.875 175.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 5.4 t -69.39 -40.09 77.6 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.07 -0.514 . . . . 20.0 110.867 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.29 -45.35 93.63 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.326 -0.397 . . . . 20.0 111.114 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -58.31 -46.65 85.76 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 120.772 0.32 . . . . 20.0 110.271 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -55.73 -45.21 78.0 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.862 -0.608 . . . . 20.0 110.634 175.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -69.21 -48.68 61.37 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 116.222 -0.445 . . . . 20.0 111.425 -174.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -61.85 -21.0 64.29 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-O 120.505 0.193 . . . . 20.0 111.491 -171.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -23.02 62.94 Favored 'General case' 0 CA--C 1.561 1.399 0 CA-C-N 116.749 -0.205 . . . . 20.0 111.217 175.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 38.0 mt -76.54 -19.17 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-O 120.599 0.238 . . . . 20.0 110.95 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -97.85 -42.41 7.58 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.717 0.294 . . . . 20.0 110.985 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 89.3 p -78.57 -34.01 47.24 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.362 -0.381 . . . . 20.0 111.329 -176.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 61.5 m95 50.65 39.44 21.61 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 121.212 0.529 . . . . 20.0 110.521 -169.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.44 -30.24 70.55 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.802 -0.635 . . . . 20.0 111.006 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -133.53 122.8 24.11 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.269 -0.423 . . . . 20.0 110.454 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -92.94 143.53 26.16 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.287 -0.415 . . . . 20.0 110.421 174.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -122.41 79.93 45.9 Favored Pre-proline 0 CA--C 1.541 0.612 0 CA-C-N 116.16 -0.473 . . . . 20.0 110.471 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.84 148.95 46.97 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.623 2.215 . . . . 20.0 112.42 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 24.5 t -73.61 170.48 15.13 Favored 'General case' 0 CA--C 1.557 1.235 0 CA-C-N 115.876 -0.602 . . . . 20.0 110.42 173.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -110.43 -39.96 4.78 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 116.205 -0.452 . . . . 20.0 110.841 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -79.16 -20.83 47.52 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 116.299 -0.409 . . . . 20.0 111.348 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.8 p -139.66 170.49 15.79 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 120.666 0.27 . . . . 20.0 110.594 172.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -94.36 16.78 14.24 Favored 'General case' 0 CA--C 1.564 1.486 0 N-CA-C 112.268 0.47 . . . . 20.0 112.268 -169.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -78.82 161.73 26.58 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 120.772 0.32 . . . . 20.0 110.956 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 15.2 t -130.69 139.07 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 CA-C-N 116.168 -0.469 . . . . 20.0 111.124 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -109.98 152.19 42.89 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 115.928 -0.578 . . . . 20.0 110.673 175.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -83.62 -3.32 10.63 Favored 'Trans proline' 0 CA--C 1.557 1.64 0 C-N-CA 122.838 2.358 . . . . 20.0 112.776 175.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.1 mp -134.19 146.06 49.8 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.586 0.355 . . . . 20.0 110.313 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -67.58 -49.58 62.47 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.628 -0.26 . . . . 20.0 111.168 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -56.94 -35.68 69.36 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.67 -0.241 . . . . 20.0 111.098 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -63.44 -40.46 97.21 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.734 -0.212 . . . . 20.0 110.716 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.04 -39.71 93.25 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.648 0.261 . . . . 20.0 110.318 175.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 24.3 m -67.17 -55.79 12.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.436 -0.347 . . . . 20.0 110.892 -175.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -61.18 -34.66 75.41 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.639 -0.255 . . . . 20.0 110.839 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -66.01 -46.85 76.44 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-O 120.63 0.252 . . . . 20.0 111.049 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -65.65 -31.72 72.9 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 122.391 -0.193 . . . . 20.0 111.056 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 9.5 mt -59.6 -33.92 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-O 120.985 0.422 . . . . 20.0 110.397 171.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -29.48 67.37 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.17 -0.468 . . . . 20.0 110.881 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -78.25 -42.65 30.46 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 116.665 -0.243 . . . . 20.0 111.141 177.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 82.4 p -76.0 -18.22 59.37 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 116.825 -0.17 . . . . 20.0 111.311 -177.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 76.64 15.91 81.18 Favored Glycine 0 CA--C 1.543 1.794 0 C-N-CA 121.442 -0.409 . . . . 20.0 112.346 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.46 109.69 1.24 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 120.817 0.341 . . . . 20.0 110.981 -176.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 64.2 mtm180 -80.1 127.36 32.22 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.868 0.366 . . . . 20.0 110.145 175.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -107.72 -51.45 2.9 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.909 -0.587 . . . . 20.0 111.581 -169.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -97.68 110.43 22.99 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.365 -0.379 . . . . 20.0 110.871 -171.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -93.04 123.69 36.48 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.351 -0.386 . . . . 20.0 110.645 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 35.3 t -77.29 100.01 5.72 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.283 -0.417 . . . . 20.0 110.535 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 75.2 mt -61.83 -15.06 38.95 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 111.887 0.329 . . . . 20.0 111.887 -175.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.07 -50.07 17.63 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-O 120.352 0.12 . . . . 20.0 111.317 -177.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.7 p -120.07 -5.28 10.02 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 111.88 0.326 . . . . 20.0 111.88 -174.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 91.51 -7.87 79.48 Favored Glycine 0 CA--C 1.551 2.33 0 C-N-CA 121.536 -0.364 . . . . 20.0 113.274 174.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -74.61 133.48 42.17 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 117.293 0.546 . . . . 20.0 110.86 -175.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 49.8 m -105.96 150.15 25.96 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.435 -0.348 . . . . 20.0 110.969 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -130.2 154.76 47.21 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.151 -0.477 . . . . 20.0 110.882 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.5 tt -76.21 -23.04 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 116.196 -0.456 . . . . 20.0 111.58 -173.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 29.5 p30 -153.26 170.95 19.34 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.83 0.348 . . . . 20.0 110.901 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' TYR . . . . . 0.427 ' CD1' ' HE3' ' A' ' 565' ' ' MET . 1.1 t80 -71.85 -34.34 69.18 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.273 -0.421 . . . . 20.0 111.063 -175.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.7 mp0 -55.68 -44.51 77.38 Favored 'General case' 0 CA--C 1.554 1.116 0 O-C-N 122.205 -0.309 . . . . 20.0 110.893 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -69.44 -46.58 66.39 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.623 -0.262 . . . . 20.0 111.176 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . 0.427 ' HE3' ' CD1' ' A' ' 562' ' ' TYR . 15.2 tmm? -61.93 -46.84 87.56 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 120.673 0.273 . . . . 20.0 111.036 -177.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 31.9 t -59.34 -46.66 88.01 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.488 -0.324 . . . . 20.0 110.741 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 23.0 t -59.83 -43.13 94.72 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.46 -0.336 . . . . 20.0 110.889 177.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -64.83 -48.16 75.36 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 116.399 -0.364 . . . . 20.0 111.339 -177.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 17.2 mt -66.79 -35.08 73.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-O 120.565 0.222 . . . . 20.0 110.782 -177.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -68.19 -42.55 79.74 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.603 -0.271 . . . . 20.0 111.026 176.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 36.8 m -78.59 -35.53 45.65 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.563 -0.29 . . . . 20.0 111.781 -173.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 71.7 t -99.01 -45.91 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 CA-C-O 120.534 0.207 . . . . 20.0 111.486 -170.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 . . . . . 0 CA--C 1.551 1.012 0 CA-C-N 116.676 -0.238 . . . . 20.0 111.448 -174.557 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 120.522 0.201 . . . . 20.0 111.435 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -146.95 161.89 39.85 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.993 0.425 . . . . 20.0 111.204 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -130.24 129.37 43.24 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.742 -0.663 . . . . 20.0 110.172 175.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -97.1 106.53 18.89 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 120.889 0.376 . . . . 20.0 110.492 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -82.24 155.62 69.43 Favored Pre-proline 0 CA--C 1.548 0.883 0 CA-C-N 116.108 -0.496 . . . . 20.0 110.67 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -66.24 160.87 43.01 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.441 2.094 . . . . 20.0 112.369 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 46.4 t -98.54 131.66 44.59 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.997 -0.547 . . . . 20.0 110.342 173.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.95 -14.82 3.06 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 116.514 -0.312 . . . . 20.0 111.568 -176.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 30.0 p -67.42 -21.34 65.57 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 122.19 0.196 . . . . 20.0 111.498 -177.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.5 pp -138.28 166.03 25.23 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 120.836 0.35 . . . . 20.0 110.822 177.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -88.74 107.68 19.08 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 116.216 -0.447 . . . . 20.0 111.569 -170.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 30.1 pt -145.35 170.99 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 CA-C-N 115.845 -0.616 . . . . 20.0 110.033 170.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -76.1 143.66 41.15 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 109.969 -0.382 . . . . 20.0 109.969 171.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -129.6 122.86 29.94 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.945 0.402 . . . . 20.0 110.557 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -67.24 156.36 36.51 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.861 -0.609 . . . . 20.0 111.138 -176.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.75 -12.15 61.41 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-N 116.245 -0.434 . . . . 20.0 111.785 -174.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -80.08 -16.59 54.68 Favored 'General case' 0 CA--C 1.555 1.154 0 O-C-N 122.498 -0.126 . . . . 20.0 111.335 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 110.292 -0.262 . . . . 20.0 110.292 169.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 18.4 p30 . . . . . 0 CA--C 1.554 1.133 0 CA-C-O 120.615 0.245 . . . . 20.0 111.393 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 483' ' ' HIS . . . . . 0.481 ' HB3' HD21 ' A' ' 509' ' ' LEU . 44.9 p-80 -161.16 174.93 12.94 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 120.935 0.398 . . . . 20.0 111.199 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -135.15 159.03 42.81 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.631 -0.713 . . . . 20.0 110.027 169.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 45.6 mp0 -104.61 129.19 52.75 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.968 0.413 . . . . 20.0 110.841 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 13.8 tp -126.34 111.87 15.01 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.896 -0.593 . . . . 20.0 110.163 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 27.7 mt -84.11 125.4 40.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 120.93 0.395 . . . . 20.0 110.748 -176.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 45.6 t -138.32 126.81 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 115.829 -0.623 . . . . 20.0 110.202 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 39.9 t0 50.64 38.04 17.98 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 121.01 0.433 . . . . 20.0 111.162 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 88.08 -21.88 21.69 Favored Glycine 0 CA--C 1.547 2.091 0 CA-C-N 116.18 -0.464 . . . . 20.0 113.054 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -89.87 138.56 31.39 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 116.905 0.353 . . . . 20.0 111.009 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 53.2 t -80.01 125.01 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.151 171.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -108.16 111.69 23.83 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.895 0.379 . . . . 20.0 110.393 175.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -79.87 122.12 26.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.172 -0.467 . . . . 20.0 110.304 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.9 mt -114.71 129.47 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 120.858 0.361 . . . . 20.0 110.89 -172.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 5.3 t -65.84 137.98 57.58 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.135 -0.484 . . . . 20.0 110.595 176.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 27.1 pt -70.56 -38.93 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 111.739 0.274 . . . . 20.0 111.739 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 44.7 t -60.92 -64.39 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-O 120.649 0.262 . . . . 20.0 111.665 -176.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 29.2 p -105.13 -5.67 20.58 Favored 'General case' 0 CA--C 1.557 1.227 0 N-CA-C 112.412 0.523 . . . . 20.0 112.412 -169.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 59.96 38.14 21.05 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 122.693 0.397 . . . . 20.0 111.78 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -81.22 131.45 35.3 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 109.99 -0.374 . . . . 20.0 109.99 169.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 29.9 p -96.1 143.31 27.35 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 120.982 0.42 . . . . 20.0 111.253 -175.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -133.49 135.41 44.44 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.65 -0.705 . . . . 20.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 57.2 t -75.28 -17.22 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 CA-C-N 116.016 -0.538 . . . . 20.0 110.949 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 71.2 m -135.39 136.68 41.64 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.427 -0.352 . . . . 20.0 110.888 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 14.7 mt -55.49 -35.7 65.85 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 116.349 -0.387 . . . . 20.0 110.793 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 32.7 p -52.02 -45.31 64.56 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.534 -0.303 . . . . 20.0 110.978 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 19.2 m -66.26 -38.91 88.97 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.534 -0.303 . . . . 20.0 111.014 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.481 HD21 ' HB3' ' A' ' 483' ' ' HIS . 6.1 tp -63.2 -47.59 81.91 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 116.499 -0.319 . . . . 20.0 110.962 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -46.21 89.45 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 120.774 0.321 . . . . 20.0 110.257 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -51.38 -47.46 62.85 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.85 -0.614 . . . . 20.0 110.839 172.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -71.14 -45.01 64.4 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 116.24 -0.436 . . . . 20.0 111.519 -173.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -60.95 -24.7 66.28 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 120.549 0.214 . . . . 20.0 111.287 -173.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -22.0 60.3 Favored 'General case' 0 CA--C 1.562 1.41 0 CA-C-N 116.679 -0.237 . . . . 20.0 111.306 175.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 32.0 mt -77.72 -19.56 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 122.352 0.261 . . . . 20.0 111.13 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -96.11 -44.27 7.38 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.623 0.249 . . . . 20.0 110.88 177.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 84.5 p -78.59 -34.19 46.98 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.506 -0.316 . . . . 20.0 111.345 -176.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 52.6 m95 51.9 34.69 14.01 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-O 121.107 0.479 . . . . 20.0 110.915 -173.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -69.52 -31.32 69.47 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 116.033 -0.53 . . . . 20.0 111.318 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -123.24 133.16 54.22 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 116.508 -0.314 . . . . 20.0 110.547 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -100.75 145.36 28.6 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.067 -0.515 . . . . 20.0 110.833 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -126.94 79.87 72.1 Favored Pre-proline 0 CA--C 1.55 0.967 0 CA-C-N 115.971 -0.558 . . . . 20.0 110.428 173.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.62 151.18 32.2 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.704 2.269 . . . . 20.0 112.533 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 43.9 t -86.64 142.64 28.09 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 116.079 -0.51 . . . . 20.0 110.772 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.14 -34.91 64.03 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 116.583 -0.281 . . . . 20.0 111.143 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -84.91 -26.6 27.16 Favored 'General case' 0 CA--C 1.557 1.219 0 CA-C-N 116.312 -0.403 . . . . 20.0 111.926 -171.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.9 p -140.03 160.41 39.98 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 120.862 0.363 . . . . 20.0 110.871 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -85.8 32.25 0.6 Allowed 'General case' 0 CA--C 1.563 1.443 0 CA-C-N 116.402 -0.363 . . . . 20.0 111.94 -170.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -94.39 163.57 13.37 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 120.829 0.347 . . . . 20.0 111.004 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 10.6 t -133.39 137.79 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 CA-C-N 115.99 -0.55 . . . . 20.0 110.964 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -106.97 152.11 40.86 Favored Pre-proline 0 CA--C 1.543 0.69 0 CA-C-N 115.977 -0.556 . . . . 20.0 110.754 176.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -83.03 -5.52 11.3 Favored 'Trans proline' 0 CA--C 1.551 1.348 0 C-N-CA 122.885 2.39 . . . . 20.0 112.629 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.4 mp -132.96 144.79 50.36 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.559 0.344 . . . . 20.0 110.506 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.29 91.45 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 116.312 -0.404 . . . . 20.0 111.057 176.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -61.92 -47.68 83.82 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.551 -0.295 . . . . 20.0 110.824 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -60.49 -35.56 76.22 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.457 -0.338 . . . . 20.0 110.766 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . 0.46 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -58.4 -59.28 5.6 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.288 -0.414 . . . . 20.0 110.342 171.32 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . 0.46 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 96.0 m -57.1 -51.19 70.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.129 -0.487 . . . . 20.0 111.121 -172.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -61.21 -37.44 83.02 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.699 -0.228 . . . . 20.0 111.022 -177.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -68.92 -43.17 75.68 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.542 0.21 . . . . 20.0 110.928 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -65.46 -31.62 72.8 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 116.795 -0.184 . . . . 20.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 41.7 mt -62.1 -43.67 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 110.326 -0.25 . . . . 20.0 110.326 171.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -62.25 -32.71 73.44 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 116.502 -0.317 . . . . 20.0 110.906 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -72.26 -42.76 65.24 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 120.725 0.298 . . . . 20.0 110.936 173.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 10.6 m -76.28 -24.5 54.45 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 116.247 -0.433 . . . . 20.0 111.313 -173.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 84.74 8.92 82.07 Favored Glycine 0 CA--C 1.546 1.975 0 C-N-CA 121.62 -0.324 . . . . 20.0 112.923 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.79 121.65 14.52 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 117.007 0.403 . . . . 20.0 111.278 -176.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -83.09 137.14 34.22 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 116.269 -0.423 . . . . 20.0 110.214 170.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 9.9 ptm85 -129.76 -36.14 1.63 Allowed 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 116.43 -0.35 . . . . 20.0 111.53 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -94.96 108.92 20.98 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 110.491 -0.189 . . . . 20.0 110.491 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -103.63 129.47 50.93 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.768 0.318 . . . . 20.0 110.757 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 42.0 t -68.11 146.31 53.58 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.152 -0.476 . . . . 20.0 110.262 171.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 87.6 mt -102.53 -17.63 15.66 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 120.544 0.211 . . . . 20.0 111.367 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.05 -48.73 22.5 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-O 120.524 0.202 . . . . 20.0 111.128 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.4 p -120.06 -1.26 10.4 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 111.935 0.346 . . . . 20.0 111.935 -176.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 79.94 0.65 85.91 Favored Glycine 0 CA--C 1.554 2.523 0 C-N-CA 121.126 -0.559 . . . . 20.0 113.453 172.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -70.14 139.08 52.38 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 117.351 0.576 . . . . 20.0 111.008 -177.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 21.4 m -105.16 144.6 31.73 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 116.321 -0.4 . . . . 20.0 111.094 -177.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -131.47 158.45 40.81 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 116.201 -0.454 . . . . 20.0 111.072 -175.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 5.7 tt -84.86 -26.28 6.82 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 CA-C-N 116.094 -0.503 . . . . 20.0 111.693 -172.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 41.2 p30 -153.82 172.78 16.81 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-O 120.864 0.364 . . . . 20.0 111.283 -178.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -67.82 -35.88 79.4 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.103 -0.499 . . . . 20.0 111.195 -175.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.2 mp0 -61.72 -48.52 80.38 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 116.515 -0.312 . . . . 20.0 111.005 -174.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -68.14 -44.33 76.29 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.633 -0.258 . . . . 20.0 110.868 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -56.81 -50.23 72.98 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 120.679 0.276 . . . . 20.0 111.072 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 36.6 t -58.73 -46.49 87.26 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.604 -0.271 . . . . 20.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 23.0 t -58.41 -41.19 84.39 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.757 0.313 . . . . 20.0 111.105 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -63.32 -50.6 69.37 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.542 -0.299 . . . . 20.0 111.159 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 63.5 mt -64.75 -37.66 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-O 120.534 0.207 . . . . 20.0 110.598 -176.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -64.71 -46.68 81.28 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.681 -0.236 . . . . 20.0 111.163 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 23.7 p -77.48 -33.08 54.64 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 111.711 0.263 . . . . 20.0 111.711 -174.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 69.2 t -95.18 -50.46 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 111.457 0.169 . . . . 20.0 111.457 -173.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 . . . . . 0 CA--C 1.555 1.16 0 CA-C-N 116.656 -0.247 . . . . 20.0 111.658 -172.061 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 111.608 0.225 . . . . 20.0 111.608 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -148.75 164.19 35.11 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 120.95 0.405 . . . . 20.0 111.332 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -139.42 146.05 39.65 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.84 -0.618 . . . . 20.0 110.52 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -103.48 124.57 49.0 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.892 0.377 . . . . 20.0 110.817 -177.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -99.49 151.0 37.28 Favored Pre-proline 0 CA--C 1.556 1.21 0 CA-C-N 116.071 -0.513 . . . . 20.0 110.552 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.5 146.09 65.41 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.793 2.329 . . . . 20.0 113.023 -175.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 43.0 t -85.25 119.37 25.56 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.981 -0.554 . . . . 20.0 110.042 170.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -134.17 -10.57 2.58 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 112.016 0.376 . . . . 20.0 112.016 -171.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 24.7 m -74.14 -19.08 60.69 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 111.597 0.221 . . . . 20.0 111.597 -174.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.3 pp -139.85 167.25 22.55 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 120.769 0.319 . . . . 20.0 110.809 176.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -78.41 113.42 16.39 Favored 'General case' 0 CA--C 1.556 1.207 0 CA-C-N 116.112 -0.495 . . . . 20.0 111.624 -170.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 23.0 pt -144.09 168.58 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 CA-C-N 115.861 -0.608 . . . . 20.0 110.204 173.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -69.25 141.56 54.38 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 110.056 -0.349 . . . . 20.0 110.056 170.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -112.0 91.5 3.68 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.007 0.432 . . . . 20.0 110.669 -173.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -56.22 142.74 36.19 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.83 -0.623 . . . . 20.0 110.993 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -65.51 -15.89 63.13 Favored 'General case' 0 CA--C 1.559 1.294 0 CA-C-N 116.443 -0.344 . . . . 20.0 111.902 -175.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -80.04 -19.04 48.54 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 122.398 -0.189 . . . . 20.0 111.103 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.766 0.317 . . . . 20.0 110.632 169.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 482' ' ' ASP . . . . . 0.426 ' CG ' HH12 ' A' ' 510' ' ' ARG . 10.9 p30 . . . . . 0 CA--C 1.556 1.196 0 CA-C-O 120.609 0.243 . . . . 20.0 111.084 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -160.21 173.82 15.16 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.51 0.324 . . . . 20.0 110.658 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -133.87 153.92 51.41 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.143 -0.48 . . . . 20.0 110.321 169.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -108.21 141.7 39.56 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.072 0.463 . . . . 20.0 110.999 -174.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 17.3 tp -137.04 115.46 11.85 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.719 -0.673 . . . . 20.0 110.321 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 33.2 mt -85.74 121.84 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-O 120.92 0.39 . . . . 20.0 110.542 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 42.3 t -137.0 129.04 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 115.817 -0.629 . . . . 20.0 110.12 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.74 36.13 20.36 Favored 'General case' 0 CA--C 1.565 1.538 0 CA-C-O 120.954 0.406 . . . . 20.0 111.227 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 78.89 5.13 88.79 Favored Glycine 0 CA--C 1.549 2.188 0 CA-C-N 116.375 -0.375 . . . . 20.0 112.862 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -113.19 137.27 51.72 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.511 0.325 . . . . 20.0 110.68 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 81.0 t -79.98 120.33 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 N-CA-C 110.249 -0.278 . . . . 20.0 110.249 174.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -101.88 151.42 22.11 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.218 172.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -116.51 127.22 54.34 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.215 -0.448 . . . . 20.0 109.978 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.3 mt -120.69 131.65 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.02 0.438 . . . . 20.0 111.206 -169.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 11.6 t -68.52 136.52 53.27 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.897 -0.592 . . . . 20.0 110.762 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 16.8 pt -68.62 -40.04 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 116.678 -0.237 . . . . 20.0 111.487 -176.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 49.1 t -60.89 -65.42 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 N-CA-C 111.929 0.344 . . . . 20.0 111.929 -176.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.7 p -105.11 -4.57 21.71 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 112.541 0.571 . . . . 20.0 112.541 -169.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 62.7 mttp 60.77 35.28 19.61 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 122.629 0.372 . . . . 20.0 111.891 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -71.89 129.65 39.11 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 110.003 -0.369 . . . . 20.0 110.003 169.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 30.8 p -95.33 144.98 25.43 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 120.958 0.409 . . . . 20.0 111.179 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -140.23 144.34 36.46 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.854 -0.612 . . . . 20.0 111.128 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 82.1 t -82.04 -17.21 11.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-N 115.946 -0.57 . . . . 20.0 110.84 175.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 59.6 m -135.75 135.15 39.73 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 120.826 0.346 . . . . 20.0 111.186 -177.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.87 -33.26 68.51 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 116.295 -0.411 . . . . 20.0 110.841 175.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 24.0 p -52.62 -45.51 66.63 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 120.707 0.289 . . . . 20.0 110.899 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 18.3 m -66.63 -41.43 88.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.425 -0.352 . . . . 20.0 110.924 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 6.3 tp -62.13 -47.06 86.26 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 116.43 -0.35 . . . . 20.0 111.013 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 510' ' ' ARG . . . . . 0.426 HH12 ' CG ' ' A' ' 482' ' ' ASP . 0.0 OUTLIER -63.63 -46.73 84.34 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 120.642 0.258 . . . . 20.0 110.679 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -56.0 -40.58 73.55 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 116.211 -0.45 . . . . 20.0 110.929 175.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -71.51 -45.15 63.21 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 116.471 -0.331 . . . . 20.0 111.426 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -59.74 -23.41 63.18 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 111.554 0.205 . . . . 20.0 111.554 -173.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.92 -26.4 62.16 Favored 'General case' 0 CA--C 1.562 1.442 0 C-N-CA 122.184 0.194 . . . . 20.0 110.989 175.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 35.1 mt -74.9 -20.15 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 122.482 0.313 . . . . 20.0 111.13 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -95.46 -44.76 7.39 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.641 0.258 . . . . 20.0 110.882 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 91.8 p -71.95 -37.06 70.04 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.437 -0.347 . . . . 20.0 111.324 -176.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 73.5 m95 50.35 31.57 5.47 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 121.195 0.522 . . . . 20.0 110.478 -169.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.3 -31.73 64.2 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.814 -0.63 . . . . 20.0 110.65 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -126.9 113.52 16.65 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.071 -0.513 . . . . 20.0 110.34 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -93.69 151.01 19.94 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 116.284 -0.416 . . . . 20.0 110.926 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -128.22 80.24 72.63 Favored Pre-proline 0 CA--C 1.552 1.039 0 CA-C-N 116.049 -0.523 . . . . 20.0 110.5 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -69.52 141.27 45.76 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.834 2.356 . . . . 20.0 112.395 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 53.4 t -74.98 143.06 43.81 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.278 -0.419 . . . . 20.0 110.608 174.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -76.07 -39.59 55.05 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 120.772 0.32 . . . . 20.0 111.031 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -84.32 -20.88 31.33 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-N 116.033 -0.531 . . . . 20.0 111.979 -169.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.9 p -142.27 163.42 32.9 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 120.791 0.329 . . . . 20.0 110.677 174.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -87.41 28.98 0.9 Allowed 'General case' 0 CA--C 1.562 1.434 0 N-CA-C 112.269 0.47 . . . . 20.0 112.269 -169.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.14 163.67 13.37 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 120.864 0.364 . . . . 20.0 111.103 176.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 21.3 t -128.53 138.44 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 116.025 -0.534 . . . . 20.0 110.851 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -106.44 150.84 40.0 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 116.028 -0.533 . . . . 20.0 110.605 175.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -86.23 -5.68 8.42 Favored 'Trans proline' 0 CA--C 1.55 1.285 0 C-N-CA 122.91 2.407 . . . . 20.0 112.617 176.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.8 mp -132.18 140.92 48.91 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.581 0.352 . . . . 20.0 110.106 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.04 94.24 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 120.634 0.254 . . . . 20.0 111.016 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.0 -39.53 93.58 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 116.667 -0.242 . . . . 20.0 111.052 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -59.71 -39.18 83.77 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 120.447 0.165 . . . . 20.0 110.605 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -50.77 69.56 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.548 -0.296 . . . . 20.0 110.504 173.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 37.7 m -53.61 -51.34 63.36 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 116.629 -0.259 . . . . 20.0 111.055 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -58.24 -38.26 76.53 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 120.578 0.227 . . . . 20.0 111.096 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -70.32 -40.96 73.88 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 120.581 0.229 . . . . 20.0 111.052 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -68.94 -27.93 66.19 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-O 120.556 0.217 . . . . 20.0 110.786 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 14.3 mt -66.01 -30.42 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 116.552 -0.295 . . . . 20.0 110.382 169.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -74.98 -28.65 60.64 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.281 -0.418 . . . . 20.0 111.125 175.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -76.2 -41.76 48.42 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 120.788 0.327 . . . . 20.0 110.908 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 18.6 p -82.21 -16.81 48.32 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 116.221 -0.445 . . . . 20.0 111.433 -176.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 78.94 14.56 81.87 Favored Glycine 0 CA--C 1.544 1.863 0 C-N-CA 121.522 -0.371 . . . . 20.0 112.801 175.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.7 109.82 1.53 Allowed 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.863 0.363 . . . . 20.0 111.0 -177.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -97.07 96.69 8.64 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.297 -0.41 . . . . 20.0 110.519 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 -95.61 -24.34 16.62 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 115.975 -0.557 . . . . 20.0 111.928 -171.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -88.02 93.88 9.62 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.842 0.353 . . . . 20.0 110.471 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -95.39 128.94 42.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.299 -0.41 . . . . 20.0 110.918 -176.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 44.5 t -69.16 146.97 52.01 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.046 -0.525 . . . . 20.0 109.898 170.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 95.6 mt -103.79 -16.58 15.38 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 116.762 -0.199 . . . . 20.0 111.235 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.06 -48.49 23.67 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 116.655 -0.248 . . . . 20.0 111.17 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.9 p -120.01 -3.49 10.14 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 111.97 0.359 . . . . 20.0 111.97 -175.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 82.5 -3.13 83.51 Favored Glycine 0 CA--C 1.556 2.65 0 C-N-CA 121.1 -0.571 . . . . 20.0 113.513 172.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -69.74 139.9 53.39 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 117.379 0.59 . . . . 20.0 111.04 -176.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 19.7 m -104.69 144.71 31.36 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 116.343 -0.389 . . . . 20.0 111.344 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -132.1 161.41 33.35 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.957 -0.565 . . . . 20.0 110.677 -179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -83.83 -24.52 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 N-CA-C 111.989 0.366 . . . . 20.0 111.989 -169.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 34.6 p30 -152.67 173.55 15.09 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 120.978 0.418 . . . . 20.0 111.432 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -65.58 -35.82 81.94 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.972 -0.558 . . . . 20.0 111.131 -176.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -63.05 -44.11 96.74 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 116.393 -0.367 . . . . 20.0 110.91 -174.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -69.33 -47.83 63.27 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.543 -0.299 . . . . 20.0 111.114 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -40.3 95.99 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 120.489 0.185 . . . . 20.0 110.838 -177.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 47.1 t -63.32 -46.97 84.19 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.745 -0.207 . . . . 20.0 110.71 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 21.7 t -60.64 -38.0 83.36 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.895 0.379 . . . . 20.0 110.994 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -65.1 -47.59 76.67 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.427 -0.351 . . . . 20.0 110.969 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 73.8 mt -63.98 -44.47 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 120.461 0.172 . . . . 20.0 111.015 -176.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -65.53 -37.14 85.87 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 121.342 -0.143 . . . . 20.0 111.267 -176.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 78.7 p -89.87 -28.52 19.19 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 111.905 0.335 . . . . 20.0 111.905 -171.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 70.6 t -95.46 -48.86 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 CA-C-O 120.548 0.213 . . . . 20.0 111.161 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 . . . . . 0 CA--C 1.552 1.052 0 CA-C-N 116.557 -0.292 . . . . 20.0 111.561 -173.098 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 111.772 0.286 . . . . 20.0 111.772 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -144.68 155.79 43.76 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.043 0.449 . . . . 20.0 111.343 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -132.78 134.29 44.52 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.695 -0.684 . . . . 20.0 110.083 175.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -103.8 111.82 24.5 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 120.941 0.4 . . . . 20.0 110.769 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -85.95 158.17 56.35 Favored Pre-proline 0 CA--C 1.555 1.149 0 CA-C-N 116.125 -0.488 . . . . 20.0 110.969 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -64.9 158.52 50.85 Favored 'Trans proline' 0 CA--C 1.546 1.096 0 C-N-CA 122.376 2.051 . . . . 20.0 112.147 174.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 27.0 t -93.32 126.85 38.66 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 116.31 -0.404 . . . . 20.0 110.382 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -116.36 -18.98 10.34 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 116.571 -0.286 . . . . 20.0 111.525 -176.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 39.4 m -69.48 -23.1 63.59 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 111.6 0.222 . . . . 20.0 111.6 -175.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.2 pp -145.1 163.56 33.93 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 120.767 0.318 . . . . 20.0 110.945 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -83.25 119.47 24.61 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 116.208 -0.451 . . . . 20.0 111.523 -170.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 25.9 pt -144.52 169.44 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-N 115.767 -0.652 . . . . 20.0 110.085 173.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -72.39 137.82 46.79 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 110.09 -0.337 . . . . 20.0 110.09 171.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -112.04 96.22 5.92 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.152 -0.476 . . . . 20.0 110.7 -171.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -65.73 153.35 42.02 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 116.012 -0.54 . . . . 20.0 111.134 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.06 -13.34 62.38 Favored 'General case' 0 CA--C 1.559 1.3 0 CA-C-N 116.024 -0.535 . . . . 20.0 111.966 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -80.37 -24.09 40.01 Favored 'General case' 0 CA--C 1.554 1.105 0 O-C-N 122.387 -0.195 . . . . 20.0 111.114 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.93 0.395 . . . . 20.0 110.201 169.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 25.6 p30 . . . . . 0 CA--C 1.554 1.134 0 CA-C-O 120.711 0.291 . . . . 20.0 111.194 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 483' ' ' HIS . . . . . 0.473 ' HB3' HD21 ' A' ' 509' ' ' LEU . 57.0 p-80 -160.22 176.2 12.02 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 120.866 0.365 . . . . 20.0 111.108 178.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -136.61 158.51 44.27 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.811 -0.631 . . . . 20.0 110.294 169.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -98.57 142.32 30.3 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.91 0.386 . . . . 20.0 110.864 -177.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.2 tp -140.84 111.51 6.94 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.059 -0.519 . . . . 20.0 110.411 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 24.1 mt -81.61 124.61 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 120.884 0.373 . . . . 20.0 110.653 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 44.0 t -138.43 126.61 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 115.859 -0.61 . . . . 20.0 110.235 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 40.2 t0 50.09 40.65 22.12 Favored 'General case' 0 CA--C 1.564 1.484 0 CA-C-O 121.056 0.455 . . . . 20.0 111.2 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.7 -24.24 11.02 Favored Glycine 0 CA--C 1.547 2.081 0 CA-C-N 116.228 -0.442 . . . . 20.0 112.948 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -87.98 140.66 29.27 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 116.908 0.354 . . . . 20.0 111.024 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 59.8 t -83.07 117.81 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 116.378 -0.374 . . . . 20.0 110.064 170.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -95.92 157.17 16.02 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.405 -0.361 . . . . 20.0 110.263 172.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -123.38 125.09 44.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 20.0 110.122 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.1 mt -118.71 128.51 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-O 120.929 0.395 . . . . 20.0 111.152 -170.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 7.1 t -65.84 137.37 57.16 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.098 -0.501 . . . . 20.0 110.888 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 34.0 pt -68.58 -40.04 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 111.681 0.252 . . . . 20.0 111.681 -177.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.82 -64.2 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-O 120.739 0.304 . . . . 20.0 111.796 -175.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.1 p -105.18 -4.94 21.17 Favored 'General case' 0 CA--C 1.557 1.243 0 N-CA-C 112.383 0.512 . . . . 20.0 112.383 -169.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 58.13 40.71 24.83 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 122.643 0.377 . . . . 20.0 111.682 -176.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 63.3 mtt85 -83.86 132.65 34.78 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 116.318 -0.401 . . . . 20.0 110.088 169.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 29.6 p -96.47 146.43 24.8 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 121.035 0.445 . . . . 20.0 111.379 -175.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -138.21 138.41 38.51 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.685 -0.688 . . . . 20.0 110.725 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 79.0 t -76.77 -17.75 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 116.139 -0.482 . . . . 20.0 110.895 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 74.8 m -133.3 135.72 45.03 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.813 0.339 . . . . 20.0 111.032 -178.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 19.9 mt -58.96 -33.7 70.95 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 116.271 -0.422 . . . . 20.0 110.977 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 33.0 p -56.91 -42.1 79.32 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 120.619 0.247 . . . . 20.0 110.973 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 14.5 m -65.57 -39.44 91.66 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.507 -0.315 . . . . 20.0 110.813 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.473 HD21 ' HB3' ' A' ' 483' ' ' HIS . 9.0 tp -63.67 -42.82 98.0 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 116.419 -0.355 . . . . 20.0 110.936 178.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -62.35 -44.31 96.77 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 110.256 -0.276 . . . . 20.0 110.256 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -57.23 -44.27 83.65 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 115.951 -0.568 . . . . 20.0 110.817 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -69.27 -49.39 56.5 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.27 -0.423 . . . . 20.0 111.318 -175.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -61.99 -20.96 64.44 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 116.846 -0.161 . . . . 20.0 111.386 -172.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -21.77 61.67 Favored 'General case' 0 CA--C 1.56 1.333 0 CA-C-O 120.552 0.215 . . . . 20.0 111.177 174.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 30.7 mt -79.15 -20.87 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-O 120.657 0.265 . . . . 20.0 111.024 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -95.04 -37.52 11.08 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.627 0.251 . . . . 20.0 110.939 177.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 88.7 p -83.29 -33.58 25.94 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.451 -0.34 . . . . 20.0 111.458 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 64.7 m95 50.26 40.15 21.65 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 121.261 0.553 . . . . 20.0 110.464 -169.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -64.67 -30.29 71.31 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.805 -0.634 . . . . 20.0 110.907 177.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -136.53 123.56 21.54 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.269 -0.423 . . . . 20.0 110.636 177.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -91.31 145.39 24.69 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.193 -0.458 . . . . 20.0 110.248 171.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -123.97 79.93 57.58 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 116.186 -0.461 . . . . 20.0 110.301 176.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.63 135.75 16.49 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.766 2.311 . . . . 20.0 112.318 -178.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 52.7 t -68.57 148.13 50.96 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.891 -0.595 . . . . 20.0 110.654 176.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -79.56 -38.25 34.55 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 116.396 -0.365 . . . . 20.0 110.861 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -85.77 -20.87 28.59 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 116.373 -0.376 . . . . 20.0 111.867 -170.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 14.6 p -142.58 167.98 20.8 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.848 0.356 . . . . 20.0 110.8 175.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.66 8.57 7.7 Favored 'General case' 0 CA--C 1.564 1.507 0 N-CA-C 112.038 0.384 . . . . 20.0 112.038 -172.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -68.86 137.72 54.13 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 120.684 0.278 . . . . 20.0 111.125 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 13.2 t -115.75 138.07 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 116.162 -0.472 . . . . 20.0 110.695 173.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -111.08 152.49 43.74 Favored Pre-proline 0 CA--C 1.541 0.617 0 CA-C-N 116.004 -0.544 . . . . 20.0 110.629 175.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -86.48 -1.57 8.37 Favored 'Trans proline' 0 CA--C 1.559 1.725 0 C-N-CA 123.015 2.476 . . . . 20.0 112.504 172.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 7.4 mp -131.67 143.18 50.1 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.696 0.399 . . . . 20.0 110.168 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -71.41 -43.66 66.37 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 120.612 0.244 . . . . 20.0 111.165 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -59.48 -35.87 74.94 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 120.628 0.252 . . . . 20.0 110.889 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -64.13 -37.85 88.96 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.543 -0.299 . . . . 20.0 110.888 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -58.17 -49.5 76.81 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.009 0.433 . . . . 20.0 110.241 174.401 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . 0.466 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 90.8 m -61.9 -56.86 14.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.816 -0.629 . . . . 20.0 111.06 -175.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -59.5 -35.04 73.38 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.705 -0.225 . . . . 20.0 111.119 -177.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -67.79 -46.16 72.75 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-O 120.68 0.276 . . . . 20.0 111.004 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -68.72 -27.38 65.88 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.725 -0.216 . . . . 20.0 111.19 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 21.4 mt -63.96 -32.32 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-O 120.554 0.216 . . . . 20.0 110.523 170.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' HIS . . . . . 0.421 ' HA ' HD11 ' A' ' 560' ' ' ILE . 5.2 t-160 -76.98 -28.61 55.17 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 116.538 -0.301 . . . . 20.0 111.082 177.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -72.27 -42.02 66.04 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 120.677 0.275 . . . . 20.0 110.899 174.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 28.7 p -85.36 -14.15 47.29 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 116.493 -0.322 . . . . 20.0 111.638 -174.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 74.14 14.89 80.19 Favored Glycine 0 CA--C 1.543 1.828 0 C-N-CA 121.407 -0.425 . . . . 20.0 112.518 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.62 115.81 3.01 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 120.888 0.375 . . . . 20.0 111.082 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 60.9 mmt-85 -72.55 144.66 47.85 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 116.241 -0.436 . . . . 20.0 110.416 176.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 58.9 ttt85 -134.83 -60.83 0.77 Allowed 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 116.049 -0.523 . . . . 20.0 111.187 -171.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -89.61 108.38 19.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.366 . . . . 20.0 110.664 -176.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -92.54 120.02 32.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 20.0 110.592 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 41.8 t -65.43 146.56 54.73 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 110.053 -0.351 . . . . 20.0 110.053 172.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 94.5 mt -108.42 -18.95 13.62 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.531 -0.304 . . . . 20.0 111.288 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.14 -50.09 17.43 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.666 -0.243 . . . . 20.0 111.305 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 29.2 p -120.08 0.91 10.83 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 112.032 0.382 . . . . 20.0 112.032 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 80.03 3.58 89.49 Favored Glycine 0 CA--C 1.556 2.646 0 C-N-CA 120.9 -0.667 . . . . 20.0 113.616 171.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -73.81 137.85 44.11 Favored 'General case' 0 N--CA 1.488 1.425 0 CA-C-N 117.553 0.677 . . . . 20.0 110.994 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 4.5 m -100.8 140.99 34.3 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 116.232 -0.44 . . . . 20.0 110.974 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -124.27 153.91 41.01 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 120.96 0.409 . . . . 20.0 111.048 -177.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . 0.421 HD11 ' HA ' ' A' ' 543' ' ' HIS . 8.8 tt -85.8 -29.61 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 116.041 -0.527 . . . . 20.0 111.627 -172.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -147.32 168.94 20.51 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 120.975 0.417 . . . . 20.0 111.012 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -67.78 -34.74 77.37 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.044 -0.525 . . . . 20.0 111.164 -172.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -63.48 -44.0 95.69 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 116.424 -0.353 . . . . 20.0 110.894 -175.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -67.6 -47.19 70.42 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.407 -0.36 . . . . 20.0 110.679 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 4.6 ttp -55.27 -47.32 75.65 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 120.713 0.292 . . . . 20.0 110.962 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 25.3 t -61.92 -47.82 83.19 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.394 -0.366 . . . . 20.0 110.808 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 29.9 t -58.25 -42.55 86.63 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.464 -0.335 . . . . 20.0 110.994 177.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -62.63 -51.27 67.92 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.332 -0.395 . . . . 20.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.05 -38.17 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-O 120.572 0.225 . . . . 20.0 110.749 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -68.87 -42.62 76.77 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.723 -0.217 . . . . 20.0 111.265 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 50.0 p -81.2 -33.03 33.24 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 111.892 0.33 . . . . 20.0 111.892 -174.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 70.7 t -95.01 -47.17 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 CA-C-O 120.416 0.151 . . . . 20.0 111.397 -172.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 . . . . . 0 CA--C 1.55 0.969 0 CA-C-N 116.662 -0.245 . . . . 20.0 111.411 -174.08 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 N--CA 1.484 1.252 0 CA-C-O 120.524 0.202 . . . . 20.0 111.499 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -147.28 162.93 37.94 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 120.952 0.406 . . . . 20.0 111.264 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -132.08 139.24 48.44 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.951 -0.568 . . . . 20.0 110.469 177.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.28 128.87 36.53 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 116.335 -0.393 . . . . 20.0 110.849 -175.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -112.65 154.09 44.82 Favored Pre-proline 0 N--CA 1.487 1.377 0 CA-C-N 116.552 -0.295 . . . . 20.0 110.985 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -70.77 156.67 60.27 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.672 2.248 . . . . 20.0 112.859 -174.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 41.5 t -98.62 128.33 44.88 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 116.006 -0.543 . . . . 20.0 110.411 172.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -128.36 -16.46 4.41 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 116.353 -0.385 . . . . 20.0 111.662 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 96.3 p -62.33 -27.53 69.12 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 111.578 0.214 . . . . 20.0 111.578 -177.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.8 pp -137.72 163.41 31.38 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 120.889 0.376 . . . . 20.0 110.879 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -86.73 109.72 19.41 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 116.135 -0.484 . . . . 20.0 111.247 -171.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 26.7 pt -143.91 168.13 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 115.917 -0.583 . . . . 20.0 110.278 171.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -72.45 142.11 48.61 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.972 -0.381 . . . . 20.0 109.972 170.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -127.4 116.84 21.09 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.081 0.467 . . . . 20.0 110.743 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -67.53 158.28 32.34 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.65 -0.705 . . . . 20.0 111.176 -178.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.42 -9.99 56.02 Favored 'General case' 0 CA--C 1.56 1.333 0 CA-C-N 116.349 -0.387 . . . . 20.0 111.879 -176.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -77.19 -21.69 53.55 Favored 'General case' 0 CA--C 1.554 1.123 0 O-C-N 122.304 -0.248 . . . . 20.0 110.856 174.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 109.846 -0.427 . . . . 20.0 109.846 169.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 3.1 p30 . . . . . 0 CA--C 1.554 1.12 0 CA-C-O 120.836 0.351 . . . . 20.0 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 483' ' ' HIS . . . . . 0.474 ' HB3' HD21 ' A' ' 509' ' ' LEU . 56.7 p-80 -160.7 177.59 10.31 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.287 -0.415 . . . . 20.0 110.534 178.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -136.5 158.02 45.41 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.031 -0.531 . . . . 20.0 110.012 169.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -103.52 140.2 37.83 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.923 0.392 . . . . 20.0 110.954 -176.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.3 tp -138.09 115.23 10.95 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.895 -0.593 . . . . 20.0 110.308 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 30.3 mt -85.79 123.06 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-O 120.995 0.426 . . . . 20.0 110.526 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 45.5 t -137.27 129.29 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 115.765 -0.652 . . . . 20.0 110.068 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.92 34.91 17.81 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-O 121.056 0.455 . . . . 20.0 111.344 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.33 3.19 88.48 Favored Glycine 0 CA--C 1.55 2.238 0 CA-C-N 116.307 -0.406 . . . . 20.0 112.881 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -109.59 135.77 50.03 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.519 0.328 . . . . 20.0 110.591 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 97.8 t -80.03 119.22 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-O 120.727 0.299 . . . . 20.0 110.313 174.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -102.57 153.65 19.89 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.287 -0.415 . . . . 20.0 110.213 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -118.68 127.1 53.25 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.118 -0.492 . . . . 20.0 109.968 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 5.3 mt -121.08 128.83 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 120.803 0.335 . . . . 20.0 111.019 -170.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 8.4 t -65.7 137.09 57.07 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.206 -0.452 . . . . 20.0 110.585 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 22.1 pt -68.62 -39.77 80.87 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 CA-C-N 116.676 -0.238 . . . . 20.0 111.559 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 47.7 t -60.92 -63.95 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 111.935 0.346 . . . . 20.0 111.935 -176.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.5 p -105.11 -5.28 20.96 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 112.457 0.539 . . . . 20.0 112.457 -169.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 58.06 35.89 25.56 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 122.572 0.349 . . . . 20.0 111.883 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -76.67 132.78 39.56 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 109.874 -0.417 . . . . 20.0 109.874 169.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 24.6 p -95.28 143.16 26.9 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.034 0.445 . . . . 20.0 111.26 -175.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -135.4 138.69 43.53 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.647 -0.706 . . . . 20.0 110.964 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 53.5 t -77.71 -18.33 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 115.989 -0.551 . . . . 20.0 110.866 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 84.3 m -127.45 161.0 29.75 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 120.976 0.417 . . . . 20.0 110.804 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 20.3 mt -82.42 -34.96 28.05 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.229 -0.441 . . . . 20.0 110.499 172.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 24.4 p -55.01 -45.18 75.08 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 116.551 -0.295 . . . . 20.0 111.241 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 4.9 p -66.6 -35.73 80.89 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 116.54 -0.3 . . . . 20.0 111.078 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.474 HD21 ' HB3' ' A' ' 483' ' ' HIS . 5.0 tp -64.68 -45.66 85.74 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 116.627 -0.261 . . . . 20.0 110.977 177.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -60.44 -49.04 79.15 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 120.627 0.251 . . . . 20.0 110.369 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -50.58 -47.08 58.07 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 116.038 -0.528 . . . . 20.0 110.628 173.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -68.26 -44.17 76.2 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.211 -0.45 . . . . 20.0 111.413 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -58.84 -26.53 64.27 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-O 120.545 0.212 . . . . 20.0 111.266 -173.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -23.94 63.36 Favored 'General case' 0 CA--C 1.561 1.376 0 CA-C-N 116.705 -0.225 . . . . 20.0 111.306 176.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 39.3 mt -75.42 -21.21 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 C-N-CA 122.414 0.286 . . . . 20.0 111.035 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -93.74 -41.87 9.45 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.684 0.278 . . . . 20.0 110.929 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 89.7 p -75.86 -36.29 59.63 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.519 -0.309 . . . . 20.0 111.297 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 58.5 m95 50.21 30.84 4.61 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-O 121.168 0.509 . . . . 20.0 110.37 -169.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -67.18 -31.3 71.61 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.874 -0.603 . . . . 20.0 110.715 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -131.35 121.31 24.45 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.202 -0.454 . . . . 20.0 110.512 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -94.24 149.28 21.38 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.138 -0.483 . . . . 20.0 110.812 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -121.01 80.0 34.02 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 116.034 -0.53 . . . . 20.0 110.326 173.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.32 142.59 30.36 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.745 2.296 . . . . 20.0 112.404 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 33.6 t -74.63 141.36 44.66 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.932 -0.576 . . . . 20.0 110.753 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -75.54 -38.16 59.51 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 116.446 -0.343 . . . . 20.0 110.735 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -85.23 -22.12 28.8 Favored 'General case' 0 CA--C 1.56 1.351 0 CA-C-N 115.904 -0.589 . . . . 20.0 111.959 -169.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 9.4 p -145.02 169.83 17.33 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 120.841 0.353 . . . . 20.0 110.895 175.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.75 6.65 10.32 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 112.166 0.432 . . . . 20.0 112.166 -170.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -68.94 151.56 46.39 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 120.816 0.341 . . . . 20.0 111.038 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 17.2 t -129.94 140.14 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 CA-C-N 116.137 -0.483 . . . . 20.0 110.829 175.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -114.74 150.85 44.71 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 116.041 -0.527 . . . . 20.0 110.837 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -85.1 -4.27 9.61 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 C-N-CA 122.952 2.435 . . . . 20.0 112.799 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.4 mp -132.52 144.09 50.19 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.566 0.347 . . . . 20.0 110.39 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.44 91.14 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 116.341 -0.39 . . . . 20.0 111.09 175.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -63.48 -48.53 77.29 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 120.777 0.322 . . . . 20.0 110.916 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -61.73 -34.7 76.27 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.243 -0.435 . . . . 20.0 110.501 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . 0.471 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -57.93 -63.02 1.4 Allowed 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.287 -0.415 . . . . 20.0 110.063 169.769 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . 0.471 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 63.6 m -50.24 -50.33 50.25 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.045 -0.525 . . . . 20.0 111.123 -174.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -62.47 -36.75 83.45 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.566 -0.288 . . . . 20.0 111.075 -177.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -70.56 -41.1 72.88 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 120.554 0.216 . . . . 20.0 111.122 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.97 -41.38 87.4 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 120.722 0.296 . . . . 20.0 110.413 175.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 61.3 mt -62.94 -31.51 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 116.471 -0.331 . . . . 20.0 110.84 176.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' HIS . . . . . 0.537 ' HA ' HD11 ' A' ' 560' ' ' ILE . 4.3 t-80 -68.8 -26.41 65.18 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.636 -0.256 . . . . 20.0 110.665 177.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -82.13 -38.35 24.88 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 116.844 -0.162 . . . . 20.0 111.185 176.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 62.6 p -74.48 -36.22 63.27 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 120.672 0.273 . . . . 20.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 85.77 16.1 64.25 Favored Glycine 0 CA--C 1.541 1.692 0 C-N-CA 121.567 -0.349 . . . . 20.0 112.593 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.4 120.7 8.66 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 120.866 0.365 . . . . 20.0 111.449 -175.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -82.34 79.98 8.66 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.032 0.444 . . . . 20.0 110.432 174.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -86.73 -28.46 23.05 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 115.975 -0.557 . . . . 20.0 111.535 -174.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -99.01 110.14 22.79 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.156 0.182 . . . . 20.0 110.732 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -107.27 130.41 54.76 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.885 0.374 . . . . 20.0 110.968 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 49.2 t -69.62 147.79 50.21 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.033 -0.53 . . . . 20.0 110.136 170.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 80.9 mt -104.89 -17.01 14.7 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 116.734 -0.212 . . . . 20.0 111.436 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.23 -49.69 18.56 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 116.74 -0.209 . . . . 20.0 111.066 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 32.0 p -120.04 -2.36 10.25 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 111.952 0.353 . . . . 20.0 111.952 -176.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 81.25 -4.3 72.72 Favored Glycine 0 CA--C 1.555 2.581 0 C-N-CA 121.165 -0.541 . . . . 20.0 113.388 173.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -71.38 140.1 50.03 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 117.316 0.558 . . . . 20.0 110.833 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 50.4 m -111.91 154.6 24.96 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 121.009 0.433 . . . . 20.0 111.617 -175.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -135.67 166.46 23.2 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.717 -0.674 . . . . 20.0 110.717 -176.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' ' 543' ' ' HIS . 12.5 tt -88.54 -23.19 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 CA-C-N 116.154 -0.475 . . . . 20.0 111.867 -171.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -151.31 170.18 20.14 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-O 121.022 0.439 . . . . 20.0 111.288 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -66.79 -34.31 77.55 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.896 -0.593 . . . . 20.0 111.353 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 28.7 mp0 -64.25 -48.64 75.02 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 116.678 -0.237 . . . . 20.0 110.95 -175.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -64.17 -42.77 96.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.632 -0.258 . . . . 20.0 110.729 176.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 37.8 ttp -58.79 -50.78 72.69 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.447 -0.342 . . . . 20.0 111.053 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 24.8 t -61.46 -43.79 98.25 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.609 0.242 . . . . 20.0 110.789 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 22.7 t -58.76 -42.51 89.07 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.45 -0.341 . . . . 20.0 110.906 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -63.56 -47.55 81.1 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 116.499 -0.319 . . . . 20.0 111.144 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.06 -41.38 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-O 120.635 0.255 . . . . 20.0 110.504 -178.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -65.66 -44.99 84.65 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.564 -0.289 . . . . 20.0 110.914 178.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 41.6 m -74.65 -37.17 62.81 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 111.834 0.309 . . . . 20.0 111.834 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 76.9 t -97.0 -46.85 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 CA-C-O 120.548 0.213 . . . . 20.0 111.497 -171.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 . . . . . 0 CA--C 1.549 0.93 0 CA-C-N 116.558 -0.292 . . . . 20.0 111.509 -174.111 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 120.596 0.236 . . . . 20.0 111.223 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -147.04 162.47 38.73 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 120.994 0.426 . . . . 20.0 111.36 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -136.32 139.3 42.5 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.781 -0.645 . . . . 20.0 110.336 173.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -99.04 120.29 39.21 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.25 -0.432 . . . . 20.0 110.376 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -94.52 157.6 36.93 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-N 116.266 -0.425 . . . . 20.0 110.847 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.3 143.09 99.85 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.642 2.228 . . . . 20.0 112.428 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 47.0 t -87.42 120.4 28.67 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.175 -0.466 . . . . 20.0 110.402 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -129.82 -13.56 4.14 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 116.362 -0.381 . . . . 20.0 111.981 -173.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 57.1 p -69.49 -22.98 63.57 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 111.568 0.21 . . . . 20.0 111.568 -176.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.5 pp -144.69 172.21 13.31 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-O 120.928 0.394 . . . . 20.0 111.021 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -89.43 107.26 18.97 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 116.143 -0.48 . . . . 20.0 111.621 -170.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 29.6 pt -146.31 169.67 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 CA-C-N 115.801 -0.636 . . . . 20.0 109.753 169.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -75.38 143.53 42.75 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 110.072 -0.344 . . . . 20.0 110.072 173.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -125.71 115.58 20.31 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.013 0.435 . . . . 20.0 110.622 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -59.25 151.55 22.9 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.668 -0.696 . . . . 20.0 110.985 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.7 -10.08 42.96 Favored 'General case' 0 CA--C 1.558 1.26 0 N-CA-C 112.029 0.381 . . . . 20.0 112.029 -175.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -80.12 -15.0 58.05 Favored 'General case' 0 CA--C 1.557 1.238 0 O-C-N 122.365 -0.21 . . . . 20.0 111.083 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 120.909 0.385 . . . . 20.0 110.2 169.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 47.7 p-10 . . . . . 0 CA--C 1.551 0.995 0 CA-C-O 120.69 0.281 . . . . 20.0 111.145 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 483' ' ' HIS . . . . . 0.489 ' HB3' HD21 ' A' ' 509' ' ' LEU . 51.8 p-80 -160.98 176.9 10.9 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.999 0.428 . . . . 20.0 111.276 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -134.49 153.82 51.74 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.502 -0.772 . . . . 20.0 109.659 169.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -102.52 130.74 49.44 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.072 0.463 . . . . 20.0 110.909 -173.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 12.7 tp -131.16 117.28 18.83 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.695 -0.684 . . . . 20.0 110.362 -175.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 21.1 mt -86.96 122.68 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 120.924 0.392 . . . . 20.0 110.514 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 45.9 t -134.57 125.38 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 115.93 -0.577 . . . . 20.0 110.201 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 37.6 t0 50.55 40.12 22.77 Favored 'General case' 0 CA--C 1.564 1.495 0 CA-C-O 121.041 0.448 . . . . 20.0 111.08 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 86.96 -21.51 19.38 Favored Glycine 0 CA--C 1.549 2.213 0 CA-C-N 116.188 -0.46 . . . . 20.0 112.938 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 56.0 mtt85 -88.96 136.44 33.01 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.895 0.347 . . . . 20.0 111.032 -177.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 95.9 t -80.06 122.64 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 116.474 -0.33 . . . . 20.0 110.17 171.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -105.36 153.03 22.21 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.266 -0.425 . . . . 20.0 110.275 173.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -117.97 118.89 33.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 20.0 110.064 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.7 mt -112.08 124.35 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 116.453 -0.34 . . . . 20.0 110.837 -171.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.4 t -63.48 137.87 58.3 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.268 -0.424 . . . . 20.0 110.566 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 31.0 pt -69.81 -39.21 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 116.636 -0.256 . . . . 20.0 111.613 -176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.03 -64.68 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 111.775 0.287 . . . . 20.0 111.775 -176.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 26.7 p -105.07 -4.77 21.54 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 112.383 0.512 . . . . 20.0 112.383 -169.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt 57.89 41.3 24.88 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 122.556 0.343 . . . . 20.0 111.785 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -82.3 131.61 35.23 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 116.354 -0.385 . . . . 20.0 110.003 169.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 39.6 p -93.74 131.75 38.79 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.501 -0.318 . . . . 20.0 111.111 -176.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -123.13 140.59 52.86 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.024 -0.534 . . . . 20.0 111.001 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 74.2 t -79.01 -19.53 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-N 116.068 -0.514 . . . . 20.0 110.946 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 71.3 m -132.75 136.82 46.59 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.731 0.3 . . . . 20.0 111.0 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 18.1 mt -59.02 -36.33 74.78 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.294 -0.412 . . . . 20.0 110.729 176.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 18.2 p -51.49 -41.9 61.27 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 120.584 0.23 . . . . 20.0 111.016 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 17.1 m -67.47 -41.81 83.99 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.488 -0.323 . . . . 20.0 110.973 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 483' ' ' HIS . 5.7 tp -61.58 -50.02 74.29 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.484 -0.325 . . . . 20.0 111.014 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -62.73 -45.47 92.59 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 120.752 0.31 . . . . 20.0 110.536 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -58.95 -40.93 86.19 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.865 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -69.24 -44.69 71.48 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 116.255 -0.429 . . . . 20.0 111.283 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.36 -23.6 64.41 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 111.44 0.163 . . . . 20.0 111.44 -173.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -22.06 61.58 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-O 120.499 0.19 . . . . 20.0 111.107 175.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 36.6 mt -77.98 -21.1 13.63 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 C-N-CA 122.411 0.284 . . . . 20.0 111.037 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -95.07 -41.49 9.1 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.657 0.265 . . . . 20.0 110.904 177.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 91.6 p -81.84 -33.29 30.75 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.406 -0.361 . . . . 20.0 111.389 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 52.7 m95 51.13 37.96 19.59 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 121.255 0.55 . . . . 20.0 110.666 -170.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -64.41 -32.2 73.73 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.846 -0.616 . . . . 20.0 111.031 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -131.84 122.39 25.65 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.37 -0.377 . . . . 20.0 110.492 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -92.78 144.27 25.46 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.227 -0.442 . . . . 20.0 110.584 175.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 522' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 534' ' ' ALA . 90.2 m-85 -122.42 80.53 46.11 Favored Pre-proline 0 CA--C 1.545 0.755 0 CA-C-N 116.229 -0.441 . . . . 20.0 110.412 176.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.79 143.98 27.23 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.772 2.315 . . . . 20.0 112.588 -176.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 51.0 t -79.63 143.4 34.72 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.953 -0.567 . . . . 20.0 110.65 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -77.64 -37.23 50.48 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-O 120.849 0.357 . . . . 20.0 110.839 176.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -83.16 -24.06 32.67 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 115.893 -0.594 . . . . 20.0 111.795 -169.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.1 p -145.02 172.91 12.39 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-O 120.824 0.345 . . . . 20.0 110.767 175.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -82.87 9.99 8.75 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 112.22 0.452 . . . . 20.0 112.22 -169.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -70.31 149.9 46.9 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 120.87 0.366 . . . . 20.0 111.328 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 16.1 t -128.62 134.79 63.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 115.7 -0.682 . . . . 20.0 110.298 169.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -113.52 153.07 45.83 Favored Pre-proline 0 CA--C 1.543 0.711 0 CA-C-N 116.233 -0.439 . . . . 20.0 110.686 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -83.4 -5.07 11.0 Favored 'Trans proline' 0 CA--C 1.552 1.387 0 C-N-CA 122.934 2.423 . . . . 20.0 112.926 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.5 mp -131.51 142.56 49.98 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.549 0.34 . . . . 20.0 110.289 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . 0.414 ' HB2' ' CE1' ' A' ' 522' ' ' TYR . . . -64.76 -43.54 92.99 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.623 0.249 . . . . 20.0 111.037 178.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -62.78 -38.21 89.72 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.548 -0.296 . . . . 20.0 110.92 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -61.74 -39.41 91.5 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.799 -0.182 . . . . 20.0 110.777 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -62.03 -52.09 65.35 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.586 -0.279 . . . . 20.0 110.439 173.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 37.3 m -55.63 -52.09 64.99 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.603 -0.271 . . . . 20.0 111.248 -177.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -61.74 -39.04 90.18 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-O 120.451 0.167 . . . . 20.0 111.107 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -62.88 -44.99 94.64 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 120.768 0.318 . . . . 20.0 110.698 176.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -68.21 -26.3 65.64 Favored 'General case' 0 CA--C 1.554 1.13 0 O-C-N 122.293 -0.255 . . . . 20.0 111.007 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 3.6 mt -64.97 -30.56 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-O 120.543 0.211 . . . . 20.0 110.655 171.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -71.63 -28.08 63.54 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 116.717 -0.22 . . . . 20.0 110.864 174.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -77.0 -41.82 41.24 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-O 120.5 0.191 . . . . 20.0 110.982 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 58.4 p -79.06 -19.78 50.48 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 116.805 -0.179 . . . . 20.0 111.345 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 78.56 17.15 78.16 Favored Glycine 0 CA--C 1.544 1.893 0 C-N-CA 121.506 -0.378 . . . . 20.0 112.664 177.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -60.37 109.43 1.0 Allowed 'General case' 0 CA--C 1.553 1.091 0 CA-C-O 120.902 0.382 . . . . 20.0 111.133 -176.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -91.86 90.51 7.5 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.074 0.464 . . . . 20.0 110.234 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 11.6 mtp85 -83.91 -31.87 25.44 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 115.561 -0.745 . . . . 20.0 111.888 -169.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -91.79 98.97 11.94 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.515 -0.311 . . . . 20.0 110.858 -169.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -90.21 123.23 33.85 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 120.872 0.368 . . . . 20.0 110.948 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 34.0 t -79.42 100.07 7.48 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.157 -0.474 . . . . 20.0 110.585 176.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.64 -14.82 34.29 Favored 'General case' 0 CA--C 1.558 1.272 0 N-CA-C 111.995 0.369 . . . . 20.0 111.995 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.04 -50.06 17.73 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-O 120.438 0.161 . . . . 20.0 111.297 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 28.7 p -120.08 -5.24 10.02 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 111.87 0.322 . . . . 20.0 111.87 -175.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 91.69 -6.85 79.96 Favored Glycine 0 CA--C 1.551 2.336 0 C-N-CA 121.543 -0.361 . . . . 20.0 113.339 174.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -76.32 134.69 39.66 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 117.303 0.551 . . . . 20.0 111.032 -175.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 61.6 m -105.51 148.62 27.02 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 116.478 -0.328 . . . . 20.0 110.994 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -128.61 158.58 38.1 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.323 -0.399 . . . . 20.0 111.109 -177.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.9 tt -77.07 -24.87 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 CA-C-N 116.195 -0.457 . . . . 20.0 111.696 -173.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 48.4 p30 -152.1 169.97 21.09 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 121.027 0.442 . . . . 20.0 111.114 -175.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -64.67 -36.87 85.68 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.871 -0.604 . . . . 20.0 111.165 -177.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -59.66 -47.04 87.2 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.545 -0.298 . . . . 20.0 111.123 -174.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -67.44 -45.21 76.69 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.652 -0.249 . . . . 20.0 110.806 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 14.5 ttp -57.32 -48.43 78.97 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 120.759 0.314 . . . . 20.0 111.008 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 35.0 t -63.9 -48.44 76.61 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.409 -0.36 . . . . 20.0 110.981 -177.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 25.9 t -57.29 -41.53 79.97 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.508 -0.315 . . . . 20.0 110.813 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -64.79 -49.19 71.67 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.364 -0.38 . . . . 20.0 111.304 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 83.3 mt -63.23 -39.99 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-O 120.609 0.242 . . . . 20.0 110.653 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -68.19 -40.22 82.27 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.649 -0.25 . . . . 20.0 111.198 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 36.6 m -82.18 -34.85 28.85 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 111.75 0.278 . . . . 20.0 111.75 -173.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 74.5 t -97.98 -45.23 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 CA-C-N 116.817 -0.174 . . . . 20.0 111.377 -171.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 . . . . . 0 CA--C 1.552 1.028 0 CA-C-N 116.707 -0.224 . . . . 20.0 111.257 -175.139 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 N--CA 1.484 1.252 0 N-CA-C 111.617 0.228 . . . . 20.0 111.617 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -141.56 153.22 44.7 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.037 0.446 . . . . 20.0 111.264 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -126.15 128.4 47.23 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.726 -0.67 . . . . 20.0 110.044 173.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -101.43 109.49 21.33 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.909 0.385 . . . . 20.0 110.643 -177.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -88.07 151.84 49.85 Favored Pre-proline 0 CA--C 1.553 1.06 0 CA-C-N 116.02 -0.536 . . . . 20.0 110.812 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -61.3 162.28 20.71 Favored 'Trans proline' 0 CA--C 1.547 1.143 0 C-N-CA 122.579 2.186 . . . . 20.0 112.38 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 35.5 t -92.63 127.74 38.23 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.206 -0.452 . . . . 20.0 110.332 173.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -121.25 -18.27 7.43 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 116.591 -0.277 . . . . 20.0 111.575 -175.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 20.7 p -70.45 -19.99 62.92 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 116.667 -0.242 . . . . 20.0 111.587 -177.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.1 pp -142.12 162.5 35.32 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 120.749 0.309 . . . . 20.0 110.811 176.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -82.68 119.49 24.36 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 121.021 0.438 . . . . 20.0 111.523 -170.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 22.3 pt -143.35 168.61 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 CA-C-N 115.743 -0.662 . . . . 20.0 110.222 173.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -69.93 137.25 51.39 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 109.98 -0.378 . . . . 20.0 109.98 170.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -110.63 93.43 4.48 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.593 -172.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -57.95 146.55 31.97 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.957 -0.565 . . . . 20.0 110.857 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.71 -14.88 63.07 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 116.276 -0.42 . . . . 20.0 111.935 -175.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -80.06 -22.36 42.39 Favored 'General case' 0 CA--C 1.552 1.057 0 O-C-N 122.492 -0.13 . . . . 20.0 111.053 177.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.832 0.349 . . . . 20.0 110.324 169.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 37.3 p30 . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 120.685 0.279 . . . . 20.0 111.36 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 483' ' ' HIS . . . . . 0.537 ' HB3' HD21 ' A' ' 509' ' ' LEU . 55.2 p-80 -161.31 177.24 10.35 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.981 0.419 . . . . 20.0 111.284 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -135.65 157.24 47.37 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.585 -0.734 . . . . 20.0 109.64 169.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -102.3 134.49 45.5 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.992 0.425 . . . . 20.0 110.965 -174.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 13.2 tp -135.37 118.0 15.97 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.838 -0.619 . . . . 20.0 110.238 -177.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 23.9 mt -87.63 123.46 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-O 120.941 0.4 . . . . 20.0 110.583 -178.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 38.2 t -137.8 129.08 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.787 -0.642 . . . . 20.0 110.116 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.45 37.22 22.18 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-O 120.874 0.368 . . . . 20.0 111.177 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.33 2.42 87.5 Favored Glycine 0 CA--C 1.55 2.248 0 C-N-CA 121.518 -0.372 . . . . 20.0 112.908 177.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -111.61 137.38 49.55 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.476 0.31 . . . . 20.0 110.656 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 89.7 t -80.21 119.15 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 116.56 -0.291 . . . . 20.0 110.284 174.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -101.42 150.97 22.49 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.204 -0.453 . . . . 20.0 110.305 172.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -116.38 122.34 44.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 20.0 109.985 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.8 mt -116.3 126.79 73.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-O 120.833 0.349 . . . . 20.0 110.965 -171.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 8.5 t -63.21 136.12 57.53 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 116.204 -0.453 . . . . 20.0 110.614 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 21.1 pt -68.42 -40.31 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 CA-C-N 116.58 -0.282 . . . . 20.0 111.598 -176.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 47.4 t -60.93 -64.71 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 111.955 0.354 . . . . 20.0 111.955 -176.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 27.7 p -105.19 -4.32 21.9 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 112.487 0.551 . . . . 20.0 112.487 -169.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 59.7 35.54 22.3 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 122.619 0.367 . . . . 20.0 111.954 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -76.84 129.85 36.81 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 109.873 -0.418 . . . . 20.0 109.873 169.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 36.4 p -93.28 145.96 24.06 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.955 0.407 . . . . 20.0 111.233 -175.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -138.48 141.81 39.43 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.867 -0.606 . . . . 20.0 111.016 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 55.0 t -79.0 -19.69 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 116.04 -0.527 . . . . 20.0 110.825 175.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 86.2 m -125.64 164.32 20.84 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 120.972 0.415 . . . . 20.0 110.865 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 20.7 mt -86.95 -33.56 19.63 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.103 -0.499 . . . . 20.0 110.657 173.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 24.8 p -58.33 -43.55 88.27 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 116.676 -0.238 . . . . 20.0 111.236 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 5.7 p -66.22 -37.67 86.09 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 116.529 -0.305 . . . . 20.0 111.03 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 483' ' ' HIS . 3.3 tp -64.35 -47.37 79.57 Favored 'General case' 0 CA--C 1.552 1.058 0 CA-C-N 116.618 -0.265 . . . . 20.0 111.06 177.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 7.4 mmm-85 -59.79 -46.98 87.51 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 120.872 0.368 . . . . 20.0 110.312 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -53.39 -48.62 68.48 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.878 -0.601 . . . . 20.0 110.746 174.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -63.99 -42.82 97.08 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-N 116.282 -0.417 . . . . 20.0 111.279 -176.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.25 -24.52 64.95 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 111.545 0.202 . . . . 20.0 111.545 -175.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -20.11 62.87 Favored 'General case' 0 CA--C 1.561 1.369 0 CA-C-O 120.515 0.198 . . . . 20.0 111.151 176.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 33.5 mt -79.49 -20.01 12.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 CA-C-O 120.638 0.256 . . . . 20.0 110.905 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -94.46 -40.8 9.71 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.62 0.248 . . . . 20.0 110.932 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 87.3 p -83.11 -32.66 26.6 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.423 -0.353 . . . . 20.0 111.363 -176.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 52.1 m95 49.22 37.5 11.31 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 121.169 0.509 . . . . 20.0 110.685 -171.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.21 -30.94 71.5 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.77 -0.65 . . . . 20.0 111.194 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -128.43 131.31 48.43 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.389 -0.369 . . . . 20.0 110.463 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -95.01 142.84 27.03 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.172 -0.467 . . . . 20.0 110.531 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 522' ' ' TYR . . . . . 0.4 ' CE1' ' HB2' ' A' ' 534' ' ' ALA . 92.2 m-85 -123.07 79.73 51.43 Favored Pre-proline 0 CA--C 1.543 0.706 0 CA-C-N 116.22 -0.446 . . . . 20.0 110.265 172.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.94 142.2 17.29 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.808 2.339 . . . . 20.0 112.586 -177.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 41.0 t -77.51 145.35 37.04 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.905 -0.589 . . . . 20.0 110.37 173.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -85.08 -29.31 25.0 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 120.699 0.285 . . . . 20.0 111.114 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -83.2 -27.81 29.73 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 116.349 -0.387 . . . . 20.0 111.618 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.2 p -138.82 162.55 34.48 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 120.728 0.299 . . . . 20.0 110.633 175.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -80.36 28.85 0.3 Allowed 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 116.569 -0.287 . . . . 20.0 111.701 -173.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -87.58 146.71 25.64 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.42 0.288 . . . . 20.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 10.1 t -123.58 136.54 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 CA-C-N 116.178 -0.464 . . . . 20.0 110.725 173.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -109.37 150.1 40.66 Favored Pre-proline 0 CA--C 1.54 0.593 0 CA-C-N 115.938 -0.574 . . . . 20.0 110.506 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -82.26 -5.39 11.93 Favored 'Trans proline' 0 CA--C 1.549 1.249 0 C-N-CA 122.815 2.344 . . . . 20.0 112.506 176.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . 0.4 HD22 ' CZ ' ' A' ' 536' ' ' TYR . 6.9 mp -132.78 144.47 50.27 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.716 0.406 . . . . 20.0 110.425 -178.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . 0.4 ' HB2' ' CE1' ' A' ' 522' ' ' TYR . . . -68.76 -44.03 74.57 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 116.479 -0.328 . . . . 20.0 111.371 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -62.47 -39.22 92.75 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.713 -0.221 . . . . 20.0 110.803 -177.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 536' ' ' TYR . . . . . 0.4 ' CZ ' HD22 ' A' ' 533' ' ' LEU . 11.9 m-30 -62.65 -39.07 92.72 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.641 -0.254 . . . . 20.0 110.609 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . 0.478 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -56.65 -54.3 47.71 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.337 -0.392 . . . . 20.0 110.217 172.441 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . 0.478 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 48.1 m -58.54 -53.97 52.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.782 -0.644 . . . . 20.0 111.115 -173.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -63.06 -34.24 77.15 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.739 -0.209 . . . . 20.0 110.889 -176.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -67.23 -46.02 75.05 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-O 120.718 0.294 . . . . 20.0 110.986 174.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.83 -30.82 70.31 Favored 'General case' 0 CA--C 1.55 0.954 0 O-C-N 122.299 -0.25 . . . . 20.0 110.999 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 22.5 mt -62.27 -29.02 45.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-O 120.868 0.366 . . . . 20.0 110.558 171.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.66 -27.55 61.31 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 116.263 -0.426 . . . . 20.0 110.957 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -78.01 -41.65 35.14 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-O 120.525 0.202 . . . . 20.0 111.015 176.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 80.4 p -77.82 -18.99 55.73 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 116.798 -0.183 . . . . 20.0 111.351 -177.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 76.75 17.06 80.23 Favored Glycine 0 CA--C 1.542 1.726 0 C-N-CA 121.549 -0.358 . . . . 20.0 112.534 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.36 98.89 0.37 Allowed 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 120.959 0.409 . . . . 20.0 111.173 -174.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 75.6 mtt-85 -85.64 94.12 9.0 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 121.007 0.432 . . . . 20.0 110.3 176.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -90.88 -27.05 19.04 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 115.627 -0.715 . . . . 20.0 111.929 -169.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -91.74 89.81 7.26 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.882 0.372 . . . . 20.0 110.706 -173.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -80.66 128.8 34.03 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.263 -0.426 . . . . 20.0 110.853 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 24.6 t -86.43 107.64 18.14 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.442 -0.344 . . . . 20.0 110.421 174.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 26.6 mt -68.2 -17.13 64.24 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 116.727 -0.215 . . . . 20.0 111.563 -177.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.15 -50.15 17.21 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-O 120.479 0.181 . . . . 20.0 111.369 -175.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 26.3 p -118.89 -12.89 9.53 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 111.77 0.285 . . . . 20.0 111.77 -175.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 102.62 -13.36 56.61 Favored Glycine 0 CA--C 1.549 2.167 0 C-N-CA 121.642 -0.313 . . . . 20.0 113.08 174.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -72.26 130.22 40.28 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 117.134 0.467 . . . . 20.0 111.106 -173.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 53.3 m -101.77 143.02 32.21 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 120.805 0.336 . . . . 20.0 110.839 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -122.37 157.27 32.2 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.217 -0.447 . . . . 20.0 111.045 -176.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.2 tt -82.4 -23.22 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 116.196 -0.456 . . . . 20.0 111.765 -170.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 34.2 p30 -152.85 171.38 18.36 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 120.982 0.42 . . . . 20.0 111.15 -176.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -62.02 -41.57 98.22 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.891 -0.595 . . . . 20.0 111.219 -178.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.8 mp0 -56.97 -44.54 82.74 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.586 -0.279 . . . . 20.0 111.031 -173.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -69.42 -46.66 66.29 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.563 -0.29 . . . . 20.0 110.932 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 29.2 ttp -58.56 -52.01 67.47 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 120.667 0.27 . . . . 20.0 111.193 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 12.0 t -63.6 -42.68 98.22 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.6 -0.273 . . . . 20.0 110.775 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 28.6 t -58.92 -42.69 90.28 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.813 0.34 . . . . 20.0 110.794 175.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 43.6 t60 -66.49 -46.64 75.64 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 116.365 -0.38 . . . . 20.0 111.193 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 78.3 mt -63.43 -40.17 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-O 120.474 0.178 . . . . 20.0 110.664 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -67.56 -41.24 84.53 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.808 -0.178 . . . . 20.0 111.316 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 29.6 p -83.72 -32.02 25.73 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 111.752 0.278 . . . . 20.0 111.752 -173.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 76.0 t -99.07 -47.99 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 CA-C-O 120.511 0.196 . . . . 20.0 111.387 -173.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 . . . . . 0 CA--C 1.553 1.06 0 CA-C-N 116.562 -0.29 . . . . 20.0 111.52 -173.422 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 37.5 mt . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.555 0.217 . . . . 20.0 111.204 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -148.38 157.82 43.72 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.758 0.313 . . . . 20.0 110.795 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -136.87 129.13 29.78 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.2 -0.455 . . . . 20.0 110.452 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.1 tt -94.2 110.17 21.92 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.312 -0.404 . . . . 20.0 110.565 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -84.8 153.87 61.02 Favored Pre-proline 0 CA--C 1.551 1.009 0 CA-C-N 116.253 -0.431 . . . . 20.0 110.741 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -64.72 156.04 63.72 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 122.385 2.057 . . . . 20.0 112.366 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 49.0 t -89.77 128.49 36.14 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.15 -0.477 . . . . 20.0 110.481 174.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -125.17 -20.08 4.97 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 116.41 -0.359 . . . . 20.0 111.651 -175.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 30.1 p -67.95 -25.79 65.63 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 111.79 0.293 . . . . 20.0 111.79 -175.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.8 pp -139.78 162.38 35.27 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 120.863 0.363 . . . . 20.0 111.026 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -87.02 108.37 18.83 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 116.083 -0.508 . . . . 20.0 111.559 -170.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 33.9 pt -143.7 169.72 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-N 115.9 -0.591 . . . . 20.0 109.984 170.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -75.32 145.2 41.96 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.822 -0.436 . . . . 20.0 109.822 171.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -129.32 120.59 25.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.057 0.456 . . . . 20.0 110.85 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -59.05 145.83 40.64 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.631 -0.713 . . . . 20.0 110.648 177.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -68.06 -9.95 50.0 Favored 'General case' 0 CA--C 1.555 1.144 0 N-CA-C 111.956 0.354 . . . . 20.0 111.956 -171.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -77.56 -15.62 59.14 Favored 'General case' 0 CA--C 1.556 1.206 0 O-C-N 122.329 -0.232 . . . . 20.0 110.909 174.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.4 mm? . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 120.949 0.404 . . . . 20.0 110.104 169.482 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 . . . . . 0 CA--C 1.551 1.018 0 CA-C-O 120.692 0.282 . . . . 20.0 111.37 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 483' ' ' HIS . . . . . 0.49 ' HB3' HD21 ' A' ' 509' ' ' LEU . 50.7 p-80 -160.93 176.34 11.53 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 120.891 0.377 . . . . 20.0 111.165 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -136.51 158.15 45.1 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.82 -0.627 . . . . 20.0 110.09 169.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -99.04 136.44 39.0 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.881 0.372 . . . . 20.0 110.831 -177.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.3 tp -134.01 114.6 13.39 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.018 -0.537 . . . . 20.0 110.313 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 29.6 mt -85.76 123.52 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 120.912 0.387 . . . . 20.0 110.541 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 50.0 t -135.71 124.6 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 115.858 -0.61 . . . . 20.0 110.162 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 37.1 t0 50.71 40.48 24.28 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-O 121.076 0.465 . . . . 20.0 111.041 -178.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.15 -23.28 11.63 Favored Glycine 0 CA--C 1.549 2.192 0 CA-C-N 116.162 -0.472 . . . . 20.0 112.94 176.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -87.04 137.35 32.42 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 116.904 0.352 . . . . 20.0 111.04 -177.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 92.5 t -80.58 122.83 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 116.503 -0.317 . . . . 20.0 110.149 171.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -105.03 153.99 20.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.261 -0.427 . . . . 20.0 110.176 172.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -118.0 123.19 45.11 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.266 -0.424 . . . . 20.0 110.119 178.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.3 mt -115.5 129.17 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-O 120.832 0.349 . . . . 20.0 111.14 -170.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 7.4 t -65.82 136.03 55.64 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.168 -0.469 . . . . 20.0 110.611 177.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 29.3 pt -68.53 -39.82 81.13 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 CA-C-N 116.626 -0.261 . . . . 20.0 111.58 -176.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 43.3 t -61.1 -65.02 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 N-CA-C 112.125 0.417 . . . . 20.0 112.125 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 29.7 p -105.05 -5.87 20.49 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 112.614 0.598 . . . . 20.0 112.614 -169.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 60.45 37.7 19.69 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 111.964 0.357 . . . . 20.0 111.964 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -78.44 131.6 36.97 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 109.845 -0.428 . . . . 20.0 109.845 169.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 24.6 p -94.28 143.23 26.57 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 120.916 0.389 . . . . 20.0 111.142 -176.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -135.01 142.82 46.51 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.85 -0.614 . . . . 20.0 110.968 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 72.3 t -80.92 -19.32 11.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-N 116.0 -0.545 . . . . 20.0 110.718 175.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 75.3 m -133.56 134.15 42.99 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.834 0.35 . . . . 20.0 111.065 -178.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 17.2 mt -57.67 -34.88 69.86 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 116.328 -0.396 . . . . 20.0 111.149 177.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 27.8 p -56.97 -38.88 73.62 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-O 120.513 0.197 . . . . 20.0 111.076 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 13.6 m -66.63 -42.89 86.04 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.559 -0.291 . . . . 20.0 110.968 175.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.49 HD21 ' HB3' ' A' ' 483' ' ' HIS . 2.1 tp -61.64 -47.44 85.41 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 116.324 -0.398 . . . . 20.0 110.902 179.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 51.5 mmm-85 -64.39 -44.17 92.15 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 120.611 0.243 . . . . 20.0 110.617 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -52.51 -45.59 66.3 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 116.126 -0.488 . . . . 20.0 110.674 171.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -70.63 -42.52 70.8 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-N 116.116 -0.493 . . . . 20.0 111.347 -176.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -59.56 -25.28 64.43 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 111.574 0.213 . . . . 20.0 111.574 -174.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -23.35 60.08 Favored 'General case' 0 CA--C 1.565 1.556 0 CA-C-N 116.782 -0.19 . . . . 20.0 111.129 175.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 34.5 mt -76.24 -23.37 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 122.555 0.342 . . . . 20.0 111.061 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -93.12 -43.9 8.63 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 120.735 0.303 . . . . 20.0 111.026 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 82.3 p -78.83 -31.99 46.03 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.311 -0.404 . . . . 20.0 111.401 -174.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 55.3 m95 50.06 34.17 7.91 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 121.301 0.572 . . . . 20.0 110.588 -169.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -59.86 -34.55 73.28 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.698 -0.683 . . . . 20.0 110.917 176.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -136.5 122.85 20.64 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.002 -0.545 . . . . 20.0 110.354 -175.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -94.7 144.02 25.96 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.311 -0.404 . . . . 20.0 110.583 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -122.51 79.85 46.77 Favored Pre-proline 0 CA--C 1.548 0.898 0 CA-C-N 116.026 -0.534 . . . . 20.0 110.116 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.07 146.22 22.68 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.735 2.29 . . . . 20.0 112.879 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 41.1 t -78.63 142.41 37.24 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 115.746 -0.661 . . . . 20.0 110.617 175.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -80.97 -31.12 34.97 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 120.617 0.246 . . . . 20.0 111.159 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -84.27 -25.82 29.08 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-N 116.43 -0.35 . . . . 20.0 111.826 -173.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 13.7 p -144.22 175.13 10.3 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 120.708 0.289 . . . . 20.0 111.016 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -82.25 6.13 17.75 Favored 'General case' 0 CA--C 1.564 1.482 0 N-CA-C 112.16 0.43 . . . . 20.0 112.16 -170.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -65.2 141.65 58.58 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.741 0.305 . . . . 20.0 111.258 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 19.2 t -123.59 129.37 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 115.84 -0.618 . . . . 20.0 109.86 169.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -104.87 149.43 37.53 Favored Pre-proline 0 CA--C 1.541 0.633 0 CA-C-N 116.271 -0.422 . . . . 20.0 110.485 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -81.95 -7.0 12.3 Favored 'Trans proline' 0 CA--C 1.554 1.5 0 C-N-CA 122.897 2.398 . . . . 20.0 112.737 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 9.4 mp -131.6 146.92 52.45 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.628 0.371 . . . . 20.0 110.176 177.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -65.41 -46.56 79.49 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.722 0.296 . . . . 20.0 111.15 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -63.04 -37.7 88.24 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.452 -0.34 . . . . 20.0 111.188 -177.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -60.64 -40.42 91.93 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 120.581 0.229 . . . . 20.0 110.551 177.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -62.65 -49.06 76.66 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.511 -0.313 . . . . 20.0 110.412 174.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 31.1 m -52.5 -56.34 15.81 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.501 -0.318 . . . . 20.0 111.155 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -67.45 -29.94 69.53 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.693 -0.23 . . . . 20.0 110.913 -173.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -67.39 -43.85 80.35 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-O 120.649 0.262 . . . . 20.0 110.791 171.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -68.34 -29.82 68.64 Favored 'General case' 0 CA--C 1.552 1.045 0 O-C-N 122.303 -0.248 . . . . 20.0 111.127 -179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 21.1 mt -63.41 -27.96 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 CA-C-O 120.824 0.345 . . . . 20.0 110.727 170.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -72.54 -26.41 61.74 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 116.308 -0.405 . . . . 20.0 110.853 175.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -79.67 -45.97 18.03 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 116.616 -0.266 . . . . 20.0 111.109 175.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 58.2 p -68.92 -32.6 72.34 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 120.612 0.244 . . . . 20.0 110.799 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 85.7 13.99 68.76 Favored Glycine 0 CA--C 1.537 1.463 0 CA-C-N 116.352 -0.385 . . . . 20.0 112.414 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -63.41 119.44 9.73 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 120.756 0.312 . . . . 20.0 111.181 -176.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.56 147.94 33.56 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 116.238 -0.437 . . . . 20.0 110.206 171.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -136.18 -38.05 0.7 Allowed 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 116.449 -0.341 . . . . 20.0 111.772 -177.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -98.51 115.09 27.81 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 120.634 0.254 . . . . 20.0 110.786 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -105.82 127.93 53.42 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 120.822 0.344 . . . . 20.0 110.639 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 43.4 t -66.21 143.89 56.96 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.213 -0.448 . . . . 20.0 109.96 171.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 86.5 mt -100.4 -15.95 17.77 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 120.493 0.187 . . . . 20.0 111.275 -178.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.01 -49.43 19.86 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-O 120.541 0.21 . . . . 20.0 111.184 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 31.9 p -120.02 -2.11 10.29 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 112.072 0.397 . . . . 20.0 112.072 -174.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 79.99 0.41 85.43 Favored Glycine 0 CA--C 1.556 2.618 0 C-N-CA 120.948 -0.644 . . . . 20.0 113.4 172.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -71.91 139.52 48.79 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 117.3 0.55 . . . . 20.0 111.026 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 57.7 m -106.45 149.15 27.34 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-N 116.245 -0.434 . . . . 20.0 111.299 -176.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -133.58 159.0 41.76 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 116.035 -0.529 . . . . 20.0 111.122 -175.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 3.9 tt -84.92 -26.07 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 CA-C-N 116.085 -0.507 . . . . 20.0 111.573 -173.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -151.98 168.99 23.44 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-O 120.978 0.418 . . . . 20.0 111.018 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -69.96 -36.75 75.5 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.042 -0.527 . . . . 20.0 111.045 -172.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -59.27 -43.53 92.48 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 116.425 -0.352 . . . . 20.0 110.959 -175.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -70.85 -44.84 65.61 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 116.585 -0.28 . . . . 20.0 111.147 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -40.95 91.5 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-O 120.593 0.235 . . . . 20.0 111.008 -176.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 26.0 t -60.74 -48.21 82.81 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 120.72 0.295 . . . . 20.0 110.597 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 21.4 t -59.74 -40.38 87.89 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.344 -0.389 . . . . 20.0 111.054 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -62.31 -50.34 72.05 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.437 -0.347 . . . . 20.0 111.202 -178.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 70.7 mt -64.4 -38.93 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-O 120.642 0.258 . . . . 20.0 110.675 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -67.45 -44.26 79.09 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.445 -0.343 . . . . 20.0 111.167 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 46.5 p -80.62 -33.51 35.73 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 111.823 0.305 . . . . 20.0 111.823 -174.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 73.5 t -93.21 -48.14 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-O 120.558 0.218 . . . . 20.0 111.45 -172.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 . . . . . 0 CA--C 1.547 0.852 0 CA-C-N 116.577 -0.283 . . . . 20.0 111.538 -172.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 12.5 mt . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 120.647 0.26 . . . . 20.0 111.406 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -148.0 163.27 37.38 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 120.855 0.36 . . . . 20.0 111.005 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -135.37 140.88 45.36 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.972 -0.558 . . . . 20.0 110.541 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -98.83 124.54 43.79 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.305 -0.407 . . . . 20.0 110.662 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -101.68 158.83 31.02 Favored Pre-proline 0 CA--C 1.555 1.152 0 CA-C-N 116.224 -0.443 . . . . 20.0 110.692 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.92 144.16 99.51 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 122.687 2.258 . . . . 20.0 112.685 -176.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 52.6 m -100.08 129.29 46.11 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.169 -0.469 . . . . 20.0 110.265 173.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -147.14 -1.06 0.67 Allowed 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.238 0.459 . . . . 20.0 112.238 -171.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 95.4 p -67.41 -20.43 65.53 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 120.58 0.229 . . . . 20.0 111.334 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.97 168.96 18.6 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.464 -0.335 . . . . 20.0 110.655 177.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -79.28 105.93 10.95 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.259 -0.428 . . . . 20.0 111.37 -172.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 27.9 pt -147.89 171.85 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 CA-C-N 115.831 -0.622 . . . . 20.0 110.041 170.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -80.94 147.47 30.27 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 110.163 -0.31 . . . . 20.0 110.163 172.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -125.88 118.78 26.19 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.898 0.38 . . . . 20.0 110.39 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -59.85 151.62 25.22 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.848 -0.614 . . . . 20.0 110.971 -177.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -64.1 -13.45 47.8 Favored 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 112.2 0.445 . . . . 20.0 112.2 -173.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -80.94 -13.61 58.74 Favored 'General case' 0 CA--C 1.557 1.236 0 O-C-N 122.432 -0.167 . . . . 20.0 111.129 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.812 0.339 . . . . 20.0 110.175 169.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 11.6 p30 . . . . . 0 CA--C 1.555 1.135 0 CA-C-O 120.759 0.314 . . . . 20.0 111.24 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 483' ' ' HIS . . . . . 0.461 ' HB3' HD21 ' A' ' 509' ' ' LEU . 56.5 p-80 -159.47 175.52 13.19 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.828 0.346 . . . . 20.0 111.01 177.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -138.02 156.84 47.41 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.97 -0.559 . . . . 20.0 110.446 171.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -96.83 140.86 30.77 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 120.863 0.363 . . . . 20.0 110.809 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.7 tp -139.02 113.24 8.76 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.059 -0.519 . . . . 20.0 110.324 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 30.5 mt -84.12 123.56 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-O 120.951 0.405 . . . . 20.0 110.55 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 44.9 t -137.16 129.05 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 115.772 -0.649 . . . . 20.0 110.114 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.41 36.12 19.2 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-O 120.904 0.383 . . . . 20.0 111.282 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.97 0.91 86.73 Favored Glycine 0 CA--C 1.55 2.23 0 CA-C-N 116.408 -0.36 . . . . 20.0 112.94 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 -108.36 136.04 48.65 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.485 0.314 . . . . 20.0 110.647 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 73.3 t -80.04 118.5 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-O 120.724 0.297 . . . . 20.0 110.315 174.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -100.2 155.77 17.57 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.23 -0.441 . . . . 20.0 110.236 171.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -120.48 125.66 48.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.209 -0.451 . . . . 20.0 110.029 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.3 mt -120.49 130.0 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.866 0.365 . . . . 20.0 111.176 -169.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 5.2 t -67.67 136.93 55.11 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 116.157 -0.474 . . . . 20.0 110.656 176.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 35.6 pt -67.62 -40.9 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 N-CA-C 111.712 0.264 . . . . 20.0 111.712 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.91 -64.46 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 112.002 0.371 . . . . 20.0 112.002 -175.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.2 p -105.15 -6.34 19.94 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 112.477 0.547 . . . . 20.0 112.477 -169.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 62.1 36.23 15.34 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 122.679 0.391 . . . . 20.0 111.871 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -73.51 126.35 30.04 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 109.969 -0.382 . . . . 20.0 109.969 169.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 34.6 p -95.52 143.6 26.7 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 120.872 0.368 . . . . 20.0 111.202 -177.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -136.7 143.77 43.56 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.921 -0.581 . . . . 20.0 111.162 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 72.3 t -79.33 -21.14 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-N 115.933 -0.576 . . . . 20.0 110.828 174.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 69.3 m -133.3 133.28 42.37 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 120.762 0.315 . . . . 20.0 110.994 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 24.0 mt -55.31 -32.61 62.6 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 116.384 -0.371 . . . . 20.0 110.935 175.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 29.3 p -56.43 -40.23 74.41 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.585 0.231 . . . . 20.0 111.163 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 19.6 m -67.82 -41.91 82.34 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.61 -0.268 . . . . 20.0 110.925 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 483' ' ' HIS . 5.9 tp -60.38 -45.93 91.77 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.339 -0.391 . . . . 20.0 110.819 178.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -59.98 -44.8 94.26 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 120.75 0.309 . . . . 20.0 110.629 178.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -59.01 -38.42 79.19 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.069 -0.514 . . . . 20.0 110.937 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -78.32 -47.39 17.87 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 116.336 -0.393 . . . . 20.0 111.613 -175.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -58.94 -21.83 58.8 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 111.638 0.236 . . . . 20.0 111.638 -170.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -24.27 60.83 Favored 'General case' 0 CA--C 1.562 1.442 0 CA-C-O 120.508 0.194 . . . . 20.0 111.227 175.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 41.8 mt -73.94 -21.28 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 122.436 0.294 . . . . 20.0 111.05 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -94.23 -43.0 8.65 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.606 0.241 . . . . 20.0 110.925 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 94.0 p -74.28 -37.15 63.79 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.446 -0.343 . . . . 20.0 111.381 -175.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 63.7 m95 50.65 30.57 4.99 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.269 0.557 . . . . 20.0 110.504 -169.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -69.84 -32.93 71.59 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.856 -0.611 . . . . 20.0 110.622 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -127.39 115.88 19.62 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.175 -0.466 . . . . 20.0 110.386 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -90.24 146.78 23.98 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 116.342 -0.39 . . . . 20.0 110.731 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -123.64 79.86 55.37 Favored Pre-proline 0 CA--C 1.548 0.896 0 CA-C-N 116.123 -0.49 . . . . 20.0 110.599 178.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.98 145.44 24.92 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.755 2.303 . . . . 20.0 112.721 -177.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 40.5 t -80.75 146.25 31.1 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 115.884 -0.598 . . . . 20.0 110.595 175.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -82.37 -30.56 30.21 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 116.642 -0.254 . . . . 20.0 111.387 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -85.7 -26.61 25.82 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 116.561 -0.291 . . . . 20.0 111.722 -173.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 20.1 p -138.48 162.27 34.93 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 120.781 0.324 . . . . 20.0 110.713 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -80.97 29.36 0.34 Allowed 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 120.768 0.318 . . . . 20.0 111.655 -174.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -87.94 149.62 23.95 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 116.526 -0.306 . . . . 20.0 110.838 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 14.1 t -126.18 135.83 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 116.266 -0.425 . . . . 20.0 110.783 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -110.26 154.23 42.98 Favored Pre-proline 0 CA--C 1.543 0.692 0 CA-C-N 115.974 -0.557 . . . . 20.0 110.726 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -85.55 -4.55 9.21 Favored 'Trans proline' 0 CA--C 1.556 1.591 0 C-N-CA 122.963 2.442 . . . . 20.0 112.974 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.3 mp -132.95 146.94 52.23 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.393 0.277 . . . . 20.0 110.462 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.98 -44.63 92.11 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 116.526 -0.306 . . . . 20.0 110.891 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -55.78 -39.37 71.16 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.549 -0.296 . . . . 20.0 110.903 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 9.5 m-30 -68.62 -38.89 80.9 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.531 -0.304 . . . . 20.0 111.231 -173.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -68.8 -39.79 79.92 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 120.838 -0.345 . . . . 20.0 110.576 173.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 55.2 m -61.85 -57.1 13.13 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.51 0.195 . . . . 20.0 110.824 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -63.88 -32.01 73.39 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.808 -0.178 . . . . 20.0 110.932 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -67.53 -44.92 77.19 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-O 120.689 0.28 . . . . 20.0 110.967 175.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.64 -27.21 64.86 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-O 120.566 0.222 . . . . 20.0 110.827 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 13.1 mt -66.46 -26.8 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-O 120.736 0.303 . . . . 20.0 110.518 169.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -78.99 -30.42 44.32 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 116.324 -0.398 . . . . 20.0 111.153 176.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -72.53 -39.17 67.76 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 120.805 0.336 . . . . 20.0 110.696 175.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 21.6 p -84.76 -13.81 50.09 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 116.083 -0.508 . . . . 20.0 111.309 -177.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 70.22 13.3 70.14 Favored Glycine 0 CA--C 1.541 1.699 0 C-N-CA 121.564 -0.351 . . . . 20.0 112.487 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -57.11 115.06 2.42 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 120.847 0.355 . . . . 20.0 111.062 -176.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -76.7 138.63 40.12 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.327 -0.397 . . . . 20.0 110.218 174.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 51.8 mmm-85 -123.76 -59.19 1.54 Allowed 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 116.191 -0.459 . . . . 20.0 111.198 -172.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -92.44 107.32 19.12 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.707 0.289 . . . . 20.0 110.706 -173.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -98.04 137.44 36.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.352 -0.385 . . . . 20.0 110.6 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 45.9 t -73.23 151.46 41.42 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 109.983 -0.377 . . . . 20.0 109.983 171.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 92.1 mt -110.73 -14.09 14.07 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 120.472 0.177 . . . . 20.0 111.289 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.22 -47.41 28.32 Favored 'General case' 0 CA--C 1.556 1.18 0 CA-C-N 116.673 -0.24 . . . . 20.0 111.112 175.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 31.5 p -120.07 -8.35 9.77 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 112.02 0.378 . . . . 20.0 112.02 -176.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 87.29 -3.93 86.4 Favored Glycine 0 CA--C 1.558 2.752 0 C-N-CA 121.006 -0.616 . . . . 20.0 113.684 172.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -67.79 137.32 55.3 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 117.401 0.6 . . . . 20.0 111.256 -175.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 16.7 m -101.59 135.37 43.23 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-N 116.274 -0.421 . . . . 20.0 111.276 -175.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -123.89 159.19 30.2 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 116.155 -0.475 . . . . 20.0 110.893 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 2.1 tt -80.53 -24.56 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-N 116.289 -0.414 . . . . 20.0 111.733 -172.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 42.5 p30 -154.63 170.48 21.41 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-O 120.955 0.407 . . . . 20.0 111.312 -173.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 562' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' A' ' 566' ' ' SER . 29.1 t80 -64.87 -38.05 89.69 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.027 -0.533 . . . . 20.0 111.146 -176.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.6 mp0 -58.46 -42.94 88.58 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.32 -0.4 . . . . 20.0 110.902 -174.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -69.02 -46.05 68.93 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.603 -0.271 . . . . 20.0 110.951 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -47.03 87.11 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-O 120.483 0.182 . . . . 20.0 111.121 -178.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . 0.409 ' HB2' ' CE1' ' A' ' 562' ' ' TYR . 8.9 t -64.8 -45.74 84.99 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.633 0.254 . . . . 20.0 110.776 -178.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 24.1 t -58.9 -41.64 87.69 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.812 0.339 . . . . 20.0 110.817 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 31.0 t60 -63.73 -48.97 74.89 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.37 -0.377 . . . . 20.0 111.145 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 66.9 mt -59.35 -45.7 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-O 120.659 0.266 . . . . 20.0 110.54 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -66.49 -40.25 89.17 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.433 -0.349 . . . . 20.0 111.229 -176.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 36.6 p -82.19 -32.55 29.85 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 111.715 0.265 . . . . 20.0 111.715 -174.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 74.0 t -96.92 -50.3 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 CA-C-O 120.435 0.16 . . . . 20.0 111.37 -173.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 CA--C 1.548 0.902 0 CA-C-N 116.592 -0.276 . . . . 20.0 111.501 -172.402 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 13.3 mt . . . . . 0 CA--C 1.552 1.055 0 CA-C-O 121.075 0.464 . . . . 20.0 110.316 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -142.7 155.74 44.94 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.181 -177.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -123.36 124.65 43.42 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.29 -0.414 . . . . 20.0 110.394 177.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.7 tt -94.39 107.26 19.23 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 116.313 -0.403 . . . . 20.0 110.445 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -79.92 154.89 75.49 Favored Pre-proline 0 CA--C 1.544 0.746 0 CA-C-N 116.21 -0.45 . . . . 20.0 110.866 -177.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -61.78 149.48 89.85 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 122.443 2.096 . . . . 20.0 112.334 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 47.9 t -89.53 126.13 35.48 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.272 -0.422 . . . . 20.0 110.054 171.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.49 -15.1 6.72 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 116.563 -0.289 . . . . 20.0 111.427 -176.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 46.6 m -66.61 -26.99 67.35 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 116.785 -0.189 . . . . 20.0 111.323 -177.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.5 pp -140.93 164.97 28.81 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 120.869 0.366 . . . . 20.0 111.003 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -83.9 118.89 24.28 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.141 -0.481 . . . . 20.0 111.502 -170.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 28.6 pt -141.78 169.64 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 CA-C-N 115.855 -0.611 . . . . 20.0 110.1 171.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -69.21 141.06 54.59 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 110.001 -0.37 . . . . 20.0 110.001 170.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -116.76 96.7 5.6 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.935 0.397 . . . . 20.0 110.691 -173.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -54.55 143.72 23.62 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.064 -0.516 . . . . 20.0 110.481 176.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.82 -10.74 51.09 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 112.279 0.474 . . . . 20.0 112.279 -171.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -85.04 -16.47 40.62 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.592 0.234 . . . . 20.0 111.019 174.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.544 0.712 0 CA-C-O 120.876 0.37 . . . . 20.0 110.194 169.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 45.9 p-10 . . . . . 0 CA--C 1.551 1.016 0 CA-C-O 120.685 0.279 . . . . 20.0 111.128 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 483' ' ' HIS . . . . . 0.409 ' HB3' HD21 ' A' ' 509' ' ' LEU . 56.5 p-80 -160.63 176.94 11.0 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.006 0.432 . . . . 20.0 111.379 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -136.36 159.34 42.07 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.518 -0.765 . . . . 20.0 109.802 169.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -100.56 119.75 39.0 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.85 0.357 . . . . 20.0 110.773 -176.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.5 tp -116.98 113.77 22.85 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.019 -0.537 . . . . 20.0 110.27 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 34.6 mt -87.63 123.49 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-O 120.921 0.391 . . . . 20.0 110.6 -178.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 38.8 t -138.64 129.45 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 115.878 -0.601 . . . . 20.0 110.24 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.41 37.17 21.91 Favored 'General case' 0 CA--C 1.566 1.563 0 CA-C-O 121.004 0.43 . . . . 20.0 111.213 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.38 2.99 88.44 Favored Glycine 0 CA--C 1.55 2.245 0 C-N-CA 121.458 -0.401 . . . . 20.0 112.881 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -112.06 137.21 50.41 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 116.873 0.337 . . . . 20.0 110.719 -178.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 95.4 t -81.62 121.5 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-O 120.661 0.267 . . . . 20.0 110.358 174.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -107.04 115.57 30.4 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.323 -0.399 . . . . 20.0 110.455 175.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -79.86 116.62 20.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 20.0 110.027 177.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 2.5 mt -110.23 124.78 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-N 116.393 -0.367 . . . . 20.0 110.753 -172.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.6 t -62.55 136.04 57.69 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.089 -0.505 . . . . 20.0 110.664 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 28.5 pt -68.69 -39.4 80.23 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 N-CA-C 111.726 0.269 . . . . 20.0 111.726 -176.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 47.9 t -61.23 -65.35 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 111.781 0.289 . . . . 20.0 111.781 -176.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 27.4 p -104.95 -2.95 23.92 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 112.475 0.546 . . . . 20.0 112.475 -169.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 59.49 35.75 22.86 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 111.919 0.341 . . . . 20.0 111.919 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 -79.02 130.39 35.48 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 110.079 -0.341 . . . . 20.0 110.079 169.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 20.3 p -92.32 144.04 25.79 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 116.42 -0.354 . . . . 20.0 111.145 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -135.82 140.04 43.92 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.007 -0.542 . . . . 20.0 110.898 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 86.8 t -78.4 -20.01 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 CA-C-N 115.946 -0.57 . . . . 20.0 110.944 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 68.1 m -133.59 136.02 44.62 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.52 -0.309 . . . . 20.0 111.053 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.12 -34.27 74.71 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 116.461 -0.336 . . . . 20.0 110.973 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 15.7 p -52.55 -40.7 62.83 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 120.575 0.226 . . . . 20.0 111.002 176.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 22.3 m -67.36 -40.87 85.82 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.562 -0.29 . . . . 20.0 111.085 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 483' ' ' HIS . 6.8 tp -61.69 -49.07 77.95 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 116.573 -0.285 . . . . 20.0 110.979 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -62.89 -44.01 97.26 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 120.551 0.215 . . . . 20.0 110.617 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -58.24 -41.25 83.76 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.38 -0.373 . . . . 20.0 110.96 174.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -71.26 -44.93 64.3 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-N 116.267 -0.424 . . . . 20.0 111.504 -177.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -60.51 -20.65 60.85 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 111.629 0.233 . . . . 20.0 111.629 -172.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -23.49 62.53 Favored 'General case' 0 CA--C 1.563 1.453 0 CA-C-O 120.566 0.222 . . . . 20.0 111.128 175.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 34.9 mt -77.24 -19.94 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.151 0 C-N-CA 122.457 0.303 . . . . 20.0 111.006 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -96.15 -41.34 8.76 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.679 0.276 . . . . 20.0 110.992 178.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 78.7 p -78.08 -34.96 49.95 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.49 -0.323 . . . . 20.0 111.441 -176.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 53.2 m95 50.6 34.26 9.39 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-O 121.318 0.58 . . . . 20.0 110.114 -169.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.13 -32.65 74.23 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.593 -0.731 . . . . 20.0 110.753 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -130.01 120.27 24.47 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.008 -0.542 . . . . 20.0 110.406 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -90.14 144.46 25.86 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.325 -0.398 . . . . 20.0 110.622 176.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -121.97 80.02 42.17 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 116.073 -0.512 . . . . 20.0 110.393 178.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.41 150.76 25.49 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.822 2.348 . . . . 20.0 112.728 -175.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 45.4 t -87.63 145.4 26.2 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.845 -0.616 . . . . 20.0 110.42 173.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -82.32 -33.03 29.14 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 120.605 0.24 . . . . 20.0 111.18 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -82.64 -24.07 33.96 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 116.416 -0.356 . . . . 20.0 111.671 -172.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.5 p -142.37 163.46 32.78 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 120.733 0.302 . . . . 20.0 110.73 175.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -81.06 30.29 0.33 Allowed 'General case' 0 CA--C 1.565 1.545 0 CA-C-O 120.829 0.347 . . . . 20.0 111.748 -174.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -88.77 147.37 24.48 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 116.467 -0.333 . . . . 20.0 110.864 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 14.5 t -128.66 139.18 52.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 CA-C-N 116.271 -0.422 . . . . 20.0 110.811 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -114.92 156.1 45.56 Favored Pre-proline 0 CA--C 1.547 0.835 0 CA-C-N 115.897 -0.592 . . . . 20.0 110.827 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -85.68 -1.21 8.9 Favored 'Trans proline' 0 CA--C 1.558 1.696 0 C-N-CA 123.039 2.493 . . . . 20.0 112.917 176.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 4.5 mp -136.31 148.91 48.18 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 120.744 0.307 . . . . 20.0 110.748 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.17 -42.56 88.76 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 116.312 -0.404 . . . . 20.0 111.026 175.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -54.47 -42.41 70.65 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.841 0.353 . . . . 20.0 110.702 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -68.19 -38.87 82.46 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.196 -0.456 . . . . 20.0 111.274 -172.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -69.51 -33.14 72.41 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 121.083 -0.247 . . . . 20.0 110.63 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 35.5 m -67.35 -57.65 6.23 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.459 0.171 . . . . 20.0 110.752 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -57.15 -36.12 70.36 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 120.713 0.292 . . . . 20.0 110.849 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -67.99 -46.4 71.43 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 116.562 -0.29 . . . . 20.0 111.135 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -67.75 -27.51 66.84 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 122.4 -0.188 . . . . 20.0 111.056 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 25.1 mt -65.14 -31.74 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-O 120.708 0.29 . . . . 20.0 110.4 170.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.87 -32.33 65.33 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 116.25 -0.432 . . . . 20.0 111.079 176.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -74.39 -41.57 60.75 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 120.743 0.306 . . . . 20.0 111.108 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 19.9 p -80.53 -18.76 47.48 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-N 116.426 -0.352 . . . . 20.0 111.425 -175.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 78.05 11.42 85.4 Favored Glycine 0 CA--C 1.542 1.772 0 C-N-CA 121.56 -0.352 . . . . 20.0 112.485 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -57.25 117.16 3.79 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 120.878 0.37 . . . . 20.0 110.959 -177.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -80.58 140.16 35.91 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.358 -0.383 . . . . 20.0 110.514 176.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 66.4 mtp85 -114.68 -53.86 2.62 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 116.026 -0.534 . . . . 20.0 111.082 -176.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -102.93 120.43 40.62 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.275 -0.42 . . . . 20.0 110.751 -173.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -105.85 131.88 52.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.316 -0.402 . . . . 20.0 110.543 177.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 42.2 t -67.48 144.11 55.86 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.115 -0.493 . . . . 20.0 110.052 171.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 79.7 mt -101.2 -15.47 17.32 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 120.525 0.203 . . . . 20.0 111.35 -178.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.17 -49.11 20.51 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 116.715 -0.221 . . . . 20.0 111.134 177.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 28.3 p -120.12 -2.54 10.18 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 112.012 0.375 . . . . 20.0 112.012 -175.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 79.99 2.59 88.85 Favored Glycine 0 CA--C 1.556 2.596 0 C-N-CA 120.99 -0.624 . . . . 20.0 113.603 172.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -72.17 138.18 47.45 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 117.38 0.59 . . . . 20.0 110.975 -177.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 43.8 m -105.08 141.17 37.12 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 116.316 -0.402 . . . . 20.0 111.173 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -127.54 158.82 36.43 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 116.248 -0.433 . . . . 20.0 111.006 -175.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.4 tt -82.98 -25.7 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 116.252 -0.431 . . . . 20.0 111.686 -172.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 31.0 p30 -152.21 172.18 16.78 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 120.989 0.423 . . . . 20.0 111.26 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -68.51 -36.55 79.04 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.926 -0.579 . . . . 20.0 111.376 -175.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.4 mp0 -60.22 -45.15 94.2 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-O 120.709 0.29 . . . . 20.0 110.963 -176.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -68.4 -48.34 64.94 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.568 -0.287 . . . . 20.0 111.091 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -40.02 95.86 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 120.574 0.226 . . . . 20.0 110.775 -177.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 35.2 t -61.73 -49.59 75.8 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.719 0.295 . . . . 20.0 110.628 177.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 27.2 t -60.07 -39.81 87.34 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.32 -0.4 . . . . 20.0 110.945 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -63.4 -49.66 72.93 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 116.485 -0.325 . . . . 20.0 111.187 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 67.8 mt -65.95 -35.45 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 120.634 0.254 . . . . 20.0 110.674 -177.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -67.83 -46.94 70.4 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 116.489 -0.323 . . . . 20.0 111.123 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 30.5 p -78.01 -33.47 51.21 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 111.814 0.302 . . . . 20.0 111.814 -173.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 71.0 t -94.78 -48.58 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 111.486 0.18 . . . . 20.0 111.486 -172.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 . . . . . 0 CA--C 1.551 0.996 0 CA-C-N 116.627 -0.26 . . . . 20.0 111.537 -173.036 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 8.1 mt . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.591 0.234 . . . . 20.0 111.365 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -148.98 163.73 36.64 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 120.901 0.382 . . . . 20.0 111.102 -178.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -136.97 140.84 42.49 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.003 -0.544 . . . . 20.0 110.609 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.78 126.7 41.22 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 116.39 -0.368 . . . . 20.0 110.564 -179.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -106.97 150.23 39.55 Favored Pre-proline 0 N--CA 1.483 1.216 0 CA-C-N 116.454 -0.339 . . . . 20.0 110.822 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -66.11 156.86 62.61 Favored 'Trans proline' 0 CA--C 1.545 1.025 0 C-N-CA 122.599 2.199 . . . . 20.0 112.555 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 37.0 t -97.85 132.0 43.84 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.035 -0.53 . . . . 20.0 110.546 176.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -128.4 -12.23 5.04 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 116.338 -0.392 . . . . 20.0 111.61 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 36.3 m -68.77 -28.0 66.4 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 111.626 0.232 . . . . 20.0 111.626 -175.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.1 pp -139.86 164.2 30.61 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 120.897 0.379 . . . . 20.0 110.849 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.38 109.16 17.64 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 116.122 -0.49 . . . . 20.0 111.446 -171.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 25.0 pt -144.74 168.95 9.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 CA-C-N 115.78 -0.646 . . . . 20.0 109.906 169.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -76.39 141.01 41.59 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 110.064 -0.347 . . . . 20.0 110.064 174.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -123.7 115.16 20.96 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.01 0.433 . . . . 20.0 110.593 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -64.84 160.36 20.53 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.684 -0.689 . . . . 20.0 111.087 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -65.44 -12.47 52.78 Favored 'General case' 0 CA--C 1.561 1.387 0 CA-C-N 116.401 -0.363 . . . . 20.0 111.848 -177.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -84.31 -24.36 29.87 Favored 'General case' 0 CA--C 1.556 1.194 0 O-C-N 122.459 -0.15 . . . . 20.0 110.968 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.076 -0.342 . . . . 20.0 110.076 169.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 482' ' ' ASP . . . . . 0.432 ' CG ' HH12 ' A' ' 510' ' ' ARG . 10.3 p30 . . . . . 0 CA--C 1.553 1.071 0 CA-C-O 120.939 0.4 . . . . 20.0 110.505 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 483' ' ' HIS . . . . . 0.409 ' HB3' HD21 ' A' ' 509' ' ' LEU . 51.6 p-80 -161.31 176.07 11.59 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.879 -0.601 . . . . 20.0 110.077 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -134.88 155.49 50.59 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.37 -0.377 . . . . 20.0 110.246 169.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -108.82 122.86 48.06 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.008 0.432 . . . . 20.0 110.653 -174.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 14.6 tp -118.31 117.08 28.12 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.747 -0.66 . . . . 20.0 110.233 -178.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 27.9 mt -88.55 122.9 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.946 0.403 . . . . 20.0 110.589 -178.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 47.4 t -137.67 128.31 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 115.75 -0.659 . . . . 20.0 110.032 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.17 36.65 19.75 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-O 120.955 0.407 . . . . 20.0 111.217 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 80.26 -0.74 83.45 Favored Glycine 0 CA--C 1.55 2.246 0 CA-C-N 116.415 -0.357 . . . . 20.0 112.95 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -105.88 134.07 49.6 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.477 0.311 . . . . 20.0 110.757 -178.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 84.0 t -80.95 122.83 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 110.23 -0.285 . . . . 20.0 110.23 175.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -110.4 114.03 27.16 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.392 -0.367 . . . . 20.0 110.541 177.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -79.79 120.15 23.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.297 -0.41 . . . . 20.0 110.23 177.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.3 mt -113.75 130.94 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.353 -0.385 . . . . 20.0 110.908 -172.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 8.9 t -67.04 136.85 55.88 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.723 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 21.4 pt -68.41 -39.83 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 CA-C-N 116.665 -0.243 . . . . 20.0 111.639 -177.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 52.4 t -61.47 -64.46 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 111.813 0.301 . . . . 20.0 111.813 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 29.7 p -105.04 -4.76 21.58 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 112.726 0.639 . . . . 20.0 112.726 -169.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 58.66 38.48 25.08 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 122.563 0.345 . . . . 20.0 111.796 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -81.12 133.18 35.42 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 109.991 -0.374 . . . . 20.0 109.991 169.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 31.0 p -95.25 141.77 28.46 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 120.881 0.372 . . . . 20.0 111.293 -175.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -134.85 137.06 42.92 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.782 -0.645 . . . . 20.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 72.2 t -76.81 -16.82 14.76 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.853 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 56.7 m -133.9 136.35 44.24 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.447 -0.342 . . . . 20.0 111.047 -177.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 20.5 mt -58.7 -33.41 70.14 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.311 -0.404 . . . . 20.0 110.751 174.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 29.6 p -53.66 -45.89 70.4 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-O 120.639 0.257 . . . . 20.0 110.967 175.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 53.0 m -66.25 -41.83 89.42 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.54 -0.3 . . . . 20.0 110.799 178.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 483' ' ' HIS . 7.6 tp -60.49 -47.63 85.28 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.514 -0.312 . . . . 20.0 110.84 179.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 510' ' ' ARG . . . . . 0.432 HH12 ' CG ' ' A' ' 482' ' ' ASP . 0.0 OUTLIER -62.52 -48.51 79.22 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.381 0.272 . . . . 20.0 110.752 179.056 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -54.38 -38.73 66.49 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 116.21 -0.45 . . . . 20.0 110.933 175.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -75.03 -45.36 42.23 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 116.293 -0.412 . . . . 20.0 111.441 -178.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -61.28 -23.54 65.76 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 120.546 0.212 . . . . 20.0 111.459 -172.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.64 -25.46 62.75 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-N 116.654 -0.248 . . . . 20.0 111.069 174.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 30.8 mt -76.1 -19.02 15.3 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 C-N-CA 122.474 0.31 . . . . 20.0 111.074 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -95.95 -41.64 8.68 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.633 0.254 . . . . 20.0 110.945 177.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 87.7 p -74.93 -36.73 62.14 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.588 -0.278 . . . . 20.0 111.282 -177.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 71.2 m95 49.43 34.29 6.48 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 121.293 0.568 . . . . 20.0 110.38 -169.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -73.99 -30.66 62.59 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.833 -0.621 . . . . 20.0 110.752 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -128.83 117.03 20.37 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.187 -0.46 . . . . 20.0 110.443 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -96.29 151.29 19.66 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.224 -0.444 . . . . 20.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -127.82 80.83 71.41 Favored Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 116.016 -0.538 . . . . 20.0 110.592 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -69.65 145.81 58.94 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.756 2.304 . . . . 20.0 112.584 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 42.8 t -80.54 144.27 32.6 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 115.871 -0.604 . . . . 20.0 110.495 172.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -78.7 -35.15 45.38 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-O 120.642 0.258 . . . . 20.0 111.092 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -81.61 -26.01 35.24 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-N 116.272 -0.422 . . . . 20.0 111.762 -172.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 15.6 p -141.88 167.51 21.97 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.764 0.316 . . . . 20.0 110.968 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.29 11.8 2.71 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 111.995 0.368 . . . . 20.0 111.995 -173.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -71.82 146.52 47.94 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 120.781 0.324 . . . . 20.0 110.989 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 21.8 t -125.89 138.63 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 CA-C-N 116.048 -0.524 . . . . 20.0 110.627 175.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -111.03 148.17 38.09 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 116.014 -0.539 . . . . 20.0 110.813 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -82.44 -3.87 11.51 Favored 'Trans proline' 0 CA--C 1.557 1.649 0 C-N-CA 122.98 2.453 . . . . 20.0 112.522 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.3 mp -130.94 146.7 52.43 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.653 0.381 . . . . 20.0 110.289 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -70.57 -42.14 71.49 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 116.629 -0.259 . . . . 20.0 111.338 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.85 -37.71 88.4 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 121.249 -0.18 . . . . 20.0 110.801 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -59.89 -38.49 82.4 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.486 0.184 . . . . 20.0 110.841 176.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -57.48 -52.74 64.16 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.891 0.377 . . . . 20.0 110.21 173.217 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . 0.48 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 98.6 m -59.93 -53.9 52.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.822 -0.626 . . . . 20.0 111.301 -174.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -56.5 -40.59 75.24 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 120.704 0.288 . . . . 20.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -68.92 -44.38 73.22 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 116.509 -0.314 . . . . 20.0 111.227 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -67.08 -30.99 71.18 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.555 0.217 . . . . 20.0 110.897 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 51.6 mt -62.75 -43.87 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 110.254 -0.276 . . . . 20.0 110.254 170.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -62.74 -30.95 71.82 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 116.557 -0.292 . . . . 20.0 110.977 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -72.48 -28.55 62.98 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 120.675 0.274 . . . . 20.0 111.096 175.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 18.0 m -89.75 -36.61 15.08 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.4 -0.364 . . . . 20.0 111.202 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 92.45 11.74 59.2 Favored Glycine 0 CA--C 1.546 1.988 0 CA-C-N 116.441 -0.345 . . . . 20.0 112.607 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -60.13 115.58 3.58 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 120.918 0.39 . . . . 20.0 111.018 -177.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 37.0 mmt-85 -89.45 80.81 6.67 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 116.319 -0.401 . . . . 20.0 110.59 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -78.14 -32.24 50.25 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 116.119 -0.491 . . . . 20.0 111.766 -173.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -90.31 96.97 10.91 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.815 0.34 . . . . 20.0 110.622 -174.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -95.1 131.5 41.03 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.926 0.393 . . . . 20.0 111.019 -178.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 43.7 t -70.3 149.35 47.48 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.044 -0.525 . . . . 20.0 110.198 171.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 96.2 mt -106.54 -21.1 13.17 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.605 -0.27 . . . . 20.0 111.269 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -74.99 -50.01 17.99 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-N 116.642 -0.254 . . . . 20.0 111.155 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 28.5 p -117.56 -1.47 11.66 Favored 'General case' 0 CA--C 1.562 1.431 0 N-CA-C 111.878 0.325 . . . . 20.0 111.878 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 82.96 -8.76 62.1 Favored Glycine 0 CA--C 1.557 2.689 0 C-N-CA 121.113 -0.565 . . . . 20.0 113.574 171.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -65.07 140.44 58.83 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 117.399 0.6 . . . . 20.0 111.175 -175.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 25.3 m -104.19 141.4 36.32 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 120.911 0.386 . . . . 20.0 111.234 -176.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -129.72 162.1 29.15 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 116.017 -0.538 . . . . 20.0 110.816 -177.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 8.6 tt -86.42 -26.84 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 CA-C-N 116.268 -0.424 . . . . 20.0 112.11 -169.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 56.0 p30 -153.49 171.46 18.66 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-O 121.101 0.477 . . . . 20.0 111.426 -175.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -60.98 -40.57 93.95 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.876 -0.602 . . . . 20.0 111.101 -177.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.5 mp0 -59.31 -44.53 92.56 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 116.502 -0.317 . . . . 20.0 110.929 -175.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -71.29 -47.85 54.3 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.594 -0.275 . . . . 20.0 111.15 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.5 -39.64 92.09 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-O 120.463 0.173 . . . . 20.0 110.954 -177.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 48.5 t -63.82 -48.23 77.62 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 120.674 0.273 . . . . 20.0 110.594 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 40.7 t -57.95 -40.74 81.27 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.372 -0.376 . . . . 20.0 110.865 176.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -64.81 -49.49 70.43 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 116.477 -0.329 . . . . 20.0 111.116 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 84.8 mt -62.41 -39.32 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-O 120.613 0.244 . . . . 20.0 110.679 -178.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -69.23 -39.5 78.49 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.514 -0.312 . . . . 20.0 111.384 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 30.2 p -83.45 -33.0 25.74 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 111.67 0.248 . . . . 20.0 111.67 -175.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 72.3 t -97.05 -48.61 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 CA-C-O 120.433 0.158 . . . . 20.0 111.357 -173.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 . . . . . 0 CA--C 1.553 1.072 0 CA-C-N 116.687 -0.233 . . . . 20.0 111.527 -173.877 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 83.1 mt . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 112.494 0.553 . . . . 20.0 112.494 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -143.6 156.26 44.53 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.054 0.454 . . . . 20.0 111.428 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -144.56 133.67 22.81 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.712 -0.676 . . . . 20.0 110.19 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.5 tt -102.55 110.16 22.01 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 120.848 0.356 . . . . 20.0 110.546 -175.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -81.65 155.13 71.16 Favored Pre-proline 0 CA--C 1.555 1.137 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.815 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -56.5 148.05 65.48 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 122.596 2.198 . . . . 20.0 112.549 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 46.3 t -85.07 119.62 25.67 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.308 -0.406 . . . . 20.0 110.288 174.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -111.35 -20.02 12.41 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 116.562 -0.29 . . . . 20.0 111.505 -175.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 55.3 m -69.48 -26.62 64.65 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 111.811 0.301 . . . . 20.0 111.811 -173.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.7 pp -146.31 167.89 22.45 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-O 120.839 0.352 . . . . 20.0 111.026 -178.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.89 116.29 22.7 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.075 -0.511 . . . . 20.0 111.539 -170.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 19.9 pt -142.4 167.05 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 CA-C-N 115.871 -0.604 . . . . 20.0 110.366 171.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -74.17 137.56 43.22 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 110.086 -0.339 . . . . 20.0 110.086 170.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -109.61 96.1 6.05 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.191 -0.459 . . . . 20.0 110.754 -171.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -63.44 154.06 33.38 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.028 -0.533 . . . . 20.0 111.15 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.01 -14.04 60.95 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 116.139 -0.482 . . . . 20.0 111.989 -174.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -80.38 -25.23 39.24 Favored 'General case' 0 CA--C 1.552 1.028 0 O-C-N 122.402 -0.186 . . . . 20.0 111.167 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 109.852 -0.425 . . . . 20.0 109.852 169.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 29.1 p30 . . . . . 0 CA--C 1.555 1.139 0 CA-C-O 120.743 0.306 . . . . 20.0 111.183 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 483' ' ' HIS . . . . . 0.453 ' HB3' HD21 ' A' ' 509' ' ' LEU . 55.6 p-80 -161.15 178.55 9.18 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 116.432 -0.349 . . . . 20.0 110.635 177.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -138.5 157.73 45.61 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.966 -0.561 . . . . 20.0 110.299 170.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -101.13 136.19 41.39 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.329 -0.396 . . . . 20.0 110.699 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.7 tp -133.8 116.19 15.41 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.034 -0.53 . . . . 20.0 110.28 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 23.3 mt -85.74 123.43 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 120.944 0.402 . . . . 20.0 110.542 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.86 125.35 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 115.804 -0.635 . . . . 20.0 110.109 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 39.0 t0 50.66 39.37 21.47 Favored 'General case' 0 CA--C 1.565 1.538 0 CA-C-O 120.991 0.424 . . . . 20.0 111.03 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.43 -25.84 7.74 Favored Glycine 0 CA--C 1.546 2.029 0 CA-C-N 116.202 -0.454 . . . . 20.0 112.854 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 58.0 mtm-85 -82.62 134.37 35.17 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.759 0.279 . . . . 20.0 111.086 -177.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 63.2 t -80.07 117.95 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 110.094 -0.336 . . . . 20.0 110.094 170.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -100.37 156.45 17.24 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.158 -0.474 . . . . 20.0 110.226 173.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -121.18 124.62 45.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 20.0 110.099 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 5.6 mt -119.25 128.3 75.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-O 120.85 0.357 . . . . 20.0 110.988 -170.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 4.1 t -67.31 139.07 57.25 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.671 178.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 37.1 pt -69.13 -39.98 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 111.724 0.268 . . . . 20.0 111.724 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 45.6 t -60.89 -63.67 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 N-CA-C 111.798 0.296 . . . . 20.0 111.798 -175.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.4 p -105.09 -5.56 20.72 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 112.315 0.487 . . . . 20.0 112.315 -169.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 60.8 mttp 57.51 36.27 26.75 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 122.571 0.349 . . . . 20.0 111.758 -177.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -77.53 133.33 38.55 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 109.809 -0.441 . . . . 20.0 109.809 169.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 28.1 p -94.7 147.41 23.35 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.95 0.405 . . . . 20.0 111.24 -176.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -137.78 138.57 39.36 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.667 -0.697 . . . . 20.0 110.889 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 64.5 t -79.67 -16.94 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 116.046 -0.525 . . . . 20.0 110.927 177.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 75.7 m -135.36 138.4 43.31 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.447 -0.342 . . . . 20.0 110.982 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 17.2 mt -58.31 -35.3 71.66 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.421 -0.354 . . . . 20.0 110.646 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 36.6 p -51.29 -43.59 61.68 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 116.515 -0.311 . . . . 20.0 111.084 177.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 34.6 m -66.78 -40.54 88.21 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.427 -0.351 . . . . 20.0 110.954 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.453 HD21 ' HB3' ' A' ' 483' ' ' HIS . 7.8 tp -61.68 -48.16 82.07 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 116.497 -0.32 . . . . 20.0 110.93 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -47.17 82.41 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 120.683 0.278 . . . . 20.0 110.45 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -55.18 -38.93 68.97 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.058 -0.519 . . . . 20.0 110.966 174.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -74.96 -46.61 34.29 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-N 116.201 -0.454 . . . . 20.0 111.53 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -62.08 -23.28 66.41 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 122.41 -0.181 . . . . 20.0 111.42 -172.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -22.1 60.42 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-N 116.772 -0.194 . . . . 20.0 111.08 174.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 28.6 mt -78.09 -20.57 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 122.523 0.329 . . . . 20.0 111.085 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -96.61 -43.83 7.41 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.686 0.279 . . . . 20.0 111.007 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 81.6 p -79.53 -34.38 41.17 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.399 -0.364 . . . . 20.0 111.3 -176.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 58.6 m95 51.03 36.32 14.97 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 121.2 0.524 . . . . 20.0 110.8 -172.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -68.4 -29.78 68.54 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 115.826 -0.625 . . . . 20.0 111.22 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -127.57 131.68 49.95 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 116.39 -0.368 . . . . 20.0 110.444 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -98.15 143.28 28.84 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.194 -0.457 . . . . 20.0 110.701 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -124.09 79.88 58.43 Favored Pre-proline 0 CA--C 1.549 0.918 0 CA-C-N 116.067 -0.515 . . . . 20.0 110.135 172.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -79.33 154.11 24.55 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.849 2.366 . . . . 20.0 112.645 -174.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 46.9 t -92.64 143.15 26.6 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 115.814 -0.63 . . . . 20.0 110.684 177.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -76.81 -35.01 57.88 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 120.924 0.392 . . . . 20.0 110.749 176.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -80.77 -27.71 36.65 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 115.739 -0.664 . . . . 20.0 111.62 -170.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 18.8 p -141.78 162.47 35.41 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 120.692 0.282 . . . . 20.0 110.706 176.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -79.8 31.68 0.25 Allowed 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 120.736 0.303 . . . . 20.0 111.596 -174.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -92.83 152.98 19.13 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 120.766 0.317 . . . . 20.0 110.979 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 10.9 t -129.27 135.47 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 CA-C-N 115.956 -0.566 . . . . 20.0 110.611 173.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -105.65 153.6 39.8 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 116.116 -0.493 . . . . 20.0 110.745 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -85.41 -4.55 9.34 Favored 'Trans proline' 0 CA--C 1.552 1.392 0 C-N-CA 122.961 2.441 . . . . 20.0 112.623 175.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.7 mp -130.82 143.65 50.89 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.703 0.401 . . . . 20.0 110.155 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -70.82 -42.45 70.23 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 120.588 0.232 . . . . 20.0 111.189 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.3 -34.56 76.83 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.58 0.229 . . . . 20.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -63.95 -37.95 89.29 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.719 -0.219 . . . . 20.0 110.535 175.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -58.61 -51.31 70.47 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.952 0.406 . . . . 20.0 110.082 173.253 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . 0.467 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 54.1 m -61.54 -56.04 24.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.833 -0.621 . . . . 20.0 111.193 -174.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -59.71 -36.88 77.44 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 116.799 -0.182 . . . . 20.0 110.91 -178.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -65.69 -46.86 77.44 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 120.708 0.29 . . . . 20.0 111.019 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -67.41 -30.38 70.13 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-O 120.62 0.248 . . . . 20.0 111.021 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 33.3 mt -63.35 -43.39 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 110.023 -0.362 . . . . 20.0 110.023 169.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -64.49 -31.13 72.21 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 116.289 -0.414 . . . . 20.0 111.087 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -68.88 -22.15 64.2 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 116.63 -0.259 . . . . 20.0 111.135 175.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 22.8 m -99.34 -30.94 11.93 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 116.489 -0.323 . . . . 20.0 111.101 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 83.81 17.06 66.45 Favored Glycine 0 CA--C 1.541 1.685 0 C-N-CA 121.528 -0.367 . . . . 20.0 112.378 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -58.5 123.11 15.11 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.881 0.372 . . . . 20.0 110.806 -176.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 44.4 mmt-85 -88.73 116.6 27.11 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.258 -0.428 . . . . 20.0 110.232 174.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -113.24 -32.35 6.32 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 116.101 -0.5 . . . . 20.0 111.194 -173.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -93.53 90.02 6.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.994 0.426 . . . . 20.0 110.414 -176.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -87.42 130.98 34.46 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.811 -177.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 45.9 t -76.14 154.0 35.78 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 116.295 -0.411 . . . . 20.0 110.078 171.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 83.8 mt -115.02 -20.03 10.66 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.528 -0.306 . . . . 20.0 111.298 -176.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.21 -50.1 17.27 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-O 120.522 0.201 . . . . 20.0 111.074 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 29.4 p -120.1 -9.56 9.57 Favored 'General case' 0 CA--C 1.564 1.502 0 N-CA-C 111.845 0.313 . . . . 20.0 111.845 -177.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 96.57 -12.76 66.07 Favored Glycine 0 CA--C 1.557 2.675 0 C-N-CA 121.148 -0.549 . . . . 20.0 113.499 171.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -56.11 127.84 32.58 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-N 117.189 0.494 . . . . 20.0 111.326 -176.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 68.6 m -104.69 142.77 34.1 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 120.78 0.324 . . . . 20.0 111.291 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -130.25 163.25 27.16 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.057 0.456 . . . . 20.0 111.428 -174.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 2.6 tt -82.89 -24.1 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 CA-C-N 115.98 -0.555 . . . . 20.0 111.794 -172.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 55.7 p30 -153.9 173.0 16.51 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-O 121.128 0.489 . . . . 20.0 111.507 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -62.91 -40.29 97.14 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.741 -0.663 . . . . 20.0 111.206 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -57.32 -45.47 84.2 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.356 -0.384 . . . . 20.0 111.022 -174.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -69.97 -45.36 67.55 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.611 -0.268 . . . . 20.0 110.963 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . 0.456 ' SD ' HD12 ' A' ' 569' ' ' ILE . 12.5 tmm? -57.46 -50.97 71.3 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-O 120.577 0.227 . . . . 20.0 111.186 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 48.0 t -64.38 -43.99 92.74 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.674 -0.239 . . . . 20.0 110.777 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 34.1 t -57.72 -46.13 84.83 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.629 0.252 . . . . 20.0 110.806 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -61.34 -46.41 90.37 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.479 -0.328 . . . . 20.0 111.201 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . 0.456 HD12 ' SD ' ' A' ' 565' ' ' MET . 47.8 mt -62.64 -40.92 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-N 116.877 -0.147 . . . . 20.0 110.728 -178.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -66.14 -44.05 85.27 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 120.51 0.195 . . . . 20.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 68.5 m -75.63 -36.58 60.19 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.649 -0.251 . . . . 20.0 111.638 -174.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 77.6 t -96.92 -50.11 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 N-CA-C 111.487 0.18 . . . . 20.0 111.487 -171.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 . . . . . 0 CA--C 1.557 1.236 0 CA-C-N 116.607 -0.269 . . . . 20.0 111.604 -173.933 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 48.1 mt . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 120.474 0.178 . . . . 20.0 111.355 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -143.09 155.28 44.57 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.943 0.402 . . . . 20.0 111.001 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -134.73 129.21 34.34 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.964 -0.562 . . . . 20.0 110.153 178.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.5 tt -97.36 107.89 20.5 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.426 -0.352 . . . . 20.0 110.481 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -79.95 157.36 73.95 Favored Pre-proline 0 CA--C 1.552 1.02 0 CA-C-N 116.334 -0.394 . . . . 20.0 110.906 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -59.5 151.73 66.86 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.477 2.118 . . . . 20.0 112.045 177.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 47.3 t -75.95 117.05 17.27 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.68 0.276 . . . . 20.0 110.39 174.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -102.39 -28.94 11.93 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.036 -0.529 . . . . 20.0 111.336 -174.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 27.0 p -64.75 -28.12 69.36 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 111.782 0.29 . . . . 20.0 111.782 -173.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.4 pp -149.8 166.39 29.6 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 120.95 0.405 . . . . 20.0 111.256 -176.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.34 122.43 31.85 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.044 -0.525 . . . . 20.0 111.397 -172.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 29.0 pt -142.45 172.1 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-N 115.7 -0.682 . . . . 20.0 109.94 173.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -68.91 133.65 48.51 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.81 -0.441 . . . . 20.0 109.81 169.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -109.03 97.1 6.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.002 0.43 . . . . 20.0 110.38 -175.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -53.66 149.17 8.61 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.748 -0.66 . . . . 20.0 110.826 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -60.05 -19.38 52.57 Favored 'General case' 0 CA--C 1.557 1.222 0 N-CA-C 112.175 0.435 . . . . 20.0 112.175 -174.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -76.86 -20.4 56.34 Favored 'General case' 0 CA--C 1.555 1.153 0 O-C-N 122.326 -0.233 . . . . 20.0 111.031 176.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.547 0.841 0 CA-C-O 120.799 0.333 . . . . 20.0 110.514 169.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.678 0.275 . . . . 20.0 111.193 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 483' ' ' HIS . . . . . 0.461 ' HB3' HD21 ' A' ' 509' ' ' LEU . 57.0 p-80 -162.0 178.36 8.92 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.007 0.432 . . . . 20.0 111.415 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -137.99 159.12 42.87 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.419 -0.809 . . . . 20.0 109.704 169.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -98.44 136.31 38.76 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.843 0.354 . . . . 20.0 110.893 -175.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.9 tp -136.55 115.3 12.1 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.007 -0.542 . . . . 20.0 110.33 177.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 23.8 mt -86.22 124.47 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.886 0.374 . . . . 20.0 110.635 -178.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 49.2 t -136.17 125.17 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 115.829 -0.623 . . . . 20.0 110.126 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 36.1 t0 49.77 41.0 21.56 Favored 'General case' 0 CA--C 1.564 1.49 0 CA-C-O 121.067 0.461 . . . . 20.0 111.086 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.15 -22.63 14.15 Favored Glycine 0 CA--C 1.547 2.08 0 CA-C-N 116.216 -0.447 . . . . 20.0 113.004 176.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 57.2 mtt85 -88.23 136.36 33.02 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 116.905 0.352 . . . . 20.0 110.961 -176.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 92.0 t -80.8 117.22 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.131 171.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -96.87 150.0 21.23 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.285 172.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -114.3 117.96 32.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 20.0 110.052 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.8 mt -112.63 128.29 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-N 116.396 -0.366 . . . . 20.0 111.037 -170.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.5 t -64.36 135.15 55.88 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 116.235 -0.439 . . . . 20.0 110.787 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 12.8 pt -67.96 -40.81 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 N-CA-C 111.693 0.257 . . . . 20.0 111.693 -175.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.76 -63.54 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 N-CA-C 111.831 0.308 . . . . 20.0 111.831 -175.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 30.3 p -105.13 -2.74 23.89 Favored 'General case' 0 CA--C 1.563 1.45 0 CA-C-N 116.044 -0.525 . . . . 20.0 112.382 -169.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 58.04 40.65 25.18 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 122.616 0.367 . . . . 20.0 111.782 -177.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -82.41 130.86 35.2 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 116.366 -0.379 . . . . 20.0 110.182 169.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 37.1 p -95.42 152.23 18.58 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 120.941 0.4 . . . . 20.0 111.407 -176.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -142.68 144.52 32.77 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.742 -0.663 . . . . 20.0 111.13 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 92.5 t -79.27 -21.91 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 116.09 -0.504 . . . . 20.0 110.835 174.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 83.6 m -132.11 136.26 47.01 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.43 -0.35 . . . . 20.0 110.959 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 13.5 mt -56.25 -33.08 65.09 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-N 116.39 -0.368 . . . . 20.0 110.828 175.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 82.2 p -55.2 -40.71 71.08 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 116.491 -0.322 . . . . 20.0 110.926 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 6.2 m -70.53 -38.06 74.18 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.32 -0.4 . . . . 20.0 110.792 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 483' ' ' HIS . 1.2 tp -63.46 -47.25 82.58 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 116.416 -0.356 . . . . 20.0 110.842 177.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -47.0 84.88 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 120.679 0.276 . . . . 20.0 110.628 176.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -54.63 -46.92 73.99 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 116.13 -0.487 . . . . 20.0 110.907 175.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -70.91 -46.51 62.39 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.266 -0.425 . . . . 20.0 111.399 -176.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -61.95 -23.56 66.45 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.664 -0.244 . . . . 20.0 111.059 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -20.54 49.17 Favored 'General case' 0 CA--C 1.566 1.586 0 CA-C-N 116.596 -0.274 . . . . 20.0 111.215 174.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 25.6 mt -81.89 -18.75 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 122.493 0.317 . . . . 20.0 111.164 178.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -98.63 -46.46 5.7 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 120.748 0.309 . . . . 20.0 110.686 177.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 84.5 p -76.89 -34.64 57.74 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.201 -0.454 . . . . 20.0 111.365 -176.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 65.4 m95 53.03 37.58 25.08 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.365 0.603 . . . . 20.0 110.033 -169.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -60.29 -37.12 79.52 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.433 -0.803 . . . . 20.0 110.951 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -134.5 122.6 22.66 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 116.231 -0.441 . . . . 20.0 110.612 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -89.99 149.62 22.48 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.522 -0.308 . . . . 20.0 110.732 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -127.76 79.94 72.78 Favored Pre-proline 0 CA--C 1.551 1.019 0 CA-C-N 116.145 -0.479 . . . . 20.0 110.685 177.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -69.82 150.43 67.84 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.84 2.36 . . . . 20.0 112.607 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 44.0 t -90.91 144.45 25.67 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 115.958 -0.564 . . . . 20.0 110.487 174.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -77.93 -39.99 41.07 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 120.79 0.329 . . . . 20.0 110.978 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -80.27 -20.91 43.35 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-N 115.988 -0.551 . . . . 20.0 111.897 -169.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.5 p -145.06 163.92 32.78 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 120.787 0.327 . . . . 20.0 110.693 174.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -80.78 29.63 0.32 Allowed 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 120.751 0.31 . . . . 20.0 111.756 -174.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -88.17 149.25 23.99 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 116.536 -0.302 . . . . 20.0 110.953 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 27.0 t -125.77 133.88 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-N 116.233 -0.439 . . . . 20.0 110.49 172.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -103.31 151.26 38.55 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-N 116.186 -0.461 . . . . 20.0 110.692 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -84.86 -2.97 9.77 Favored 'Trans proline' 0 CA--C 1.554 1.516 0 C-N-CA 122.902 2.401 . . . . 20.0 112.345 173.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 7.0 mp -131.63 135.64 47.1 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.872 0.469 . . . . 20.0 110.126 177.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.6 -42.26 87.16 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 120.542 0.211 . . . . 20.0 111.2 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -62.28 -35.35 78.74 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 116.568 -0.287 . . . . 20.0 110.981 -179.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -66.39 -35.9 81.49 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.577 -0.283 . . . . 20.0 110.751 176.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -59.54 -50.42 73.95 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.541 -0.3 . . . . 20.0 110.264 172.455 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . 0.433 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 6.0 m -59.56 -53.57 56.55 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.324 -0.398 . . . . 20.0 110.724 -176.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -56.23 -40.05 73.5 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 116.593 -0.276 . . . . 20.0 110.979 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -67.15 -44.76 78.97 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-O 120.655 0.264 . . . . 20.0 111.198 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -69.39 -29.56 67.35 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-O 120.505 0.193 . . . . 20.0 111.085 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 36.7 mt -64.39 -30.83 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-O 120.715 0.293 . . . . 20.0 110.493 170.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 543' ' ' HIS . . . . . 0.42 ' HA ' HD11 ' A' ' 560' ' ' ILE . 1.9 t-80 -76.38 -28.57 56.79 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.343 -0.389 . . . . 20.0 111.126 177.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -74.3 -43.38 56.99 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 120.76 0.314 . . . . 20.0 110.781 174.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 23.6 p -83.13 -16.03 48.39 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 116.189 -0.459 . . . . 20.0 111.29 -176.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 72.59 17.01 77.73 Favored Glycine 0 CA--C 1.544 1.862 0 C-N-CA 121.543 -0.36 . . . . 20.0 112.749 175.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -58.84 124.29 19.33 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 120.906 0.384 . . . . 20.0 111.07 -175.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -100.2 80.08 2.23 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.203 -0.453 . . . . 20.0 110.689 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -76.77 -29.96 56.32 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-N 116.231 -0.441 . . . . 20.0 111.53 -174.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -94.02 100.01 12.21 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.825 0.345 . . . . 20.0 110.678 -172.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -101.37 132.65 46.84 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.328 -0.396 . . . . 20.0 111.122 -174.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 49.5 t -70.33 149.75 47.04 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.046 -0.525 . . . . 20.0 110.237 169.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 91.8 mt -105.92 -16.58 14.6 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 120.543 0.211 . . . . 20.0 111.35 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.1 -48.6 23.02 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 116.77 -0.195 . . . . 20.0 111.05 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 28.1 p -120.07 -2.84 10.16 Favored 'General case' 0 CA--C 1.561 1.403 0 N-CA-C 111.871 0.323 . . . . 20.0 111.871 -176.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 81.28 -3.43 77.44 Favored Glycine 0 CA--C 1.556 2.611 0 C-N-CA 121.019 -0.61 . . . . 20.0 113.594 172.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -68.89 141.71 54.97 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 117.424 0.612 . . . . 20.0 111.051 -176.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 17.0 m -109.28 138.64 45.33 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 116.3 -0.409 . . . . 20.0 111.14 -175.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -124.04 157.21 35.02 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 116.027 -0.533 . . . . 20.0 110.953 -175.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . 0.42 HD11 ' HA ' ' A' ' 543' ' ' HIS . 1.6 tt -73.87 -26.04 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 116.038 -0.528 . . . . 20.0 111.63 -171.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 38.6 p30 -156.21 169.78 23.75 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-O 121.132 0.492 . . . . 20.0 111.171 -176.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -60.8 -35.7 77.16 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.871 -0.604 . . . . 20.0 111.288 -177.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -65.49 -45.72 82.51 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.557 -0.292 . . . . 20.0 110.992 -174.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -64.88 -44.38 89.85 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.597 -0.274 . . . . 20.0 110.617 176.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 33.7 ttp -56.93 -48.38 78.44 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.493 -0.321 . . . . 20.0 110.923 178.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 39.8 t -62.34 -46.93 86.48 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.477 -0.329 . . . . 20.0 110.772 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 17.7 t -59.4 -41.12 88.67 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.483 -0.326 . . . . 20.0 110.824 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -63.83 -48.06 78.3 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.338 -0.392 . . . . 20.0 111.027 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.94 -38.18 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 120.646 0.26 . . . . 20.0 110.677 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -68.01 -45.51 73.83 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.432 -0.349 . . . . 20.0 111.032 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 25.0 p -76.59 -35.06 58.36 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 111.934 0.346 . . . . 20.0 111.934 -173.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 72.9 t -96.2 -47.18 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 N-CA-C 111.427 0.158 . . . . 20.0 111.427 -172.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 . . . . . 0 CA--C 1.551 0.987 0 CA-C-N 116.664 -0.244 . . . . 20.0 111.534 -173.107 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.642 0.258 . . . . 20.0 111.328 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -152.68 165.22 35.97 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.004 0.43 . . . . 20.0 111.451 -173.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -140.36 133.55 29.62 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.845 -0.616 . . . . 20.0 110.398 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -98.58 107.28 19.7 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 116.452 -0.34 . . . . 20.0 110.522 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -79.92 160.54 68.64 Favored Pre-proline 0 CA--C 1.553 1.079 0 CA-C-N 116.165 -0.471 . . . . 20.0 110.909 -178.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -60.04 149.31 85.22 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 122.626 2.217 . . . . 20.0 112.384 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 18.2 t -84.52 112.37 20.34 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.245 -0.434 . . . . 20.0 110.372 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 52.1 mmm-85 -105.51 -34.83 7.66 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 116.517 -0.31 . . . . 20.0 111.27 -172.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 32.3 m -67.87 -23.19 65.1 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 115.915 -0.584 . . . . 20.0 111.807 -170.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 3.4 mt -102.02 175.09 5.65 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.169 0.509 . . . . 20.0 111.478 -178.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -108.55 98.07 7.64 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.317 -0.856 . . . . 20.0 109.733 169.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 17.8 pt -140.67 171.74 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 116.261 -0.427 . . . . 20.0 110.607 -175.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -75.57 140.93 42.98 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 110.137 -0.32 . . . . 20.0 110.137 171.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -112.64 97.98 6.94 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.951 0.405 . . . . 20.0 110.881 -170.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -55.13 137.77 45.99 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.055 -0.52 . . . . 20.0 110.768 178.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -67.9 -15.59 63.69 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 112.045 0.387 . . . . 20.0 112.045 -171.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -76.53 -16.47 59.62 Favored 'General case' 0 CA--C 1.554 1.126 0 O-C-N 122.453 -0.154 . . . . 20.0 111.293 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.2 mm? . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 120.587 0.232 . . . . 20.0 110.592 171.193 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 CA--C 1.555 1.17 0 CA-C-O 120.676 0.274 . . . . 20.0 111.467 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -153.81 168.78 25.18 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.83 0.347 . . . . 20.0 110.914 177.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -133.55 156.48 47.72 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.95 -0.568 . . . . 20.0 110.067 169.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -109.21 126.67 53.54 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.015 0.436 . . . . 20.0 110.84 -174.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.4 tp -121.05 113.8 20.57 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.742 -0.663 . . . . 20.0 110.184 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 24.8 mt -85.04 122.7 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 120.88 0.371 . . . . 20.0 110.494 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 46.1 t -134.92 125.31 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 115.867 -0.606 . . . . 20.0 110.137 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 37.1 t0 50.07 39.01 18.2 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 121.012 0.434 . . . . 20.0 111.073 -178.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.27 -17.28 43.89 Favored Glycine 0 CA--C 1.55 2.254 0 CA-C-N 116.27 -0.423 . . . . 20.0 113.014 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -92.1 135.21 34.16 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 116.956 0.378 . . . . 20.0 111.124 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 70.4 t -80.04 122.47 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 116.377 -0.374 . . . . 20.0 110.153 172.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -109.23 114.75 28.71 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.44 -0.346 . . . . 20.0 110.567 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -79.83 124.18 28.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.331 -0.395 . . . . 20.0 110.17 177.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.0 mt -118.64 131.69 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-O 120.837 0.351 . . . . 20.0 110.87 -172.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 5.5 t -67.39 135.57 53.39 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.04 -0.527 . . . . 20.0 110.617 176.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 42.7 pt -68.31 -39.55 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 N-CA-C 111.549 0.203 . . . . 20.0 111.549 -176.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 44.9 t -60.91 -64.27 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 111.96 0.355 . . . . 20.0 111.96 -176.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 31.5 p -104.98 -6.29 20.2 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 112.459 0.54 . . . . 20.0 112.459 -169.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 60.51 38.44 19.03 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 122.643 0.377 . . . . 20.0 111.881 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -80.98 129.41 34.52 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 110.012 -0.366 . . . . 20.0 110.012 169.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 30.9 p -93.65 144.43 25.4 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 120.942 0.401 . . . . 20.0 111.372 -175.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -135.89 135.7 39.91 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.739 -0.664 . . . . 20.0 110.819 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 50.7 t -72.98 -18.35 18.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 116.062 -0.517 . . . . 20.0 110.966 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 86.4 m -127.92 164.92 21.23 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 120.931 0.396 . . . . 20.0 110.88 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 10.4 mt -82.13 -33.05 29.81 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.189 -0.46 . . . . 20.0 110.618 172.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 40.7 p -60.04 -40.09 88.19 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 116.624 -0.262 . . . . 20.0 111.232 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 2.6 p -70.47 -36.74 74.06 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.604 -0.271 . . . . 20.0 111.043 177.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 2.8 tp -64.67 -47.2 79.3 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 116.75 -0.204 . . . . 20.0 110.838 175.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -54.91 -49.99 69.89 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 120.745 0.307 . . . . 20.0 110.551 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -55.0 -47.47 74.62 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 115.924 -0.58 . . . . 20.0 110.842 175.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -66.58 -45.59 78.76 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.175 -0.466 . . . . 20.0 111.51 -174.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -61.14 -23.79 65.8 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 120.497 0.189 . . . . 20.0 111.353 -173.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -24.93 63.62 Favored 'General case' 0 CA--C 1.563 1.444 0 CA-C-N 116.808 -0.178 . . . . 20.0 111.089 175.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 32.3 mt -75.13 -21.29 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 122.443 0.297 . . . . 20.0 111.144 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -95.89 -42.0 8.52 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.686 0.279 . . . . 20.0 111.042 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 95.7 p -73.95 -37.34 64.58 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.509 -0.314 . . . . 20.0 111.289 -176.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 70.4 m95 50.27 30.84 4.69 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.181 0.515 . . . . 20.0 110.513 -169.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.06 -33.21 70.03 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.875 -0.602 . . . . 20.0 110.657 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -126.31 116.82 21.82 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.055 -0.521 . . . . 20.0 110.393 177.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -93.86 147.06 23.43 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.353 -0.385 . . . . 20.0 110.754 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -122.68 80.01 48.2 Favored Pre-proline 0 CA--C 1.547 0.843 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.271 176.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -76.02 136.28 18.21 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.787 2.325 . . . . 20.0 112.449 -177.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.83 142.16 57.43 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.881 -0.599 . . . . 20.0 110.664 176.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -76.94 -33.16 57.71 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 116.686 -0.234 . . . . 20.0 111.172 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -87.98 -19.93 26.55 Favored 'General case' 0 CA--C 1.56 1.36 0 N-CA-C 112.073 0.397 . . . . 20.0 112.073 -172.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.1 p -144.75 170.25 16.47 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-O 120.833 0.349 . . . . 20.0 110.905 177.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -80.46 3.38 21.64 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 111.941 0.348 . . . . 20.0 111.941 -173.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -68.17 142.35 55.74 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 120.772 0.32 . . . . 20.0 111.013 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 15.9 t -120.82 134.65 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-N 116.137 -0.483 . . . . 20.0 110.679 175.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -106.02 150.28 39.1 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.02 -0.536 . . . . 20.0 110.609 177.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -84.15 -5.43 10.36 Favored 'Trans proline' 0 CA--C 1.55 1.313 0 C-N-CA 122.848 2.365 . . . . 20.0 112.57 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 9.5 mp -130.95 143.75 50.96 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.77 0.428 . . . . 20.0 110.092 177.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.07 -46.31 78.17 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 120.672 0.272 . . . . 20.0 111.054 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.03 -36.44 79.56 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 116.615 -0.266 . . . . 20.0 111.128 -177.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -64.38 -39.06 93.13 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.431 0.158 . . . . 20.0 110.718 177.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -49.54 71.96 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.609 -0.268 . . . . 20.0 110.327 173.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 36.3 m -52.83 -56.15 17.87 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.494 -0.321 . . . . 20.0 110.845 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -61.73 -33.3 73.81 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.745 -0.207 . . . . 20.0 111.044 -177.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -70.56 -40.4 73.37 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 120.635 0.255 . . . . 20.0 110.851 177.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -67.19 -32.47 73.57 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 122.335 -0.228 . . . . 20.0 110.671 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 38.8 mt -65.45 -25.05 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 CA-C-O 120.725 0.298 . . . . 20.0 110.69 171.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -74.97 -26.26 59.46 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.376 -0.375 . . . . 20.0 110.976 173.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -79.15 -42.28 26.56 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 120.536 0.207 . . . . 20.0 110.98 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 67.9 p -72.09 -35.34 69.18 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 120.599 0.237 . . . . 20.0 110.792 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 88.33 11.32 66.96 Favored Glycine 0 CA--C 1.54 1.616 0 CA-C-N 116.398 -0.365 . . . . 20.0 112.442 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -65.37 132.69 49.64 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 120.853 0.359 . . . . 20.0 110.976 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -87.13 143.21 27.4 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.894 0.378 . . . . 20.0 110.675 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.25 -53.98 2.57 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 116.042 -0.526 . . . . 20.0 110.898 -177.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -105.06 124.3 49.29 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.179 -0.464 . . . . 20.0 110.97 -175.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -102.08 131.04 48.78 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.334 -0.394 . . . . 20.0 110.462 174.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 43.7 t -68.92 144.41 54.19 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.292 -0.413 . . . . 20.0 110.047 172.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 86.5 mt -102.67 -16.31 16.07 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 120.525 0.203 . . . . 20.0 111.364 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.23 -49.14 20.31 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-N 116.695 -0.23 . . . . 20.0 111.15 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 31.0 p -120.07 -5.24 10.02 Favored 'General case' 0 CA--C 1.563 1.45 0 N-CA-C 111.968 0.358 . . . . 20.0 111.968 -175.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 84.8 -2.87 87.87 Favored Glycine 0 CA--C 1.557 2.703 0 C-N-CA 121.099 -0.572 . . . . 20.0 113.557 173.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -72.4 137.4 46.49 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 117.296 0.548 . . . . 20.0 111.026 -177.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 50.4 m -109.71 147.33 33.34 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 120.893 0.378 . . . . 20.0 111.328 -175.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -129.7 161.16 31.27 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 116.115 -0.493 . . . . 20.0 111.133 -174.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -82.81 -24.6 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 116.32 -0.4 . . . . 20.0 111.869 -170.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -153.47 173.35 15.8 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 121.136 0.493 . . . . 20.0 111.403 -176.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -66.42 -35.64 80.82 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.754 -0.657 . . . . 20.0 111.172 -174.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -62.18 -43.83 97.96 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 116.409 -0.36 . . . . 20.0 110.786 -177.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -67.93 -49.44 61.84 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.535 -0.302 . . . . 20.0 111.176 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -40.62 97.84 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.539 0.209 . . . . 20.0 110.75 -176.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 39.7 t -64.22 -47.77 78.4 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.595 -0.275 . . . . 20.0 110.789 177.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 24.4 t -59.83 -40.74 89.51 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.469 -0.332 . . . . 20.0 111.048 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -64.97 -48.11 75.21 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 116.468 -0.333 . . . . 20.0 111.278 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.52 -36.24 77.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-O 120.611 0.244 . . . . 20.0 110.619 -177.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -67.3 -47.28 71.07 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.56 -0.291 . . . . 20.0 110.981 176.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 39.1 m -72.52 -37.61 68.3 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 111.798 0.295 . . . . 20.0 111.798 -174.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 71.4 t -97.99 -47.17 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 N-CA-C 111.513 0.19 . . . . 20.0 111.513 -170.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 . . . . . 0 CA--C 1.553 1.084 0 CA-C-N 116.693 -0.23 . . . . 20.0 111.469 -173.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.874 0.369 . . . . 20.0 110.901 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -145.88 161.23 40.49 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 120.918 0.389 . . . . 20.0 110.858 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -136.27 138.71 42.05 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.947 -0.57 . . . . 20.0 110.499 177.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 tt -94.51 128.19 40.93 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 116.356 -0.384 . . . . 20.0 110.719 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -107.1 151.68 40.81 Favored Pre-proline 0 N--CA 1.487 1.378 0 CA-C-N 116.537 -0.301 . . . . 20.0 110.874 178.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -66.18 152.15 81.87 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 122.701 2.268 . . . . 20.0 112.705 -176.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 50.6 t -95.46 129.8 42.5 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.119 -0.491 . . . . 20.0 110.673 178.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.52 -12.5 2.69 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 116.206 -0.452 . . . . 20.0 111.913 -174.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 47.0 p -69.63 -26.09 64.25 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 111.478 0.177 . . . . 20.0 111.478 -176.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.0 pp -142.9 164.42 30.13 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 120.885 0.374 . . . . 20.0 110.753 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -83.63 109.89 17.81 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 116.158 -0.474 . . . . 20.0 111.528 -170.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 19.4 pt -145.65 167.3 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 CA-C-N 115.721 -0.672 . . . . 20.0 109.869 170.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -72.52 140.34 48.11 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 110.082 -0.34 . . . . 20.0 110.082 175.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -125.36 115.76 20.83 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.089 0.471 . . . . 20.0 110.727 -177.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -69.89 161.87 29.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.65 -0.705 . . . . 20.0 111.254 -176.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -67.4 -10.1 48.04 Favored 'General case' 0 CA--C 1.561 1.388 0 CA-C-N 116.203 -0.453 . . . . 20.0 111.886 -177.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -86.18 -24.06 26.28 Favored 'General case' 0 CA--C 1.556 1.183 0 O-C-N 122.41 -0.181 . . . . 20.0 110.861 174.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.877 0.37 . . . . 20.0 110.143 169.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 22.4 p30 . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 111.559 0.207 . . . . 20.0 111.559 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 483' ' ' HIS . . . . . 0.536 ' HB3' HD21 ' A' ' 509' ' ' LEU . 53.4 p-80 -161.21 176.04 11.69 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.078 0.466 . . . . 20.0 111.659 -179.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -136.65 158.49 44.31 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.368 -0.833 . . . . 20.0 109.564 169.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 54.2 mp0 -101.81 134.1 45.52 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.922 0.391 . . . . 20.0 110.91 -175.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 14.4 tp -134.31 117.83 16.84 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.889 -0.596 . . . . 20.0 110.331 -178.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 32.7 mt -88.12 122.74 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-O 120.87 0.367 . . . . 20.0 110.468 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 40.3 t -136.96 128.94 43.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 115.83 -0.623 . . . . 20.0 110.111 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 53.12 35.95 21.08 Favored 'General case' 0 CA--C 1.565 1.528 0 CA-C-O 120.969 0.414 . . . . 20.0 111.171 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.76 2.11 87.87 Favored Glycine 0 CA--C 1.549 2.163 0 CA-C-N 116.391 -0.368 . . . . 20.0 112.929 177.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -110.3 136.71 49.07 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.485 0.314 . . . . 20.0 110.71 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 97.0 t -80.03 120.88 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-O 120.742 0.306 . . . . 20.0 110.219 174.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -103.74 150.33 24.16 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.281 173.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -114.95 118.69 34.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.172 -0.467 . . . . 20.0 109.991 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.4 mt -112.78 126.63 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-O 120.795 0.331 . . . . 20.0 110.962 -170.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.1 t -64.22 135.13 55.99 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.172 -0.467 . . . . 20.0 110.589 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 29.0 pt -69.86 -37.42 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-N 116.551 -0.295 . . . . 20.0 111.71 -175.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.83 -64.75 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 CA-C-O 120.708 0.289 . . . . 20.0 111.751 -176.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 27.7 p -105.16 -3.1 23.4 Favored 'General case' 0 CA--C 1.559 1.303 0 CA-C-N 116.012 -0.54 . . . . 20.0 112.339 -169.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt 57.84 41.16 25.25 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 122.602 0.361 . . . . 20.0 111.689 -175.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -81.48 131.09 35.27 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 116.215 -0.448 . . . . 20.0 110.194 169.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 28.4 p -93.22 145.23 24.58 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 120.951 0.405 . . . . 20.0 111.238 -177.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -137.86 143.03 40.73 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.793 -0.639 . . . . 20.0 110.956 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 85.5 t -84.71 -15.07 11.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 CA-C-N 115.892 -0.595 . . . . 20.0 110.939 177.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 96.5 m -136.35 134.25 37.67 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.798 0.332 . . . . 20.0 110.915 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.5 -41.27 93.95 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.238 -0.437 . . . . 20.0 111.257 -178.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 15.7 p -58.81 -33.83 70.81 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 120.602 0.239 . . . . 20.0 110.986 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 3.8 t -71.11 -40.63 71.37 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.438 -0.346 . . . . 20.0 110.796 176.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 483' ' ' HIS . 1.4 tp -63.44 -44.97 92.98 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.259 -0.428 . . . . 20.0 110.929 175.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 47.7 mmm-85 -61.82 -43.93 97.86 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 120.666 0.27 . . . . 20.0 110.54 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -52.38 -43.96 65.02 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.082 -0.508 . . . . 20.0 110.653 172.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -73.2 -42.25 62.89 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 116.194 -0.457 . . . . 20.0 111.428 -177.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -63.11 -26.95 69.06 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 120.506 0.193 . . . . 20.0 111.321 -174.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -16.38 58.58 Favored 'General case' 0 CA--C 1.567 1.633 0 CA-C-N 116.753 -0.203 . . . . 20.0 111.174 176.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 33.7 mt -80.19 -21.03 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 122.426 0.291 . . . . 20.0 110.962 176.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -93.0 -42.21 9.57 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.653 0.263 . . . . 20.0 110.889 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 92.8 p -80.18 -32.97 38.65 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.24 -0.436 . . . . 20.0 111.36 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 69.8 m95 50.74 34.6 10.3 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 121.211 0.529 . . . . 20.0 110.404 -169.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -60.52 -36.43 78.37 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.7 -0.682 . . . . 20.0 111.089 178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -137.21 123.82 21.01 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.176 -0.465 . . . . 20.0 110.387 -177.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -95.66 146.39 24.53 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 116.145 -0.48 . . . . 20.0 110.735 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -120.8 79.87 32.24 Favored Pre-proline 0 CA--C 1.547 0.837 0 CA-C-N 116.074 -0.512 . . . . 20.0 110.293 174.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.79 141.49 21.71 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.766 2.311 . . . . 20.0 112.552 -176.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 49.2 t -72.69 142.29 48.23 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.762 -0.654 . . . . 20.0 110.46 173.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -80.56 -31.97 36.73 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-O 120.561 0.22 . . . . 20.0 111.006 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -84.36 -21.19 30.98 Favored 'General case' 0 CA--C 1.558 1.252 0 CA-C-N 116.371 -0.377 . . . . 20.0 111.837 -172.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.1 p -145.1 170.0 17.05 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.757 0.313 . . . . 20.0 110.772 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.32 7.84 8.73 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 112.026 0.38 . . . . 20.0 112.026 -173.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -71.61 144.28 49.52 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-O 120.715 0.293 . . . . 20.0 111.116 -177.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 17.7 t -125.33 137.96 55.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-N 116.185 -0.462 . . . . 20.0 110.725 176.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -112.51 149.21 40.74 Favored Pre-proline 0 CA--C 1.543 0.685 0 CA-C-N 116.044 -0.525 . . . . 20.0 110.771 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -84.74 -4.62 9.9 Favored 'Trans proline' 0 CA--C 1.557 1.635 0 C-N-CA 122.981 2.454 . . . . 20.0 112.595 174.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.2 mp -127.54 145.01 51.0 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.719 0.408 . . . . 20.0 110.131 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -73.14 -35.56 66.52 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-O 120.478 0.18 . . . . 20.0 111.222 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -60.35 -39.22 86.34 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.844 0.354 . . . . 20.0 110.556 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -69.55 -31.56 69.84 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.278 -0.419 . . . . 20.0 110.728 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.3 OUTLIER -60.04 -61.3 2.71 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.877 0.37 . . . . 20.0 110.176 170.466 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . 0.475 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 39.9 m -57.74 -51.03 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.889 -0.596 . . . . 20.0 111.079 -172.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -64.45 -35.56 81.31 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 116.657 -0.247 . . . . 20.0 111.03 -174.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -69.72 -41.82 74.83 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-O 120.653 0.264 . . . . 20.0 110.892 176.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -67.3 -32.55 73.61 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 122.419 -0.176 . . . . 20.0 110.91 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 24.9 mt -64.0 -29.39 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-O 120.837 0.351 . . . . 20.0 110.701 171.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -26.72 61.79 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 116.341 -0.39 . . . . 20.0 110.902 176.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -79.3 -42.41 25.83 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-O 120.536 0.208 . . . . 20.0 111.072 175.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 80.8 p -75.65 -20.61 58.36 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 120.521 0.2 . . . . 20.0 111.206 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 77.44 12.19 84.77 Favored Glycine 0 CA--C 1.542 1.734 0 C-N-CA 121.536 -0.364 . . . . 20.0 112.443 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -60.93 119.81 8.97 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 120.949 0.404 . . . . 20.0 111.261 -174.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -74.65 146.73 42.15 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.197 -0.456 . . . . 20.0 110.442 173.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 -125.84 -53.98 1.53 Allowed 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 116.19 -0.459 . . . . 20.0 111.112 -177.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -100.33 117.27 34.18 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.662 -173.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -105.26 132.11 51.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.381 -0.372 . . . . 20.0 110.662 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 42.5 t -69.41 144.84 53.25 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.25 -0.432 . . . . 20.0 110.01 172.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 92.3 mt -102.14 -15.99 16.52 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 120.536 0.208 . . . . 20.0 111.334 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.08 -48.88 21.67 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.622 -0.263 . . . . 20.0 111.123 177.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 31.9 p -120.11 -4.03 10.06 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 111.957 0.354 . . . . 20.0 111.957 -175.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 83.42 -0.59 89.58 Favored Glycine 0 CA--C 1.557 2.702 0 C-N-CA 121.085 -0.579 . . . . 20.0 113.598 172.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -70.72 137.18 49.5 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 117.304 0.552 . . . . 20.0 111.089 -176.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 51.1 m -105.16 147.78 27.59 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 116.337 -0.392 . . . . 20.0 111.156 -177.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -132.62 157.49 44.65 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.033 -0.531 . . . . 20.0 110.886 -177.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.8 tt -78.57 -25.05 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 CA-C-N 116.289 -0.414 . . . . 20.0 111.593 -174.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 34.1 p30 -151.64 170.97 18.39 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-O 120.967 0.413 . . . . 20.0 111.041 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -67.82 -36.08 79.75 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.118 -0.492 . . . . 20.0 111.108 -175.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -59.48 -46.92 87.42 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.611 -0.268 . . . . 20.0 111.076 -175.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -64.03 -46.33 84.91 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.645 -0.252 . . . . 20.0 110.869 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -60.02 -46.6 88.96 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.584 -0.28 . . . . 20.0 110.818 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 25.0 t -58.65 -49.14 78.61 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.496 -0.32 . . . . 20.0 110.851 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 22.2 t -59.55 -42.51 92.54 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.403 -0.362 . . . . 20.0 111.018 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -62.84 -50.29 71.52 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.517 -0.31 . . . . 20.0 111.226 -178.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 19.9 mt -66.84 -35.29 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-O 120.486 0.184 . . . . 20.0 110.655 -176.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -67.5 -44.42 78.52 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.729 -0.214 . . . . 20.0 111.004 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 23.6 t -74.77 -39.33 61.85 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.649 -0.251 . . . . 20.0 111.575 -175.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 72.3 t -93.03 -48.26 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 N-CA-C 111.517 0.192 . . . . 20.0 111.517 -170.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 . . . . . 0 CA--C 1.551 1.017 0 CA-C-N 116.651 -0.249 . . . . 20.0 111.489 -172.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 120.543 0.211 . . . . 20.0 111.538 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -148.01 166.75 26.8 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 120.937 0.398 . . . . 20.0 111.138 -178.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -142.1 137.74 31.2 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.96 -0.564 . . . . 20.0 110.604 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.89 123.75 38.54 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 116.406 -0.361 . . . . 20.0 110.565 -178.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -100.88 153.99 37.41 Favored Pre-proline 0 N--CA 1.481 1.122 0 CA-C-N 116.551 -0.295 . . . . 20.0 110.897 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -60.94 144.11 99.5 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 122.589 2.193 . . . . 20.0 112.584 -177.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -91.09 124.54 35.39 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.151 -0.477 . . . . 20.0 110.157 173.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -129.5 -8.97 4.62 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 111.862 0.319 . . . . 20.0 111.862 -173.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 90.9 p -66.4 -23.62 66.34 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 120.531 0.205 . . . . 20.0 111.25 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -141.64 167.08 23.0 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.441 -0.345 . . . . 20.0 110.405 173.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -93.43 89.85 6.49 Favored 'General case' 0 CA--C 1.558 1.253 0 CA-C-O 120.955 0.407 . . . . 20.0 111.974 -169.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 33.8 pt -105.17 171.89 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 CA-C-N 115.962 -0.563 . . . . 20.0 110.442 169.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -74.03 139.08 44.48 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.933 -0.395 . . . . 20.0 109.933 169.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -109.19 97.77 7.32 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.952 0.406 . . . . 20.0 110.888 -170.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -59.36 143.43 49.56 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.619 178.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -68.3 -9.96 51.33 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 116.341 -0.39 . . . . 20.0 111.629 -175.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -74.53 -17.2 60.78 Favored 'General case' 0 CA--C 1.56 1.356 0 O-C-N 122.396 -0.19 . . . . 20.0 111.073 174.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.858 0.361 . . . . 20.0 110.224 169.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 50.7 p-10 . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.656 0.265 . . . . 20.0 111.275 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -159.42 175.99 12.65 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.06 0.457 . . . . 20.0 111.45 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -134.76 155.19 51.02 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.366 -0.834 . . . . 20.0 109.491 169.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -98.5 134.08 41.97 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.879 0.371 . . . . 20.0 110.836 -175.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 14.3 tp -133.33 115.76 15.29 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.988 -0.551 . . . . 20.0 110.34 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 34.6 mt -87.48 122.29 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-O 120.95 0.405 . . . . 20.0 110.434 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 44.0 t -136.49 128.26 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-N 115.829 -0.623 . . . . 20.0 110.204 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.1 t0 53.04 36.38 21.99 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 120.901 0.382 . . . . 20.0 111.213 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 80.19 0.34 85.9 Favored Glycine 0 CA--C 1.55 2.272 0 C-N-CA 121.547 -0.359 . . . . 20.0 112.95 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -107.79 136.33 47.7 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.491 0.316 . . . . 20.0 110.646 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 95.3 t -80.0 122.54 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-O 120.701 0.286 . . . . 20.0 110.231 173.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -106.38 152.12 24.0 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.239 -0.437 . . . . 20.0 110.193 172.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -117.08 119.17 34.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 20.0 110.018 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.1 mt -112.13 124.68 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 116.477 -0.328 . . . . 20.0 110.808 -171.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.6 t -63.56 137.2 58.03 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.283 -0.417 . . . . 20.0 110.564 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 29.4 pt -69.51 -38.86 77.71 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 CA-C-N 116.644 -0.253 . . . . 20.0 111.642 -176.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.01 -65.48 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 111.857 0.318 . . . . 20.0 111.857 -177.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 26.7 p -105.09 -4.59 21.73 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 116.05 -0.523 . . . . 20.0 112.374 -169.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt 59.28 38.07 23.36 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.56 0.344 . . . . 20.0 111.902 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -79.71 129.09 34.17 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 109.889 -0.412 . . . . 20.0 109.889 169.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 21.7 p -91.28 140.45 29.78 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 116.36 -0.382 . . . . 20.0 111.122 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -132.93 141.53 48.4 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.998 -0.546 . . . . 20.0 110.9 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 72.0 t -79.34 -19.28 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 116.166 -0.47 . . . . 20.0 110.898 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 85.1 m -132.67 136.42 46.44 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.729 0.299 . . . . 20.0 111.155 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.13 -34.92 74.19 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.348 -0.387 . . . . 20.0 110.835 176.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 36.0 p -55.22 -38.66 68.73 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 116.755 -0.202 . . . . 20.0 111.011 178.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 14.7 m -67.83 -41.2 83.36 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.496 -0.32 . . . . 20.0 110.898 177.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.63 -49.19 77.57 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.441 -0.345 . . . . 20.0 110.986 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -46.69 88.77 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.594 0.235 . . . . 20.0 110.584 -178.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -54.36 -46.22 72.92 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 116.187 -0.461 . . . . 20.0 110.777 173.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -70.72 -42.19 70.9 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 116.233 -0.44 . . . . 20.0 111.415 -173.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -59.7 -23.66 63.32 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 116.732 -0.213 . . . . 20.0 111.492 -172.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -58.79 -31.36 68.34 Favored 'General case' 0 CA--C 1.56 1.348 0 CA-C-O 120.583 0.23 . . . . 20.0 111.013 175.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 26.4 mt -65.22 -18.92 24.7 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.376 0 CA-C-O 120.597 0.236 . . . . 20.0 111.055 178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -101.11 -45.84 5.26 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 120.611 0.243 . . . . 20.0 111.163 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 92.5 p -78.98 -35.03 43.64 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.487 -0.324 . . . . 20.0 111.538 -173.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 69.4 m95 52.11 36.52 19.2 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-O 121.109 0.48 . . . . 20.0 110.997 -173.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -66.15 -34.66 78.54 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.899 -0.591 . . . . 20.0 111.413 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -131.58 135.01 46.64 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.326 -0.397 . . . . 20.0 110.398 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -95.09 143.04 26.86 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 116.333 -0.394 . . . . 20.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -124.67 79.89 62.41 Favored Pre-proline 0 CA--C 1.554 1.105 0 CA-C-N 116.073 -0.512 . . . . 20.0 110.32 173.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 523' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 530' ' ' VAL . 80.3 Cg_endo -78.27 159.62 29.62 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.884 2.389 . . . . 20.0 112.769 -176.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 49.9 t -88.51 143.75 26.77 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.835 -0.62 . . . . 20.0 110.598 174.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -73.28 -40.07 64.86 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-O 120.677 0.275 . . . . 20.0 111.337 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -88.36 -13.64 40.14 Favored 'General case' 0 CA--C 1.557 1.246 0 N-CA-C 112.336 0.495 . . . . 20.0 112.336 -169.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.2 p -145.02 173.66 11.7 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 120.902 0.382 . . . . 20.0 111.031 176.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -87.89 7.16 32.11 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 112.16 0.43 . . . . 20.0 112.16 -170.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -69.34 146.62 52.02 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 120.853 0.359 . . . . 20.0 111.254 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . 0.42 ' HA ' ' HA ' ' A' ' 523' ' ' PRO . 12.2 t -122.98 128.46 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 115.755 -0.657 . . . . 20.0 110.169 169.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -105.73 150.54 39.25 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-N 116.121 -0.49 . . . . 20.0 110.517 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.98 -2.04 11.56 Favored 'Trans proline' 0 CA--C 1.556 1.593 0 C-N-CA 122.8 2.333 . . . . 20.0 112.636 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.4 mp -135.24 142.46 45.98 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.442 -0.345 . . . . 20.0 110.227 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -69.63 -44.2 71.13 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.666 0.269 . . . . 20.0 110.931 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -58.59 -33.24 69.76 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 116.583 -0.28 . . . . 20.0 111.064 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -66.83 -45.11 79.26 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.585 -0.28 . . . . 20.0 111.248 -178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.62 -26.29 61.62 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 120.988 -0.285 . . . . 20.0 110.799 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 4.2 m -65.37 -58.35 6.11 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.595 0.236 . . . . 20.0 110.557 175.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -63.3 -29.64 70.92 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 116.715 -0.221 . . . . 20.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -69.33 -42.61 75.12 Favored 'General case' 0 CA--C 1.555 1.162 0 CA-C-O 120.62 0.248 . . . . 20.0 110.919 174.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -67.63 -31.51 71.57 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.869 -0.15 . . . . 20.0 111.037 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 28.1 mt -61.72 -29.49 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 CA-C-O 120.725 0.298 . . . . 20.0 110.405 171.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 543' ' ' HIS . . . . . 0.505 ' HA ' HD11 ' A' ' 560' ' ' ILE . 3.3 t-80 -75.43 -25.11 57.24 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 116.336 -0.393 . . . . 20.0 111.144 175.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -79.48 -42.14 25.92 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 116.779 -0.191 . . . . 20.0 110.962 175.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 82.6 p -73.35 -32.72 64.69 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 120.668 0.271 . . . . 20.0 110.989 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 86.8 11.34 70.87 Favored Glycine 0 CA--C 1.54 1.612 0 CA-C-N 116.424 -0.353 . . . . 20.0 112.386 -178.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -58.08 107.25 0.45 Allowed 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 120.816 0.341 . . . . 20.0 111.25 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -81.98 128.39 34.03 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 116.369 -0.378 . . . . 20.0 110.094 173.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -130.22 -32.97 1.75 Allowed 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 116.137 -0.483 . . . . 20.0 111.899 -169.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -91.72 98.55 11.69 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.765 0.317 . . . . 20.0 110.393 -177.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -97.18 128.32 43.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.385 -0.371 . . . . 20.0 110.867 -176.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 48.0 t -68.05 144.86 54.92 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.161 -0.472 . . . . 20.0 110.073 171.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 86.0 mt -101.37 -16.43 16.89 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 116.7 -0.227 . . . . 20.0 111.252 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.09 -47.91 26.43 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 116.681 -0.236 . . . . 20.0 111.132 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.8 p -119.99 -3.15 10.17 Favored 'General case' 0 CA--C 1.563 1.453 0 N-CA-C 112.07 0.396 . . . . 20.0 112.07 -175.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 80.19 0.09 85.24 Favored Glycine 0 CA--C 1.557 2.676 0 C-N-CA 121.088 -0.577 . . . . 20.0 113.568 173.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -72.62 140.08 47.77 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 117.347 0.574 . . . . 20.0 110.967 -177.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 15.3 m -103.77 147.13 27.63 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 116.39 -0.368 . . . . 20.0 111.215 -176.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -132.12 159.73 38.05 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.928 -0.578 . . . . 20.0 110.737 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . 0.505 HD11 ' HA ' ' A' ' 543' ' ' HIS . 15.5 tt -84.44 -24.14 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 CA-C-N 116.242 -0.435 . . . . 20.0 111.883 -170.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.9 p30 -151.33 172.63 15.59 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-O 120.944 0.402 . . . . 20.0 110.902 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -64.35 -41.66 96.63 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.069 -0.514 . . . . 20.0 111.139 -176.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.7 mp0 -59.14 -45.42 91.0 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 116.602 -0.272 . . . . 20.0 111.138 -173.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -65.13 -44.26 89.25 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.663 -0.244 . . . . 20.0 110.835 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -59.69 -46.9 87.67 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 120.682 0.277 . . . . 20.0 110.87 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 29.2 t -60.6 -47.16 87.46 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.47 -0.332 . . . . 20.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 24.6 t -58.44 -42.34 87.12 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.462 -0.335 . . . . 20.0 110.904 177.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -63.53 -50.78 68.19 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.363 -0.38 . . . . 20.0 111.128 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 20.6 mt -65.75 -35.9 76.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-O 120.587 0.232 . . . . 20.0 110.75 -176.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -68.24 -45.39 73.36 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 116.656 -0.247 . . . . 20.0 111.176 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 35.4 p -78.18 -33.62 50.05 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 111.791 0.293 . . . . 20.0 111.791 -174.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 69.9 t -95.13 -49.15 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 CA-C-O 120.497 0.189 . . . . 20.0 111.44 -173.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 . . . . . 0 CA--C 1.551 1.018 0 CA-C-N 116.709 -0.223 . . . . 20.0 111.558 -173.195 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 111.641 0.237 . . . . 20.0 111.641 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -145.99 158.72 43.86 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 121.049 0.452 . . . . 20.0 111.469 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -138.32 138.39 38.3 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 115.671 -0.695 . . . . 20.0 110.326 177.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.5 tt -100.37 124.35 45.76 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 116.496 -0.32 . . . . 20.0 110.655 -177.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -98.24 151.18 37.39 Favored Pre-proline 0 CA--C 1.555 1.14 0 CA-C-N 116.358 -0.383 . . . . 20.0 110.698 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -63.92 157.73 51.05 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 122.464 2.109 . . . . 20.0 112.594 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 42.0 t -101.44 136.31 41.49 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.502 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.11 -11.52 1.47 Allowed 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 116.4 -0.364 . . . . 20.0 111.599 -177.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 18.8 p -68.44 -25.56 65.07 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 111.676 0.25 . . . . 20.0 111.676 -177.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.4 pp -137.71 168.87 18.81 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-O 120.803 0.335 . . . . 20.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -89.18 105.47 17.81 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 116.169 -0.468 . . . . 20.0 111.463 -170.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 26.0 pt -146.05 170.68 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 CA-C-N 115.763 -0.653 . . . . 20.0 109.954 170.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -70.87 174.67 5.82 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.681 -0.488 . . . . 20.0 109.681 169.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -150.04 151.81 33.84 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 120.841 0.353 . . . . 20.0 110.645 176.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -96.5 145.83 25.34 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.962 -0.563 . . . . 20.0 110.645 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.59 -9.94 40.47 Favored 'General case' 0 CA--C 1.556 1.184 0 CA-C-N 116.492 -0.322 . . . . 20.0 111.729 -177.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -77.74 -12.54 59.98 Favored 'General case' 0 CA--C 1.56 1.333 0 O-C-N 122.441 -0.162 . . . . 20.0 111.274 175.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.3 mm? . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.704 0.288 . . . . 20.0 110.589 169.676 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 13.8 p30 . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.624 0.249 . . . . 20.0 111.595 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 483' ' ' HIS . . . . . 0.556 ' HB3' HD21 ' A' ' 509' ' ' LEU . 56.4 p-80 -161.83 176.56 10.74 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.91 0.386 . . . . 20.0 111.412 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -139.28 160.92 38.69 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.781 -0.645 . . . . 20.0 110.3 171.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -100.19 136.38 40.18 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 120.876 0.369 . . . . 20.0 110.826 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.2 tp -134.73 117.39 15.95 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.067 -0.515 . . . . 20.0 110.29 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 29.4 mt -88.05 123.04 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 120.905 0.384 . . . . 20.0 110.57 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 39.3 t -138.38 129.58 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 115.857 -0.611 . . . . 20.0 110.165 -178.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.75 36.38 21.03 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-O 120.945 0.402 . . . . 20.0 111.217 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 78.81 5.01 88.6 Favored Glycine 0 CA--C 1.55 2.258 0 C-N-CA 121.505 -0.378 . . . . 20.0 112.958 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 23.8 mtt180 -113.51 136.85 52.35 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.516 0.326 . . . . 20.0 110.709 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 98.6 t -80.75 119.61 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 110.256 -0.276 . . . . 20.0 110.256 174.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -101.04 149.82 23.54 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.249 -0.432 . . . . 20.0 110.3 173.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -113.99 117.09 30.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 20.0 110.004 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.1 mt -114.0 129.46 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-O 120.946 0.403 . . . . 20.0 111.026 -169.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.9 t -66.72 137.97 57.06 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.092 -0.504 . . . . 20.0 110.65 176.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 37.8 pt -70.0 -39.62 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 111.733 0.271 . . . . 20.0 111.733 -176.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.98 -63.84 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 N-CA-C 111.916 0.339 . . . . 20.0 111.916 -176.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 27.1 p -105.09 -5.0 21.22 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.495 0.554 . . . . 20.0 112.495 -169.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 58.2 38.09 26.24 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 122.531 0.332 . . . . 20.0 111.759 -177.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -78.7 132.76 37.12 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 109.975 -0.38 . . . . 20.0 109.975 169.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 32.0 p -96.07 134.3 39.28 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 120.805 0.336 . . . . 20.0 111.194 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -126.22 142.1 51.66 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.777 -0.647 . . . . 20.0 110.977 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 75.5 t -84.7 -16.18 10.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.798 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 96.6 m -132.19 132.25 42.97 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.522 -0.308 . . . . 20.0 110.855 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 20.7 mt -60.5 -37.51 81.33 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 116.398 -0.365 . . . . 20.0 111.114 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 23.6 p -53.91 -44.07 70.24 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 120.642 0.258 . . . . 20.0 111.081 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 29.4 m -69.74 -33.43 72.45 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.608 -0.269 . . . . 20.0 111.081 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.556 HD21 ' HB3' ' A' ' 483' ' ' HIS . 4.0 tp -64.38 -46.75 81.97 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 116.703 -0.226 . . . . 20.0 111.019 176.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -58.14 -48.64 79.63 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 120.884 0.374 . . . . 20.0 110.146 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -55.91 -43.1 77.0 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 115.751 -0.659 . . . . 20.0 111.061 176.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -67.27 -45.29 77.06 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 116.439 -0.346 . . . . 20.0 111.288 -177.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -59.51 -23.02 62.46 Favored 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 111.598 0.222 . . . . 20.0 111.598 -174.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.05 -26.77 60.9 Favored 'General case' 0 CA--C 1.567 1.62 0 C-N-CA 122.336 0.254 . . . . 20.0 111.34 175.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 42.6 mt -74.18 -20.85 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 122.369 0.268 . . . . 20.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -94.24 -42.62 8.85 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.638 0.256 . . . . 20.0 110.994 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 87.2 p -72.82 -36.16 67.47 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.497 -0.319 . . . . 20.0 111.28 -177.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 64.3 m95 50.57 32.2 6.49 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-O 121.195 0.522 . . . . 20.0 110.512 -169.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -70.7 -30.82 67.48 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.964 -0.562 . . . . 20.0 110.65 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -138.43 108.66 6.44 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 116.144 -0.48 . . . . 20.0 110.562 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . 0.504 ' HB2' ' CG1' ' A' ' 530' ' ' VAL . 13.4 ptpt -94.64 163.53 13.34 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.809 0.338 . . . . 20.0 110.702 174.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -127.88 81.85 69.52 Favored Pre-proline 0 CA--C 1.55 0.98 0 CA-C-N 116.021 -0.536 . . . . 20.0 110.71 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -67.3 130.97 23.72 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.666 2.244 . . . . 20.0 112.248 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 51.1 t -65.07 144.27 57.37 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 116.265 -0.425 . . . . 20.0 110.805 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -75.59 -40.04 57.11 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 120.772 0.32 . . . . 20.0 110.846 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -84.65 -21.11 30.37 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 115.926 -0.579 . . . . 20.0 112.077 -169.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.7 p -141.8 169.2 18.05 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 120.814 0.34 . . . . 20.0 110.787 174.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -86.26 9.44 17.72 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 112.603 0.594 . . . . 20.0 112.603 -169.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -81.34 159.19 24.47 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 120.94 0.4 . . . . 20.0 111.259 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . 0.504 ' CG1' ' HB2' ' A' ' 521' ' ' LYS . 39.9 t -123.54 140.26 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 115.933 -0.576 . . . . 20.0 111.034 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -110.84 145.77 33.05 Favored Pre-proline 0 CA--C 1.545 0.786 0 CA-C-N 115.967 -0.56 . . . . 20.0 110.63 173.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -85.53 -7.45 8.72 Favored 'Trans proline' 0 CA--C 1.55 1.312 0 C-N-CA 122.826 2.351 . . . . 20.0 112.783 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 5.5 mp -130.25 146.03 51.82 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.355 -0.384 . . . . 20.0 110.109 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -65.32 -42.34 93.06 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.638 -0.255 . . . . 20.0 111.362 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -68.7 -34.75 76.18 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 122.398 -0.188 . . . . 20.0 110.955 -177.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -64.35 -34.84 79.08 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 110.395 -0.224 . . . . 20.0 110.395 174.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 538' ' ' THR . 0.1 OUTLIER -61.2 -61.85 2.26 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 116.39 -0.368 . . . . 20.0 110.449 171.027 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . 0.407 ' N ' ' HD2' ' A' ' 537' ' ' ARG . 25.5 m -49.32 -54.28 17.87 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 115.921 -0.581 . . . . 20.0 111.184 -177.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -65.26 -31.04 71.98 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 116.38 -0.373 . . . . 20.0 110.98 -170.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -71.48 -42.21 68.36 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 116.663 -0.244 . . . . 20.0 111.036 172.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -68.91 -26.6 65.17 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 122.332 -0.23 . . . . 20.0 111.074 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 34.7 mt -66.72 -30.73 50.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-O 120.65 0.262 . . . . 20.0 110.428 169.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 543' ' ' HIS . . . . . 0.432 ' HA ' HD11 ' A' ' 560' ' ' ILE . 4.7 t-80 -73.45 -25.27 60.42 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 116.416 -0.356 . . . . 20.0 111.061 175.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -80.56 -44.57 18.8 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-O 120.621 0.248 . . . . 20.0 110.983 175.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 19.4 p -81.3 -23.95 37.53 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 116.463 -0.335 . . . . 20.0 111.497 -174.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 83.92 8.39 84.24 Favored Glycine 0 CA--C 1.544 1.869 0 C-N-CA 121.545 -0.36 . . . . 20.0 112.823 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -53.72 115.35 1.94 Allowed 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 120.906 0.384 . . . . 20.0 111.062 -177.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 56.5 mmt-85 -82.95 88.44 6.83 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.339 -0.391 . . . . 20.0 110.668 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 52.9 mmm-85 -72.34 -43.77 63.59 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 116.238 -0.437 . . . . 20.0 111.254 -177.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -106.4 115.86 30.94 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.403 -0.362 . . . . 20.0 110.889 -171.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -108.57 135.18 50.26 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.48 -0.327 . . . . 20.0 110.707 178.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 34.2 t -71.75 152.61 42.6 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.432 -0.349 . . . . 20.0 110.264 174.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 93.8 mt -113.93 -18.28 11.8 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.632 -0.258 . . . . 20.0 111.361 -178.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.11 -46.47 34.32 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 120.499 0.19 . . . . 20.0 110.943 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.0 p -119.96 -2.1 10.33 Favored 'General case' 0 CA--C 1.562 1.407 0 N-CA-C 111.774 0.287 . . . . 20.0 111.774 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 82.47 -7.07 65.96 Favored Glycine 0 CA--C 1.554 2.493 0 C-N-CA 121.25 -0.5 . . . . 20.0 113.433 172.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -65.01 137.89 58.01 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 117.135 0.467 . . . . 20.0 111.163 -175.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 20.1 m -98.87 137.24 37.72 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.186 -0.461 . . . . 20.0 111.174 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -122.7 158.88 29.11 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 116.074 -0.512 . . . . 20.0 110.928 -178.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 560' ' ' ILE . . . . . 0.432 HD11 ' HA ' ' A' ' 543' ' ' HIS . 15.8 tt -89.26 -25.61 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.228 0 CA-C-N 116.13 -0.487 . . . . 20.0 111.839 -170.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 41.9 p30 -151.26 170.63 19.02 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 120.917 0.389 . . . . 20.0 111.243 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -66.72 -35.3 79.79 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 116.137 -0.483 . . . . 20.0 111.297 -175.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -61.95 -46.95 87.05 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 120.699 0.285 . . . . 20.0 110.978 -175.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -68.56 -43.36 76.78 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.491 -0.322 . . . . 20.0 110.823 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 16.6 ttp -58.14 -49.22 77.74 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 120.675 0.274 . . . . 20.0 111.077 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 47.6 t -60.85 -46.66 89.71 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.614 -0.266 . . . . 20.0 110.819 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 22.9 t -58.73 -42.03 87.83 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.425 -0.352 . . . . 20.0 110.896 177.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -63.77 -48.85 75.27 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.426 -0.352 . . . . 20.0 111.089 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.98 -44.06 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-O 120.561 0.22 . . . . 20.0 110.658 -178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.36 -38.76 85.3 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.517 -0.311 . . . . 20.0 111.185 -178.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 22.8 t -79.73 -38.99 32.11 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 111.632 0.234 . . . . 20.0 111.632 -176.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 75.2 t -94.45 -46.43 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 CA-C-N 116.748 -0.206 . . . . 20.0 111.489 -170.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 . . . . . 0 CA--C 1.55 0.949 0 CA-C-N 116.638 -0.255 . . . . 20.0 111.361 -174.382 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 111.556 0.206 . . . . 20.0 111.556 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -146.53 156.46 43.27 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 121.02 0.438 . . . . 20.0 111.43 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -126.44 134.92 50.85 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.619 -0.719 . . . . 20.0 110.099 175.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 tt -96.21 122.68 39.32 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 116.389 -0.368 . . . . 20.0 110.407 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -96.29 155.74 37.72 Favored Pre-proline 0 CA--C 1.553 1.076 0 CA-C-N 116.28 -0.418 . . . . 20.0 110.674 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -66.11 152.61 80.8 Favored 'Trans proline' 0 CA--C 1.547 1.137 0 C-N-CA 122.47 2.113 . . . . 20.0 112.129 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 12.3 t -88.98 122.89 32.78 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.627 -0.26 . . . . 20.0 110.834 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -117.26 -29.72 5.8 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 116.296 -0.411 . . . . 20.0 111.585 -172.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 50.1 m -71.2 -27.01 63.19 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 112.289 0.477 . . . . 20.0 112.289 -169.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.3 pp -140.81 168.08 20.66 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 120.878 0.37 . . . . 20.0 111.265 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -91.38 111.73 23.35 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 116.02 -0.536 . . . . 20.0 111.56 -170.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 25.9 pt -143.98 169.88 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 CA-C-N 115.658 -0.701 . . . . 20.0 109.893 169.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 5.2 ptt-85 -69.38 171.87 7.99 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.75 -0.463 . . . . 20.0 109.75 170.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -148.29 152.47 37.18 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 120.981 0.419 . . . . 20.0 110.965 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 597' ' ' TYR . . . . . 0.531 ' H ' HD23 ' A' ' 600' ' ' LEU . 89.2 m-85 -103.67 152.13 22.15 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.707 -0.679 . . . . 20.0 110.647 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.19 -9.98 37.1 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 116.527 -0.306 . . . . 20.0 111.788 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -78.21 -17.26 56.99 Favored 'General case' 0 CA--C 1.56 1.36 0 O-C-N 122.37 -0.206 . . . . 20.0 111.045 174.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 600' ' ' LEU . . . . . 0.531 HD23 ' H ' ' A' ' 597' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 109.922 -0.399 . . . . 20.0 109.922 169.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.823 0 CA-C-O 120.85 0.357 . . . . 20.0 110.763 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -134.31 155.53 50.06 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.147 -0.479 . . . . 20.0 110.711 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -83.11 106.94 15.32 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 116.287 -0.415 . . . . 20.0 110.666 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.26 151.33 27.69 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 116.057 -0.519 . . . . 20.0 111.065 -178.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 26.2 mmt -137.6 144.77 42.15 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.966 -0.561 . . . . 20.0 110.626 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -119.17 68.51 0.8 Allowed 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 116.243 -0.435 . . . . 20.0 110.311 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 34.9 m -135.11 153.63 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 116.047 -0.524 . . . . 20.0 111.266 -173.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -93.4 169.57 10.27 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.894 -0.594 . . . . 20.0 110.504 172.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -136.54 165.38 25.98 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 120.84 0.352 . . . . 20.0 110.836 -178.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -81.95 50.44 1.55 Allowed 'General case' 0 CA--C 1.556 1.198 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.685 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -96.54 4.42 52.05 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 116.223 -0.444 . . . . 20.0 110.871 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' HIS . . . . . 0.41 ' HB3' HD21 ' A' ' 509' ' ' LEU . 54.9 p-80 -161.06 176.41 11.38 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 116.376 -0.375 . . . . 20.0 110.731 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -138.64 157.97 45.13 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.169 -0.468 . . . . 20.0 110.574 171.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -99.55 141.52 32.24 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.325 -0.398 . . . . 20.0 110.795 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 22.1 tp -137.37 113.82 10.19 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.078 -0.51 . . . . 20.0 110.334 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 27.9 mt -84.86 122.81 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 120.868 0.366 . . . . 20.0 110.515 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 48.2 t -134.66 123.98 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 115.936 -0.574 . . . . 20.0 110.113 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 38.4 t0 50.48 40.27 22.84 Favored 'General case' 0 CA--C 1.564 1.498 0 CA-C-O 121.066 0.46 . . . . 20.0 111.068 -177.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.31 -26.61 6.86 Favored Glycine 0 CA--C 1.547 2.052 0 CA-C-N 116.184 -0.462 . . . . 20.0 112.848 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 59.2 mtm-85 -80.34 132.6 35.82 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 120.638 0.256 . . . . 20.0 111.045 -177.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 84.8 t -80.01 117.86 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 116.462 -0.336 . . . . 20.0 110.103 170.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.0 m-30 -100.9 155.14 18.12 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.334 -0.394 . . . . 20.0 110.225 173.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -118.54 127.26 53.45 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.132 -0.485 . . . . 20.0 110.021 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.6 mt -121.01 130.45 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-O 120.915 0.388 . . . . 20.0 111.116 -169.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 5.9 t -67.06 138.45 57.16 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.982 -0.554 . . . . 20.0 110.584 175.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 26.2 pt -70.28 -39.37 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 111.646 0.239 . . . . 20.0 111.646 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.85 -63.82 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 111.954 0.353 . . . . 20.0 111.954 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.3 p -105.07 -4.53 21.83 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.386 0.513 . . . . 20.0 112.386 -169.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 57.2 35.39 26.13 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 122.654 0.382 . . . . 20.0 111.856 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -76.8 131.57 38.74 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.932 -0.395 . . . . 20.0 109.932 169.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 32.9 p -93.1 146.12 23.89 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.978 0.418 . . . . 20.0 111.132 -177.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -138.5 140.82 39.31 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.782 -0.644 . . . . 20.0 110.931 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 74.1 t -80.3 -16.84 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 115.96 -0.564 . . . . 20.0 111.125 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 73.2 m -134.73 136.0 42.36 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 116.488 -0.323 . . . . 20.0 111.07 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 21.7 mt -61.31 -38.94 88.64 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 116.341 -0.391 . . . . 20.0 110.857 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 7.5 p -52.32 -45.49 65.62 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-O 120.886 0.374 . . . . 20.0 110.873 176.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 3.7 t -64.98 -40.16 94.57 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.188 -0.46 . . . . 20.0 110.97 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 483' ' ' HIS . 4.9 tp -62.81 -46.12 89.44 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 116.279 -0.418 . . . . 20.0 111.127 178.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -59.66 -46.58 88.6 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 120.801 0.334 . . . . 20.0 110.311 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -54.79 -42.79 72.19 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.883 -0.598 . . . . 20.0 111.056 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -69.6 -43.99 71.67 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 116.33 -0.395 . . . . 20.0 111.401 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -59.4 -22.83 61.99 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 111.667 0.247 . . . . 20.0 111.667 -173.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -22.24 64.27 Favored 'General case' 0 CA--C 1.568 1.66 0 C-N-CA 122.105 0.162 . . . . 20.0 111.237 177.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 49.4 mt -74.85 -19.37 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 122.301 0.24 . . . . 20.0 111.06 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -98.75 -42.67 7.1 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.583 0.23 . . . . 20.0 111.078 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 87.9 p -72.23 -36.94 69.25 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.514 -0.312 . . . . 20.0 111.305 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 61.4 m95 51.23 31.24 6.62 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.269 0.556 . . . . 20.0 110.298 -169.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.11 -33.3 75.17 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.724 -0.671 . . . . 20.0 110.674 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -127.77 116.19 19.83 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.081 -0.509 . . . . 20.0 110.419 177.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -88.79 146.34 25.06 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.158 -0.474 . . . . 20.0 110.505 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -121.75 80.0 40.3 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-N 116.114 -0.494 . . . . 20.0 110.423 176.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -75.82 146.72 30.12 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.759 2.306 . . . . 20.0 112.416 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 14.2 t -71.84 170.35 13.86 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-N 115.919 -0.582 . . . . 20.0 110.782 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.16 -40.22 7.29 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 116.387 -0.369 . . . . 20.0 110.754 175.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -85.72 -17.96 34.45 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.968 -0.56 . . . . 20.0 111.536 -172.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 18.1 p -141.96 170.28 16.02 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-O 120.838 0.352 . . . . 20.0 110.811 175.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -84.99 7.58 20.8 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 116.371 -0.377 . . . . 20.0 111.8 -174.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -66.77 149.49 50.48 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 120.695 0.283 . . . . 20.0 111.07 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 14.9 t -127.16 138.31 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 CA-C-N 116.25 -0.432 . . . . 20.0 110.814 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -111.62 152.5 44.1 Favored Pre-proline 0 CA--C 1.546 0.79 0 CA-C-N 115.937 -0.574 . . . . 20.0 110.652 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -84.69 -7.39 9.6 Favored 'Trans proline' 0 CA--C 1.553 1.432 0 C-N-CA 122.849 2.366 . . . . 20.0 112.736 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.2 mp -132.19 144.43 50.66 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.528 0.331 . . . . 20.0 110.223 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.01 88.31 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 116.499 -0.319 . . . . 20.0 110.989 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -65.67 -37.06 85.44 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 116.686 -0.233 . . . . 20.0 111.04 -176.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -60.62 -41.89 95.75 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.617 0.246 . . . . 20.0 110.561 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -61.48 -52.31 65.03 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.389 -0.369 . . . . 20.0 110.448 174.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 52.6 m -54.06 -49.74 68.32 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 116.38 -0.373 . . . . 20.0 110.942 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -61.89 -37.82 86.03 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 116.726 -0.216 . . . . 20.0 111.263 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -65.81 -41.52 91.76 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-O 120.732 0.301 . . . . 20.0 110.785 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.77 -29.65 68.08 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.695 -0.229 . . . . 20.0 111.279 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 28.4 mt -65.11 -29.39 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-O 120.567 0.222 . . . . 20.0 110.538 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' HIS . . . . . 0.447 ' HA ' HD11 ' A' ' 560' ' ' ILE . 2.8 t-80 -78.91 -26.55 43.74 Favored 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 116.42 -0.355 . . . . 20.0 111.225 175.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -73.53 -41.33 63.14 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 120.754 0.312 . . . . 20.0 110.762 174.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 16.4 p -80.92 -40.78 24.02 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 116.305 -0.407 . . . . 20.0 111.157 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 96.5 16.13 38.15 Favored Glycine 0 CA--C 1.544 1.857 0 C-N-CA 121.498 -0.382 . . . . 20.0 112.748 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.7 115.21 2.03 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 116.892 0.346 . . . . 20.0 111.078 -177.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 48.0 mmt-85 -83.85 80.01 9.29 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.065 0.46 . . . . 20.0 110.495 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 39.5 mtp85 -71.33 -36.45 71.56 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 115.864 -0.607 . . . . 20.0 111.698 -173.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -101.19 110.7 22.75 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.533 -0.303 . . . . 20.0 111.053 -169.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -105.09 130.87 53.18 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 120.816 0.341 . . . . 20.0 110.796 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 45.6 t -69.82 151.11 46.13 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.175 -0.466 . . . . 20.0 110.137 171.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 78.2 mt -106.91 -17.72 14.12 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.69 -0.232 . . . . 20.0 111.39 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.16 -48.2 24.77 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 116.744 -0.207 . . . . 20.0 111.093 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.1 p -120.0 -3.03 10.17 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 111.954 0.353 . . . . 20.0 111.954 -176.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 80.04 -1.42 79.88 Favored Glycine 0 CA--C 1.556 2.625 0 C-N-CA 121.041 -0.599 . . . . 20.0 113.485 172.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -68.49 140.49 55.69 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 117.223 0.511 . . . . 20.0 111.069 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 16.1 m -106.09 143.48 34.16 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 116.242 -0.435 . . . . 20.0 111.197 -176.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -132.93 159.25 40.48 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 116.002 -0.544 . . . . 20.0 110.747 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.447 HD11 ' HA ' ' A' ' 543' ' ' HIS . 7.0 tt -84.7 -25.34 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 116.199 -0.455 . . . . 20.0 111.915 -171.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 37.2 p30 -152.76 171.34 18.39 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 121.055 0.455 . . . . 20.0 111.327 -177.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -66.34 -36.53 83.15 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.949 -0.569 . . . . 20.0 111.26 -176.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.3 mp0 -61.29 -47.98 83.48 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 120.586 0.232 . . . . 20.0 111.183 -174.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -67.26 -40.72 86.27 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 116.686 -0.234 . . . . 20.0 110.788 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 32.8 ttp -59.47 -49.67 76.9 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 116.604 -0.271 . . . . 20.0 111.043 178.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 40.0 t -59.73 -46.82 87.96 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 116.65 -0.25 . . . . 20.0 110.835 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 32.6 t -57.24 -44.96 84.29 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 116.433 -0.349 . . . . 20.0 110.938 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -62.36 -48.11 81.22 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.442 -0.345 . . . . 20.0 111.294 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.25 -34.16 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 120.586 0.231 . . . . 20.0 110.669 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -71.63 -45.6 61.6 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.557 -0.292 . . . . 20.0 111.127 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 95.4 p -77.09 -33.16 57.06 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 111.787 0.291 . . . . 20.0 111.787 -173.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 70.9 t -96.14 -49.61 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 CA-C-O 120.507 0.194 . . . . 20.0 111.441 -173.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -100.08 -9.91 22.09 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 116.602 -0.272 . . . . 20.0 111.664 -172.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 22.4 m 55.28 36.85 27.93 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 120.841 0.353 . . . . 20.0 111.098 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . 0.412 HE21 HD21 ' A' ' 583' ' ' LEU . 7.5 mm100 -120.15 161.48 20.97 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.244 -0.434 . . . . 20.0 111.04 -178.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -107.15 114.87 60.8 Favored Pre-proline 0 CA--C 1.554 1.1 0 CA-C-N 116.024 -0.534 . . . . 20.0 110.533 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -68.76 -20.21 40.18 Favored 'Trans proline' 0 CA--C 1.55 1.315 0 C-N-CA 122.477 2.118 . . . . 20.0 112.633 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 8.5 t -85.04 -1.53 56.94 Favored 'General case' 0 CA--C 1.556 1.186 0 CA-C-O 120.719 0.295 . . . . 20.0 110.953 174.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -77.46 -154.15 6.29 Favored Glycine 0 CA--C 1.541 1.668 0 N-CA-C 112.291 -0.324 . . . . 20.0 112.291 177.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -111.85 29.56 7.76 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 120.71 0.291 . . . . 20.0 111.489 -177.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 58.4 m -104.4 -40.44 6.08 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 116.56 -0.291 . . . . 20.0 111.069 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 58.61 80.75 0.17 Allowed 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.118 0.485 . . . . 20.0 110.928 -177.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . 0.412 HD21 HE21 ' A' ' 575' ' ' GLN . 2.4 mp -102.05 22.44 13.13 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 115.861 -0.608 . . . . 20.0 111.5 -174.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -145.64 158.67 43.82 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.028 0.442 . . . . 20.0 111.213 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -134.06 138.74 45.52 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.785 -0.643 . . . . 20.0 110.31 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.1 tt -96.91 124.59 40.93 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 116.289 -0.414 . . . . 20.0 110.675 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -104.41 145.75 31.27 Favored Pre-proline 0 CA--C 1.55 0.97 0 CA-C-N 116.301 -0.409 . . . . 20.0 110.523 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -60.12 157.34 35.1 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 122.554 2.169 . . . . 20.0 112.424 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 48.3 t -93.41 126.35 38.5 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.189 -0.459 . . . . 20.0 110.466 176.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 33.4 ptt-85 -116.62 -16.02 10.76 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 116.41 -0.359 . . . . 20.0 111.369 -177.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 38.2 m -66.65 -26.84 67.25 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.584 -0.28 . . . . 20.0 111.388 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.2 pp -143.23 163.3 33.31 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 120.713 0.292 . . . . 20.0 110.657 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -86.64 122.72 30.95 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-O 121.033 0.445 . . . . 20.0 111.422 -171.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 35.6 pt -144.57 170.18 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 115.644 -0.707 . . . . 20.0 109.961 174.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . 0.449 HH22 " H1'" ' E' ' 27' ' ' ' DG' . 24.4 ptt180 -73.33 134.77 44.23 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 110.058 -0.349 . . . . 20.0 110.058 170.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -110.57 99.67 8.61 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.193 -0.458 . . . . 20.0 110.746 -172.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -59.65 147.43 37.47 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.262 -0.426 . . . . 20.0 110.643 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.89 -10.01 44.03 Favored 'General case' 0 CA--C 1.559 1.318 0 N-CA-C 112.186 0.439 . . . . 20.0 112.186 -171.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -84.48 -18.56 35.46 Favored 'General case' 0 CA--C 1.552 1.055 0 O-C-N 122.408 -0.183 . . . . 20.0 111.429 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.65 -35.85 38.69 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.61 0.243 . . . . 20.0 110.476 170.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 26.3 t -54.19 -70.09 0.11 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 116.07 -0.513 . . . . 20.0 110.575 -178.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -153.65 128.79 9.68 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.907 0.384 . . . . 20.0 110.769 175.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -139.23 143.68 38.13 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.948 -0.569 . . . . 20.0 110.588 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 N--CA 1.48 1.057 0 CA-C-N 116.203 -0.453 . . . . 20.0 110.972 179.386 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.07 0 O5'-C5'-C4' 114.259 2.9 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.624 0 O4'-C4'-C3' 108.596 2.996 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.577 0 O5'-C5'-C4' 114.027 2.734 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.707 0 O5'-C5'-C4' 115.313 3.652 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.237 0 O5'-C5'-C4' 114.344 2.96 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.32 0 P-O3'-C3' 123.762 3.385 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.637 4.386 1 O4'-C4'-C3' 109.638 4.038 . . . . 20.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.813 0 O4'-C4'-C3' 108.802 3.202 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.544 0 C1'-O4'-C4' 104.162 -3.956 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.804 0 C5'-C4'-C3' 110.759 -2.627 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.368 0 P-O3'-C3' 123.726 3.355 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.213 0 P-O3'-C3' 122.489 2.324 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.587 0 O5'-C5'-C4' 114.469 3.049 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.181 0 P-O3'-C3' 123.794 3.411 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.438 0 O4'-C4'-C3' 108.616 3.016 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.417 0 O4'-C4'-C3' 108.308 2.708 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.254 0 P-O3'-C3' 123.236 2.946 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.445 0 C1'-O4'-C4' 106.077 -2.588 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.536 0 P-O3'-C3' 123.303 3.002 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.622 0 C1'-O4'-C4' 106.081 -2.585 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.727 0 O5'-C5'-C4' 114.223 2.873 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.36 0 O4'-C4'-C3' 108.548 2.948 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.471 0 P-O3'-C3' 122.667 2.472 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.625 0 O4'-C4'-C3' 108.276 2.676 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.02 0 O4'-C4'-C3' 108.731 3.131 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.608 0 P-O3'-C3' 123.96 3.55 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 27' ' ' ' DG' . . . . . 0.449 " H1'" HH22 ' A' ' 595' ' ' ARG . . . . . . . . 0 C5'--C4' 1.539 3.533 2 C3'-C2'-C1' 94.906 -5.567 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.069 0 O3'-P-O5' 98.514 -2.887 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.959 1 O4'-C4'-C3' 109.838 4.238 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.765 0 O5'-C5'-C4' 113.749 2.535 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.218 0 O5'-C5'-C4' 114.044 2.746 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.401 2 P-O3'-C3' 125.245 4.621 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.04 0 O5'-C5'-C4' 115.382 3.701 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.535 0 P-O3'-C3' 123.358 3.049 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.534 0 O4'-C4'-C3' 108.523 2.923 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.594 0 O4'-C4'-C3' 108.529 2.929 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.614 0 O4'-C4'-C3' 108.605 3.005 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.265 0 P-O3'-C3' 122.887 2.656 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.932 0 CA-C-O 120.871 0.367 . . . . 20.0 110.947 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -132.0 156.65 45.85 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 116.165 -0.471 . . . . 20.0 110.706 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -70.86 154.02 42.21 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 116.319 -0.4 . . . . 20.0 110.879 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -43.86 108.72 0.12 Allowed 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 120.988 0.423 . . . . 20.0 110.566 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 99.6 mtp -56.94 134.15 55.34 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.492 -0.776 . . . . 20.0 111.636 -169.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -73.54 93.92 2.07 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.928 -0.578 . . . . 20.0 109.912 171.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 18.1 m -62.11 146.02 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 115.838 -0.619 . . . . 20.0 111.851 -169.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -150.33 162.14 41.09 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.455 -0.793 . . . . 20.0 110.674 175.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -139.52 172.06 13.35 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 116.246 -0.434 . . . . 20.0 111.081 -174.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -76.84 60.06 1.69 Allowed 'General case' 0 CA--C 1.559 1.303 0 CA-C-N 116.018 -0.537 . . . . 20.0 110.628 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . 0.434 ' CG ' HH12 ' A' ' 510' ' ' ARG . 8.0 p30 -102.98 4.51 37.47 Favored 'General case' 0 CA--C 1.556 1.174 0 CA-C-N 115.958 -0.564 . . . . 20.0 111.056 -176.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -161.28 175.25 12.49 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.583 0.353 . . . . 20.0 110.741 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -136.18 157.91 45.68 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.108 -0.497 . . . . 20.0 110.023 169.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -112.58 127.41 56.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.014 0.435 . . . . 20.0 110.81 -173.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.8 tp -121.97 118.14 28.11 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.633 -0.712 . . . . 20.0 110.16 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 25.6 mt -88.82 122.12 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 120.953 0.406 . . . . 20.0 110.618 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 41.9 t -138.14 129.31 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 115.823 -0.626 . . . . 20.0 110.092 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.69 35.83 19.4 Favored 'General case' 0 CA--C 1.565 1.558 0 CA-C-O 120.967 0.413 . . . . 20.0 111.208 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.29 3.87 88.73 Favored Glycine 0 CA--C 1.55 2.229 0 CA-C-N 116.349 -0.387 . . . . 20.0 112.836 177.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -111.67 135.3 52.46 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.524 0.33 . . . . 20.0 110.724 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 97.6 t -80.07 123.23 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 116.477 -0.328 . . . . 20.0 110.29 174.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -108.75 114.73 28.76 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.363 -0.381 . . . . 20.0 110.518 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -79.79 119.89 23.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.38 -0.373 . . . . 20.0 110.197 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.1 mt -114.35 131.13 67.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-O 120.944 0.402 . . . . 20.0 111.086 -171.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.5 t -66.69 137.25 56.55 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.998 -0.546 . . . . 20.0 110.809 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 20.4 pt -69.64 -38.42 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 116.618 -0.264 . . . . 20.0 111.652 -176.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 52.2 t -60.82 -65.52 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 N-CA-C 111.898 0.333 . . . . 20.0 111.898 -176.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.4 p -105.16 -1.82 24.98 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-N 116.041 -0.527 . . . . 20.0 112.412 -169.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 56.96 40.63 28.64 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 122.561 0.345 . . . . 20.0 111.575 -175.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -80.77 130.21 34.95 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-N 116.367 -0.379 . . . . 20.0 110.263 170.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 33.7 p -93.45 151.17 19.91 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 120.995 0.426 . . . . 20.0 111.289 -177.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -144.16 141.95 30.26 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.781 -0.645 . . . . 20.0 111.136 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 80.2 t -78.72 -16.92 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 CA-C-N 115.92 -0.582 . . . . 20.0 110.887 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 84.3 m -135.16 138.91 44.15 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 120.796 0.331 . . . . 20.0 111.218 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.37 -34.07 73.36 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 116.184 -0.462 . . . . 20.0 110.737 174.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 39.2 p -55.05 -42.7 73.02 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 116.6 -0.273 . . . . 20.0 110.785 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 38.8 m -68.36 -38.63 81.62 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 116.505 -0.316 . . . . 20.0 110.991 177.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 7.1 tp -63.14 -46.4 87.38 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.511 -0.313 . . . . 20.0 110.82 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' ARG . . . . . 0.434 HH12 ' CG ' ' A' ' 482' ' ' ASP . 0.0 OUTLIER -61.84 -48.38 80.84 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 120.552 0.215 . . . . 20.0 110.695 177.384 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -52.31 -41.22 62.76 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 116.257 -0.429 . . . . 20.0 110.856 174.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -74.53 -43.39 56.03 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 116.167 -0.47 . . . . 20.0 111.42 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -62.0 -25.97 67.95 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 122.397 -0.189 . . . . 20.0 111.465 -174.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -20.57 61.59 Favored 'General case' 0 CA--C 1.557 1.212 0 CA-C-O 120.581 0.229 . . . . 20.0 111.186 175.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 21.7 mt -81.11 -16.01 12.43 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 C-N-CA 122.347 0.259 . . . . 20.0 110.95 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -97.68 -43.48 7.17 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.715 0.293 . . . . 20.0 110.897 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 85.2 p -80.01 -34.33 38.51 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.356 -0.384 . . . . 20.0 111.31 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 55.5 m95 49.36 39.16 15.59 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-O 121.217 0.532 . . . . 20.0 110.706 -172.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -71.53 -26.97 62.88 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.866 -0.606 . . . . 20.0 111.17 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -125.05 135.06 52.36 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 116.531 -0.304 . . . . 20.0 110.56 175.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -102.46 141.17 35.72 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.174 -0.466 . . . . 20.0 110.538 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' TYR . . . . . 0.407 ' CE1' ' HB2' ' A' ' 534' ' ' ALA . 83.2 m-85 -124.28 79.95 59.66 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-N 116.167 -0.47 . . . . 20.0 110.217 172.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -78.22 149.66 25.21 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.793 2.329 . . . . 20.0 112.607 -176.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . 0.78 ' HG ' 'ZN ' ' A' ' 702' ' ' ' ZN' . 52.7 t -84.75 145.69 27.78 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.91 -0.586 . . . . 20.0 110.533 175.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -80.59 -37.34 31.41 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 116.519 -0.31 . . . . 20.0 110.918 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -84.01 -23.43 30.97 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 116.205 -0.452 . . . . 20.0 111.743 -171.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 15.2 p -139.2 161.58 37.07 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 120.769 0.319 . . . . 20.0 110.559 172.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -84.97 24.8 1.02 Allowed 'General case' 0 CA--C 1.564 1.481 0 N-CA-C 112.279 0.474 . . . . 20.0 112.279 -169.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -85.61 157.58 20.32 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 120.92 0.39 . . . . 20.0 111.198 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 11.1 t -128.81 138.21 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 CA-C-N 115.751 -0.659 . . . . 20.0 110.77 175.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -108.13 150.83 40.95 Favored Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 116.015 -0.538 . . . . 20.0 110.714 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -82.83 -0.61 10.15 Favored 'Trans proline' 0 CA--C 1.56 1.808 0 C-N-CA 122.89 2.394 . . . . 20.0 112.481 171.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 7.5 mp -133.58 141.14 47.55 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.841 0.456 . . . . 20.0 110.335 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . 0.407 ' HB2' ' CE1' ' A' ' 522' ' ' TYR . . . -69.97 -42.47 73.09 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 120.644 0.259 . . . . 20.0 111.159 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -61.12 -36.75 80.58 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 120.607 0.241 . . . . 20.0 110.924 -177.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -65.09 -39.97 93.94 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.629 -0.259 . . . . 20.0 110.833 177.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -55.25 35.15 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.878 0.37 . . . . 20.0 110.254 175.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 52.8 m -51.15 -59.21 4.43 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.906 -0.588 . . . . 20.0 111.184 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -62.45 -33.58 75.11 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 116.682 -0.235 . . . . 20.0 110.939 -175.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -66.97 -42.71 84.68 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 120.706 0.288 . . . . 20.0 111.03 175.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -70.31 -26.0 63.58 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 122.38 -0.2 . . . . 20.0 111.111 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 23.6 mt -64.59 -35.6 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-O 120.686 0.279 . . . . 20.0 110.449 170.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -73.14 -28.76 62.43 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.346 -0.388 . . . . 20.0 111.13 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -75.23 -42.44 55.34 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 120.77 0.319 . . . . 20.0 111.061 175.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 18.8 p -79.82 -19.92 47.34 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 116.413 -0.358 . . . . 20.0 111.409 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 77.23 13.67 83.38 Favored Glycine 0 CA--C 1.542 1.775 0 C-N-CA 121.481 -0.39 . . . . 20.0 112.652 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -55.73 116.59 3.01 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-O 120.776 0.322 . . . . 20.0 111.364 -175.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -78.59 129.94 35.37 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 116.259 -0.428 . . . . 20.0 110.154 171.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -136.33 -41.97 0.63 Allowed 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 116.298 -0.41 . . . . 20.0 111.556 -173.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -90.33 97.25 11.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.707 0.289 . . . . 20.0 110.412 -176.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -97.3 129.72 44.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.405 -0.361 . . . . 20.0 110.94 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 49.5 t -68.46 148.61 50.36 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.07 -0.513 . . . . 20.0 110.244 171.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 90.8 mt -103.74 -19.74 14.2 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 116.714 -0.221 . . . . 20.0 111.242 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.01 -48.37 24.42 Favored 'General case' 0 CA--C 1.556 1.174 0 CA-C-N 116.586 -0.279 . . . . 20.0 111.165 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 26.4 p -120.03 -1.61 10.36 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 112.054 0.39 . . . . 20.0 112.054 -175.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 81.51 -5.98 66.58 Favored Glycine 0 CA--C 1.556 2.643 0 C-N-CA 120.978 -0.63 . . . . 20.0 113.738 171.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -66.26 140.77 58.16 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 117.469 0.634 . . . . 20.0 111.065 -176.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 24.2 m -105.1 145.56 30.35 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 116.362 -0.381 . . . . 20.0 111.355 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -132.39 162.26 31.56 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.982 -0.554 . . . . 20.0 110.787 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 3.1 tt -80.14 -25.43 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 116.146 -0.479 . . . . 20.0 111.531 -172.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -155.05 175.05 14.32 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 121.111 0.481 . . . . 20.0 111.232 -174.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -63.86 -37.03 85.87 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.856 -0.611 . . . . 20.0 111.096 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -62.67 -48.52 78.93 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 116.419 -0.355 . . . . 20.0 111.205 -172.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -68.55 -42.7 78.0 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.901 -0.136 . . . . 20.0 110.869 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . 0.421 ' SD ' HD12 ' A' ' 569' ' ' ILE . 14.2 tmm? -56.43 -47.57 78.8 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 116.643 -0.253 . . . . 20.0 110.727 176.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 38.5 t -60.79 -49.1 78.84 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.559 -0.291 . . . . 20.0 110.959 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 29.1 t -56.34 -41.96 76.94 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.681 0.276 . . . . 20.0 110.881 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -64.83 -50.46 66.57 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 116.456 -0.338 . . . . 20.0 111.202 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . 0.421 HD12 ' SD ' ' A' ' 565' ' ' MET . 20.1 mt -64.3 -36.46 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-O 120.63 0.253 . . . . 20.0 110.679 -177.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -67.08 -42.31 84.85 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 116.59 -0.277 . . . . 20.0 111.046 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 41.4 m -77.77 -36.46 50.53 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 116.571 -0.286 . . . . 20.0 111.69 -174.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 73.8 t -97.11 -47.81 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 116.635 -0.257 . . . . 20.0 111.409 -171.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -100.04 -5.61 27.76 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 116.643 -0.253 . . . . 20.0 111.497 -173.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 38.3 m 54.89 42.57 31.0 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.628 0.371 . . . . 20.0 111.254 177.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -135.73 160.92 37.05 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.248 -0.433 . . . . 20.0 110.973 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -104.03 120.06 52.3 Favored Pre-proline 0 CA--C 1.554 1.107 0 CA-C-N 116.047 -0.524 . . . . 20.0 110.47 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -56.66 -28.43 75.25 Favored 'Trans proline' 0 CA--C 1.551 1.345 0 C-N-CA 122.519 2.146 . . . . 20.0 112.742 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 9.5 t -79.62 -2.24 41.73 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-O 120.673 0.273 . . . . 20.0 111.29 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -77.02 -151.63 4.36 Favored Glycine 0 CA--C 1.542 1.781 0 N-CA-C 112.483 -0.247 . . . . 20.0 112.483 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -112.54 29.74 7.69 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 120.744 0.307 . . . . 20.0 111.34 -176.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 68.8 m -101.11 -38.4 8.16 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 116.498 -0.319 . . . . 20.0 111.307 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 59.02 77.79 0.29 Allowed 'General case' 0 N--CA 1.503 2.224 0 CA-C-O 121.225 0.536 . . . . 20.0 110.544 -174.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 5.3 mt -105.79 12.39 30.91 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 115.732 -0.667 . . . . 20.0 112.102 -169.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -147.62 162.71 38.58 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.09 0.471 . . . . 20.0 111.476 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -138.22 137.96 38.06 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.644 -0.707 . . . . 20.0 110.156 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.5 tt -102.08 113.71 27.19 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.425 -0.352 . . . . 20.0 110.667 -175.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -88.28 152.88 50.77 Favored Pre-proline 0 CA--C 1.554 1.114 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.928 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -63.97 158.83 45.33 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 122.468 2.112 . . . . 20.0 112.554 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 24.7 t -94.59 131.53 40.25 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.143 -0.481 . . . . 20.0 110.575 176.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -120.13 -22.42 6.65 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 116.3 -0.409 . . . . 20.0 111.448 -174.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 49.1 m -73.73 -21.39 60.23 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 111.877 0.325 . . . . 20.0 111.877 -171.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 3.0 pp -143.27 169.05 18.36 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 120.876 0.369 . . . . 20.0 111.293 -177.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -91.08 113.26 25.48 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 116.119 -0.491 . . . . 20.0 111.635 -171.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 23.6 pt -149.79 164.61 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-N 115.718 -0.674 . . . . 20.0 110.309 169.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -73.23 145.66 46.04 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.952 -0.388 . . . . 20.0 109.952 171.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -126.14 152.04 46.46 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.046 0.451 . . . . 20.0 110.822 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . 0.45 ' H ' ' CD2' ' A' ' 600' ' ' LEU . 87.7 m-85 -103.17 157.8 16.75 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.771 -0.65 . . . . 20.0 110.678 -177.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.77 -9.94 56.48 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-N 116.57 -0.286 . . . . 20.0 111.747 -175.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -77.53 -20.49 54.1 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 121.314 -0.154 . . . . 20.0 110.855 173.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . 0.45 ' CD2' ' H ' ' A' ' 597' ' ' TYR . 0.3 OUTLIER -82.68 -32.57 28.05 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 109.944 -0.391 . . . . 20.0 109.944 169.371 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 56.0 m -74.43 0.87 13.19 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 115.973 -0.558 . . . . 20.0 111.707 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -54.27 143.18 23.88 Favored 'General case' 0 CA--C 1.556 1.193 0 CA-C-O 120.893 0.378 . . . . 20.0 111.145 -178.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -63.14 141.5 58.74 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 116.214 -0.448 . . . . 20.0 110.906 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 N--CA 1.478 0.973 0 CA-C-N 116.243 -0.435 . . . . 20.0 111.05 -178.763 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.312 0 O5'-C5'-C4' 114.483 3.059 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.189 1 O5'-C5'-C4' 115.907 4.077 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.595 0 O5'-C5'-C4' 114.327 2.948 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.743 2 O5'-C5'-C4' 116.481 4.487 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.573 0 O5'-C5'-C4' 114.73 3.235 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.921 0 P-O3'-C3' 123.61 3.258 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.929 1 O5'-C5'-C4' 116.035 4.168 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.817 0 P-O3'-C3' 124.036 3.614 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.694 0 O5'-C5'-C4' 114.396 2.997 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.57 0 P-O3'-C3' 123.769 3.391 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.406 0 P-O3'-C3' 123.522 3.185 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.177 0 P-O3'-C3' 122.908 2.673 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.489 0 O4'-C4'-C3' 108.71 3.11 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.606 0 P-O3'-C3' 123.348 3.04 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.586 0 O5'-C5'-C4' 114.161 2.829 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.635 0 O5'-C5'-C4' 114.236 2.883 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.147 0 P-O3'-C3' 123.452 3.126 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.972 1 O5'-C5'-C4' 116.212 4.294 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.562 0 P-O3'-C3' 123.746 3.372 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.623 0 C1'-O4'-C4' 106.127 -2.552 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.776 0 O4'-C4'-C3' 108.45 2.85 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.293 0 O4'-C4'-C3' 108.153 2.553 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.692 0 O4'-C4'-C3' 108.399 2.799 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.744 0 O4'-C4'-C3' 108.351 2.751 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.508 0 P-O3'-C3' 123.969 3.558 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.687 0 O5'-C5'-C4' 115.073 3.48 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.742 2 C3'-C2'-C1' 95.481 -5.157 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.28 0 O3'-P-O5' 98.684 -2.798 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.305 0 O5'-C5'-C4' 114.735 3.239 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.04 0 O4'-C4'-C3' 107.787 2.187 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.127 0 C1'-O4'-C4' 105.381 -3.085 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.448 1 P-O3'-C3' 125.137 4.531 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.792 0 O5'-C5'-C4' 115.107 3.505 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.416 0 P-O3'-C3' 123.078 2.815 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.672 0 O4'-C4'-C3' 108.615 3.015 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.678 0 O4'-C4'-C3' 108.624 3.024 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.514 0 O4'-C4'-C3' 108.673 3.073 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.394 0 P-O3'-C3' 122.935 2.696 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . 0.78 'ZN ' ' HG ' ' A' ' 524' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.992 0 CA-C-O 120.866 0.365 . . . . 20.0 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -68.93 148.53 50.05 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 116.26 -0.427 . . . . 20.0 110.879 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -134.71 155.65 50.18 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 116.208 -0.451 . . . . 20.0 110.715 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -148.1 141.51 25.3 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 116.166 -0.47 . . . . 20.0 110.751 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 16.5 ttm -167.11 168.67 13.43 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 116.245 -0.434 . . . . 20.0 110.8 -176.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 477' ' ' LYS . . . . . 0.411 ' HE2' " H1'" ' D' ' 17' ' ' ' DA' . 4.6 mptp? -123.71 94.7 4.32 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-N 116.269 -0.423 . . . . 20.0 110.178 173.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 29.0 m -140.4 154.48 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 116.207 -0.452 . . . . 20.0 111.069 -176.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 479' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' A' ' 479' ' ' LYS . 0.1 OUTLIER -104.23 163.38 12.45 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.998 -0.547 . . . . 20.0 110.399 173.694 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -132.71 159.05 40.79 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 116.295 -0.411 . . . . 20.0 111.013 -171.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -91.39 32.59 1.04 Allowed 'General case' 0 CA--C 1.556 1.197 0 CA-C-N 116.048 -0.524 . . . . 20.0 111.077 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 35.8 p30 -85.8 10.01 14.94 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 116.374 -0.376 . . . . 20.0 111.07 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 483' ' ' HIS . . . . . 0.451 ' HB3' HD21 ' A' ' 509' ' ' LEU . 56.5 p-80 -158.72 175.0 14.17 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 120.815 0.34 . . . . 20.0 110.909 178.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -137.54 160.57 38.78 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.37 171.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -102.59 119.42 38.8 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.403 -0.362 . . . . 20.0 110.675 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.2 tp -115.38 114.56 25.27 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.076 -0.511 . . . . 20.0 110.171 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 29.8 mt -87.18 123.22 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-O 120.97 0.414 . . . . 20.0 110.591 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 47.9 t -134.19 123.56 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 115.841 -0.618 . . . . 20.0 110.144 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 36.0 t0 49.84 42.12 23.52 Favored 'General case' 0 CA--C 1.564 1.517 0 CA-C-O 121.086 0.47 . . . . 20.0 111.064 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 86.61 -21.38 18.62 Favored Glycine 0 CA--C 1.549 2.163 0 CA-C-N 116.172 -0.467 . . . . 20.0 113.04 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 56.9 mtt85 -89.24 135.74 33.41 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 116.887 0.343 . . . . 20.0 111.058 -177.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 99.8 t -81.59 122.67 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 116.48 -0.327 . . . . 20.0 110.209 173.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -108.21 116.87 32.76 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.398 -0.365 . . . . 20.0 110.476 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -79.84 117.17 20.47 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.276 -0.42 . . . . 20.0 110.282 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.1 mt -112.9 127.85 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-O 120.802 0.334 . . . . 20.0 111.082 -172.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 4.0 t -65.16 137.05 57.38 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.227 -0.442 . . . . 20.0 110.594 176.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 35.5 pt -68.69 -39.22 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 111.75 0.278 . . . . 20.0 111.75 -176.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.83 -64.43 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 N-CA-C 111.871 0.322 . . . . 20.0 111.871 -175.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 26.5 p -104.99 -3.24 23.5 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 115.984 -0.553 . . . . 20.0 112.358 -169.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 57.8 37.54 27.09 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 122.576 0.35 . . . . 20.0 111.668 -178.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -80.57 131.09 35.47 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 110.149 -0.315 . . . . 20.0 110.149 169.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 24.4 p -93.24 145.94 24.06 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.971 0.415 . . . . 20.0 111.279 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -138.24 140.52 39.73 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.807 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 75.9 t -82.86 -16.31 11.5 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.835 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 75.5 m -134.71 134.91 41.56 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.412 -0.358 . . . . 20.0 110.961 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.42 -33.27 73.42 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 116.301 -0.409 . . . . 20.0 111.12 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 17.3 p -52.08 -46.59 65.25 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 120.727 0.298 . . . . 20.0 111.104 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 6.7 m -69.51 -33.36 72.72 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.445 -0.343 . . . . 20.0 111.181 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.451 HD21 ' HB3' ' A' ' 483' ' ' HIS . 7.7 tp -63.12 -46.33 87.79 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 116.915 -0.13 . . . . 20.0 110.862 176.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -58.45 -48.9 79.23 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 120.818 0.342 . . . . 20.0 110.344 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -57.45 -42.25 82.11 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.916 -0.584 . . . . 20.0 110.959 177.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -68.56 -46.31 69.79 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 116.4 -0.364 . . . . 20.0 111.324 -176.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -60.7 -21.24 62.68 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 111.465 0.172 . . . . 20.0 111.465 -173.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.43 -25.01 58.97 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 120.536 0.208 . . . . 20.0 111.22 174.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 36.5 mt -75.9 -19.48 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 122.447 0.299 . . . . 20.0 111.202 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -96.74 -40.61 8.88 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.618 0.247 . . . . 20.0 111.051 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 81.0 p -81.94 -34.75 29.68 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.521 -0.309 . . . . 20.0 111.445 -175.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 36.5 m95 50.32 36.32 12.63 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.138 0.494 . . . . 20.0 110.856 -171.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -69.26 -28.93 66.75 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.108 -0.496 . . . . 20.0 110.922 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -129.16 122.85 30.66 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.351 -0.386 . . . . 20.0 110.349 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -93.43 150.5 20.41 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 116.216 -0.447 . . . . 20.0 110.653 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -124.03 79.92 57.98 Favored Pre-proline 0 CA--C 1.546 0.82 0 CA-C-N 116.12 -0.491 . . . . 20.0 110.219 175.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.44 153.66 31.05 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.947 2.432 . . . . 20.0 112.545 -178.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 5.1 t -79.74 170.44 16.52 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.073 -0.512 . . . . 20.0 110.936 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -106.48 -40.06 5.69 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 115.876 -0.602 . . . . 20.0 110.766 176.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -78.41 -21.88 48.62 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.33 -0.395 . . . . 20.0 111.44 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 23.0 p -140.33 173.36 11.58 Favored 'General case' 0 CA--C 1.556 1.197 0 CA-C-O 120.832 0.349 . . . . 20.0 110.779 176.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -92.05 11.32 25.7 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 116.457 -0.338 . . . . 20.0 111.836 -174.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -71.65 149.12 45.85 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 120.713 0.292 . . . . 20.0 111.093 -177.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 8.7 t -127.57 138.84 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 CA-C-N 116.346 -0.388 . . . . 20.0 111.025 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -124.66 160.11 55.07 Favored Pre-proline 0 N--CA 1.477 0.895 0 CA-C-N 115.898 -0.592 . . . . 20.0 110.715 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -89.18 0.15 6.11 Favored 'Trans proline' 0 CA--C 1.559 1.748 0 C-N-CA 123.082 2.521 . . . . 20.0 113.376 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 1.9 mp -134.06 143.19 47.9 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.766 0.317 . . . . 20.0 110.838 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.54 -40.28 80.75 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 116.239 -0.437 . . . . 20.0 111.148 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -57.13 -50.46 72.74 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 120.814 0.34 . . . . 20.0 110.687 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -60.58 -34.28 73.95 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.186 -0.461 . . . . 20.0 110.663 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -67.52 -47.48 69.81 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.487 -0.324 . . . . 20.0 110.886 175.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 49.4 m -61.03 -52.88 63.12 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 116.754 -0.203 . . . . 20.0 110.949 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -63.12 -34.26 77.22 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 116.776 -0.193 . . . . 20.0 111.01 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -65.43 -44.62 86.8 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 120.669 0.271 . . . . 20.0 110.838 174.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -66.31 -32.08 73.27 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 122.44 -0.163 . . . . 20.0 111.041 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 27.2 mt -62.31 -29.9 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-O 120.713 0.292 . . . . 20.0 110.619 172.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' HIS . . . . . 0.482 ' HA ' HD11 ' A' ' 560' ' ' ILE . 2.5 t-80 -76.76 -26.3 54.4 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 116.485 -0.325 . . . . 20.0 111.134 176.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -75.09 -40.37 60.11 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-O 120.577 0.227 . . . . 20.0 110.866 174.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 69.4 p -76.93 -36.09 56.85 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 116.578 -0.283 . . . . 20.0 111.099 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 85.47 16.94 63.17 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 121.355 -0.45 . . . . 20.0 112.181 -175.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -55.98 120.87 8.12 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 120.871 0.367 . . . . 20.0 111.147 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -71.28 124.81 25.37 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.339 -0.391 . . . . 20.0 110.195 172.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 34.0 mmm-85 -115.91 -55.9 2.37 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.235 -0.439 . . . . 20.0 111.214 -173.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -99.76 114.47 27.64 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.351 -0.386 . . . . 20.0 110.776 -172.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -105.51 130.37 53.59 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 120.837 0.351 . . . . 20.0 110.843 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 49.4 t -68.68 147.91 51.17 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.155 -0.475 . . . . 20.0 110.092 171.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 87.7 mt -102.86 -17.57 15.47 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 116.694 -0.23 . . . . 20.0 111.313 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.13 -48.47 23.54 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 116.647 -0.251 . . . . 20.0 111.095 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 31.8 p -119.91 -2.55 10.29 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 112.092 0.405 . . . . 20.0 112.092 -174.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 80.02 -1.51 79.41 Favored Glycine 0 CA--C 1.557 2.695 0 C-N-CA 120.993 -0.622 . . . . 20.0 113.56 172.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -68.98 140.24 55.04 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-N 117.228 0.514 . . . . 20.0 111.026 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 43.9 m -107.0 147.04 30.38 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 116.327 -0.397 . . . . 20.0 111.178 -177.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -131.98 156.58 45.96 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.926 -0.579 . . . . 20.0 110.729 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.482 HD11 ' HA ' ' A' ' 543' ' ' HIS . 5.9 tt -79.51 -23.94 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 116.242 -0.435 . . . . 20.0 111.651 -172.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -151.6 169.66 21.57 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-O 121.046 0.45 . . . . 20.0 111.156 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' TYR . . . . . 0.439 ' CE1' " H2'" ' E' ' 31' ' ' ' DG' . 24.8 t80 -66.95 -39.08 87.17 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 116.001 -0.545 . . . . 20.0 111.275 -175.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.6 mp0 -58.48 -44.92 89.55 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.622 -0.263 . . . . 20.0 111.155 -174.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -68.14 -42.95 79.38 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.598 -0.274 . . . . 20.0 111.018 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -40.37 92.03 Favored 'General case' 0 CA--C 1.554 1.096 0 CA-C-N 116.696 -0.229 . . . . 20.0 111.093 -176.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 34.8 t -63.78 -46.08 86.84 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.602 0.239 . . . . 20.0 110.618 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 16.5 t -58.15 -41.81 84.56 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 116.419 -0.355 . . . . 20.0 110.815 176.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -62.52 -47.86 82.08 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 116.412 -0.358 . . . . 20.0 111.353 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 57.2 mt -64.43 -39.67 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-O 120.596 0.236 . . . . 20.0 110.654 -177.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -67.08 -44.69 79.39 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.574 -0.284 . . . . 20.0 111.097 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 22.9 t -74.84 -39.39 61.64 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 111.709 0.263 . . . . 20.0 111.709 -175.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 77.1 t -92.19 -47.0 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 111.615 0.228 . . . . 20.0 111.615 -170.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -100.03 -3.61 31.7 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 116.603 -0.271 . . . . 20.0 111.573 -173.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 39.8 m 54.85 36.82 27.44 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 120.808 0.337 . . . . 20.0 111.287 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -128.81 158.24 39.25 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.267 -0.424 . . . . 20.0 110.844 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -104.41 112.27 65.36 Favored Pre-proline 0 CA--C 1.551 1.017 0 CA-C-N 116.121 -0.491 . . . . 20.0 110.536 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.83 -15.88 33.09 Favored 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 122.54 2.16 . . . . 20.0 112.711 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 33.5 t -81.04 -3.99 53.67 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 116.754 -0.203 . . . . 20.0 111.116 176.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -80.16 -141.3 2.59 Favored Glycine 0 CA--C 1.54 1.648 0 N-CA-C 112.281 -0.327 . . . . 20.0 112.281 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -116.0 29.7 7.81 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-O 120.846 0.355 . . . . 20.0 110.995 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 27.1 p -98.19 -41.18 8.02 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.408 -0.36 . . . . 20.0 111.187 -178.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 59.39 71.68 0.57 Allowed 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.22 0.533 . . . . 20.0 110.714 -176.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 9.2 mt -98.8 16.32 22.62 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 115.716 -0.674 . . . . 20.0 111.547 -173.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -147.82 162.27 39.58 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.963 0.411 . . . . 20.0 111.221 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -140.18 138.68 35.35 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.784 -0.644 . . . . 20.0 110.308 176.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -103.07 117.36 34.39 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.429 -0.35 . . . . 20.0 110.57 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -92.05 160.63 35.24 Favored Pre-proline 0 CA--C 1.553 1.077 0 CA-C-N 116.178 -0.464 . . . . 20.0 110.675 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.49 161.44 43.38 Favored 'Trans proline' 0 CA--C 1.544 1.017 0 C-N-CA 122.713 2.275 . . . . 20.0 112.636 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 42.1 t -100.38 130.23 46.45 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.111 -0.495 . . . . 20.0 110.333 173.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -123.72 -14.31 7.27 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 116.433 -0.349 . . . . 20.0 111.445 -177.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 37.4 m -69.97 -23.72 63.22 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 116.617 -0.265 . . . . 20.0 111.46 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.9 pp -140.26 164.94 28.73 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-O 120.923 0.392 . . . . 20.0 110.868 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -82.79 117.35 22.62 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 116.037 -0.529 . . . . 20.0 111.561 -170.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 33.3 pt -143.95 166.55 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 CA-C-N 115.781 -0.645 . . . . 20.0 110.25 173.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -71.22 138.4 49.45 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 110.007 -0.368 . . . . 20.0 110.007 171.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -111.16 96.33 6.07 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.35 -0.386 . . . . 20.0 110.768 -172.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -51.87 142.03 16.23 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.889 -0.596 . . . . 20.0 110.906 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -61.96 -18.11 59.23 Favored 'General case' 0 CA--C 1.557 1.239 0 N-CA-C 111.679 0.251 . . . . 20.0 111.679 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -81.35 -18.78 44.43 Favored 'General case' 0 CA--C 1.554 1.119 0 CA-C-O 120.631 0.253 . . . . 20.0 111.205 176.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.01 -36.86 14.7 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.467 -0.333 . . . . 20.0 110.515 170.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.28 -3.77 55.88 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 116.121 -0.49 . . . . 20.0 111.862 -171.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -147.81 167.4 24.83 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 120.777 0.322 . . . . 20.0 110.738 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -51.14 140.87 15.41 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 116.177 -0.465 . . . . 20.0 111.206 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 N--CA 1.476 0.839 0 CA-C-N 115.95 -0.568 . . . . 20.0 110.998 -179.501 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.228 0 O5'-C5'-C4' 114.138 2.813 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.588 0 O4'-C4'-C3' 108.549 2.949 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.48 0 O5'-C5'-C4' 114.043 2.745 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.622 0 O4'-C4'-C3' 109.056 3.456 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.118 0 O5'-C5'-C4' 114.629 3.164 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.285 0 P-O3'-C3' 123.642 3.285 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.997 1 O4'-C4'-C3' 109.603 4.003 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 0 O4'-C4'-C3' 108.749 3.149 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.043 1 C3'-C2'-C1' 96.671 -4.307 . . . . 20.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.54 0 O5'-C5'-C4' 114.385 2.989 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.52 0 P-O3'-C3' 123.249 2.958 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.331 0 P-O3'-C3' 122.402 2.251 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.287 0 P-O3'-C3' 123.485 3.154 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.331 0 P-O3'-C3' 123.733 3.361 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.21 0 O4'-C4'-C3' 108.311 2.711 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.355 0 O4'-C4'-C3' 108.392 2.792 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . 0.411 " H1'" ' HE2' ' A' ' 477' ' ' LYS . . . . . . . . 0 C5'--C4' 1.538 3.382 0 P-O3'-C3' 123.276 2.98 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.673 0 O4'-C4'-C3' 108.465 2.865 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.32 0 P-O3'-C3' 122.567 2.389 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.586 0 C1'-O4'-C4' 106.145 -2.539 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.719 0 O4'-C4'-C3' 108.408 2.808 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.104 0 P-O3'-C3' 122.908 2.673 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.587 0 P-O3'-C3' 123.423 3.103 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.328 0 P-O3'-C3' 122.665 2.471 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.385 0 O4'-C4'-C3' 108.442 2.842 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.777 0 O5'-C5'-C4' 115.581 3.843 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.456 2 C3'-C2'-C1' 95.41 -5.207 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.795 0 O3'-P-O5' 98.987 -2.638 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.707 0 P-O3'-C3' 123.605 3.254 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.938 0 O5'-C5'-C4' 114.539 3.099 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 31' ' ' ' DG' . . . . . 0.439 " H2'" ' CE1' ' A' ' 562' ' ' TYR . . . . . . . . 0 C5'--C4' 1.54 3.592 0 C3'-C2'-C1' 106.822 2.944 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.985 1 O5'-C5'-C4' 116.23 4.307 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.069 0 O5'-C5'-C4' 114.777 3.269 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.584 0 P-O3'-C3' 123.329 3.024 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.598 0 O4'-C4'-C3' 108.396 2.796 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.516 0 O4'-C4'-C3' 108.555 2.955 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.562 0 O4'-C4'-C3' 108.561 2.961 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.258 0 P-O3'-C3' 122.842 2.618 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.904 0 CA-C-O 120.868 0.366 . . . . 20.0 110.911 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -152.01 134.12 15.06 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 116.206 -0.452 . . . . 20.0 110.528 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -147.36 79.95 1.5 Allowed 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 120.913 0.387 . . . . 20.0 111.057 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -66.61 104.96 1.39 Allowed 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 116.308 -0.405 . . . . 20.0 110.213 173.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 27.1 ttt -158.12 80.0 0.84 Allowed 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 120.919 0.39 . . . . 20.0 110.786 -177.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -148.94 49.97 0.98 Allowed 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 116.128 -0.487 . . . . 20.0 110.821 177.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 2.3 p -154.95 103.86 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 CA-C-N 116.223 -0.444 . . . . 20.0 110.639 177.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -162.17 59.86 0.24 Allowed 'General case' 0 N--CA 1.485 1.286 0 CA-C-N 116.028 -0.533 . . . . 20.0 110.436 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.18 79.94 1.32 Allowed 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 116.024 -0.535 . . . . 20.0 110.745 -176.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -150.42 27.43 0.75 Allowed 'General case' 0 CA--C 1.567 1.609 0 N-CA-C 108.687 -0.857 . . . . 20.0 108.687 170.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 33.7 p30 -129.23 14.91 6.19 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 115.043 -0.98 . . . . 20.0 112.558 -168.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -160.54 174.01 14.68 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 121.023 0.439 . . . . 20.0 111.782 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -138.62 162.05 35.59 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.486 -0.779 . . . . 20.0 110.095 171.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -102.78 120.75 41.14 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.451 -0.34 . . . . 20.0 110.744 -177.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.3 tp -117.07 116.33 27.12 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.004 -0.544 . . . . 20.0 110.158 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 33.7 mt -89.38 123.57 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 120.958 0.408 . . . . 20.0 110.606 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 45.2 t -138.51 129.51 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 115.755 -0.657 . . . . 20.0 110.096 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.03 36.62 19.16 Favored 'General case' 0 CA--C 1.564 1.498 0 CA-C-O 120.935 0.398 . . . . 20.0 111.208 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.68 0.84 85.73 Favored Glycine 0 CA--C 1.552 2.36 0 CA-C-N 116.5 -0.318 . . . . 20.0 112.911 177.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -107.66 134.77 50.17 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.513 0.325 . . . . 20.0 110.7 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 89.0 t -81.37 121.5 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 116.589 -0.278 . . . . 20.0 110.318 174.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -108.76 115.58 30.35 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.523 177.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -79.83 116.03 19.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.329 -0.396 . . . . 20.0 110.027 176.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 2.8 mt -109.26 128.41 65.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-N 116.379 -0.373 . . . . 20.0 110.968 -172.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 2.6 t -65.8 135.65 55.16 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.066 -0.515 . . . . 20.0 110.629 175.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 35.7 pt -69.4 -38.23 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 111.774 0.287 . . . . 20.0 111.774 -175.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 47.8 t -60.81 -64.8 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 N-CA-C 111.81 0.3 . . . . 20.0 111.81 -176.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 29.1 p -105.11 -3.81 22.63 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.33 0.493 . . . . 20.0 112.33 -169.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 59.45 36.29 23.08 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 122.593 0.357 . . . . 20.0 111.768 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -80.43 131.39 35.58 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 110.058 -0.349 . . . . 20.0 110.058 169.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 21.4 p -92.49 146.09 23.95 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.311 -0.404 . . . . 20.0 111.235 -176.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -137.53 138.08 39.27 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.972 -0.558 . . . . 20.0 110.923 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 52.8 t -80.08 -15.82 12.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-N 115.945 -0.571 . . . . 20.0 111.029 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 78.9 m -136.57 135.13 38.16 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.778 0.323 . . . . 20.0 110.871 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 30.3 mt -60.31 -36.21 77.37 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 116.345 -0.389 . . . . 20.0 110.971 177.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 14.2 p -54.11 -39.57 66.51 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 120.816 0.341 . . . . 20.0 110.875 175.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 5.4 t -69.39 -40.09 77.6 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.07 -0.514 . . . . 20.0 110.867 177.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.29 -45.35 93.63 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.326 -0.397 . . . . 20.0 111.114 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -58.31 -46.65 85.76 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 120.772 0.32 . . . . 20.0 110.271 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -55.73 -45.21 78.0 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.862 -0.608 . . . . 20.0 110.634 175.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -69.21 -48.68 61.37 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 116.222 -0.445 . . . . 20.0 111.425 -174.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -61.85 -21.0 64.29 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-O 120.505 0.193 . . . . 20.0 111.491 -171.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -23.02 62.94 Favored 'General case' 0 CA--C 1.561 1.399 0 CA-C-N 116.749 -0.205 . . . . 20.0 111.217 175.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 38.0 mt -76.54 -19.17 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-O 120.599 0.238 . . . . 20.0 110.95 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -97.85 -42.41 7.58 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.717 0.294 . . . . 20.0 110.985 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 89.3 p -78.57 -34.01 47.24 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.362 -0.381 . . . . 20.0 111.329 -176.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 61.5 m95 50.65 39.44 21.61 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 121.212 0.529 . . . . 20.0 110.521 -169.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.44 -30.24 70.55 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.802 -0.635 . . . . 20.0 111.006 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -133.53 122.8 24.11 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.269 -0.423 . . . . 20.0 110.454 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -92.94 143.53 26.16 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.287 -0.415 . . . . 20.0 110.421 174.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -122.41 79.93 45.9 Favored Pre-proline 0 CA--C 1.541 0.612 0 CA-C-N 116.16 -0.473 . . . . 20.0 110.471 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.84 148.95 46.97 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.623 2.215 . . . . 20.0 112.42 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 24.5 t -73.61 170.48 15.13 Favored 'General case' 0 CA--C 1.557 1.235 0 CA-C-N 115.876 -0.602 . . . . 20.0 110.42 173.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -110.43 -39.96 4.78 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 116.205 -0.452 . . . . 20.0 110.841 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -79.16 -20.83 47.52 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 116.299 -0.409 . . . . 20.0 111.348 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.8 p -139.66 170.49 15.79 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 120.666 0.27 . . . . 20.0 110.594 172.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -94.36 16.78 14.24 Favored 'General case' 0 CA--C 1.564 1.486 0 N-CA-C 112.268 0.47 . . . . 20.0 112.268 -169.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -78.82 161.73 26.58 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 120.772 0.32 . . . . 20.0 110.956 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 15.2 t -130.69 139.07 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 CA-C-N 116.168 -0.469 . . . . 20.0 111.124 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -109.98 152.19 42.89 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 115.928 -0.578 . . . . 20.0 110.673 175.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -83.62 -3.32 10.63 Favored 'Trans proline' 0 CA--C 1.557 1.64 0 C-N-CA 122.838 2.358 . . . . 20.0 112.776 175.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.1 mp -134.19 146.06 49.8 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.586 0.355 . . . . 20.0 110.313 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -67.58 -49.58 62.47 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.628 -0.26 . . . . 20.0 111.168 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -56.94 -35.68 69.36 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.67 -0.241 . . . . 20.0 111.098 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -63.44 -40.46 97.21 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.734 -0.212 . . . . 20.0 110.716 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.04 -39.71 93.25 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.648 0.261 . . . . 20.0 110.318 175.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 24.3 m -67.17 -55.79 12.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.436 -0.347 . . . . 20.0 110.892 -175.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -61.18 -34.66 75.41 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.639 -0.255 . . . . 20.0 110.839 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -66.01 -46.85 76.44 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-O 120.63 0.252 . . . . 20.0 111.049 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -65.65 -31.72 72.9 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 122.391 -0.193 . . . . 20.0 111.056 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 9.5 mt -59.6 -33.92 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-O 120.985 0.422 . . . . 20.0 110.397 171.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -29.48 67.37 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.17 -0.468 . . . . 20.0 110.881 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -78.25 -42.65 30.46 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 116.665 -0.243 . . . . 20.0 111.141 177.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 82.4 p -76.0 -18.22 59.37 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 116.825 -0.17 . . . . 20.0 111.311 -177.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 76.64 15.91 81.18 Favored Glycine 0 CA--C 1.543 1.794 0 C-N-CA 121.442 -0.409 . . . . 20.0 112.346 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.46 109.69 1.24 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 120.817 0.341 . . . . 20.0 110.981 -176.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 64.2 mtm180 -80.1 127.36 32.22 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.868 0.366 . . . . 20.0 110.145 175.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -107.72 -51.45 2.9 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.909 -0.587 . . . . 20.0 111.581 -169.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -97.68 110.43 22.99 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.365 -0.379 . . . . 20.0 110.871 -171.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -93.04 123.69 36.48 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.351 -0.386 . . . . 20.0 110.645 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' CYS . . . . . 0.878 ' HG ' 'ZN ' ' A' ' 703' ' ' ' ZN' . 35.3 t -77.29 100.01 5.72 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.283 -0.417 . . . . 20.0 110.535 177.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 75.2 mt -61.83 -15.06 38.95 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 111.887 0.329 . . . . 20.0 111.887 -175.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.07 -50.07 17.63 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-O 120.352 0.12 . . . . 20.0 111.317 -177.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.7 p -120.07 -5.28 10.02 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 111.88 0.326 . . . . 20.0 111.88 -174.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 91.51 -7.87 79.48 Favored Glycine 0 CA--C 1.551 2.33 0 C-N-CA 121.536 -0.364 . . . . 20.0 113.274 174.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -74.61 133.48 42.17 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 117.293 0.546 . . . . 20.0 110.86 -175.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 49.8 m -105.96 150.15 25.96 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.435 -0.348 . . . . 20.0 110.969 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -130.2 154.76 47.21 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.151 -0.477 . . . . 20.0 110.882 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.5 tt -76.21 -23.04 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 116.196 -0.456 . . . . 20.0 111.58 -173.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 29.5 p30 -153.26 170.95 19.34 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.83 0.348 . . . . 20.0 110.901 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' TYR . . . . . 0.427 ' CD1' ' HE3' ' A' ' 565' ' ' MET . 1.1 t80 -71.85 -34.34 69.18 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.273 -0.421 . . . . 20.0 111.063 -175.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.7 mp0 -55.68 -44.51 77.38 Favored 'General case' 0 CA--C 1.554 1.116 0 O-C-N 122.205 -0.309 . . . . 20.0 110.893 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -69.44 -46.58 66.39 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.623 -0.262 . . . . 20.0 111.176 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . 0.427 ' HE3' ' CD1' ' A' ' 562' ' ' TYR . 15.2 tmm? -61.93 -46.84 87.56 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 120.673 0.273 . . . . 20.0 111.036 -177.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 31.9 t -59.34 -46.66 88.01 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.488 -0.324 . . . . 20.0 110.741 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 23.0 t -59.83 -43.13 94.72 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.46 -0.336 . . . . 20.0 110.889 177.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -64.83 -48.16 75.36 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 116.399 -0.364 . . . . 20.0 111.339 -177.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 17.2 mt -66.79 -35.08 73.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-O 120.565 0.222 . . . . 20.0 110.782 -177.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -68.19 -42.55 79.74 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.603 -0.271 . . . . 20.0 111.026 176.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 36.8 m -78.59 -35.53 45.65 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.563 -0.29 . . . . 20.0 111.781 -173.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 71.7 t -99.01 -45.91 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 CA-C-O 120.534 0.207 . . . . 20.0 111.486 -170.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -100.16 -4.85 28.76 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 116.676 -0.238 . . . . 20.0 111.448 -174.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 40.0 m 55.78 38.69 30.38 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.678 0.391 . . . . 20.0 111.351 177.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -134.55 161.85 33.92 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.24 -0.436 . . . . 20.0 110.983 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -110.32 112.24 57.21 Favored Pre-proline 0 CA--C 1.553 1.069 0 CA-C-N 116.141 -0.481 . . . . 20.0 110.586 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -70.81 -16.37 33.12 Favored 'Trans proline' 0 CA--C 1.551 1.34 0 C-N-CA 122.449 2.1 . . . . 20.0 112.79 -178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 47.3 t -79.37 -5.46 54.64 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-O 120.7 0.286 . . . . 20.0 110.97 174.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -77.83 -139.13 1.26 Allowed Glycine 0 CA--C 1.543 1.787 0 CA-C-N 116.488 -0.324 . . . . 20.0 112.306 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -118.45 29.76 7.58 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 120.748 0.309 . . . . 20.0 111.28 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 32.8 p -99.63 -42.3 6.95 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 116.476 -0.329 . . . . 20.0 111.116 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 63.1 mttp 59.01 67.98 0.86 Allowed 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.167 0.508 . . . . 20.0 110.708 -175.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 4.5 mt -93.18 16.85 12.08 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 115.746 -0.661 . . . . 20.0 111.435 -176.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -146.95 161.89 39.85 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.993 0.425 . . . . 20.0 111.204 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -130.24 129.37 43.24 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.742 -0.663 . . . . 20.0 110.172 175.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -97.1 106.53 18.89 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 120.889 0.376 . . . . 20.0 110.492 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -82.24 155.62 69.43 Favored Pre-proline 0 CA--C 1.548 0.883 0 CA-C-N 116.108 -0.496 . . . . 20.0 110.67 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -66.24 160.87 43.01 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.441 2.094 . . . . 20.0 112.369 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 46.4 t -98.54 131.66 44.59 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.997 -0.547 . . . . 20.0 110.342 173.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.95 -14.82 3.06 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 116.514 -0.312 . . . . 20.0 111.568 -176.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 30.0 p -67.42 -21.34 65.57 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 122.19 0.196 . . . . 20.0 111.498 -177.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.5 pp -138.28 166.03 25.23 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 120.836 0.35 . . . . 20.0 110.822 177.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -88.74 107.68 19.08 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 116.216 -0.447 . . . . 20.0 111.569 -170.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 30.1 pt -145.35 170.99 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 CA-C-N 115.845 -0.616 . . . . 20.0 110.033 170.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . 0.47 HH22 " H1'" ' E' ' 27' ' ' ' DG' . 13.4 ptt180 -76.1 143.66 41.15 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 109.969 -0.382 . . . . 20.0 109.969 171.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -129.6 122.86 29.94 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.945 0.402 . . . . 20.0 110.557 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -67.24 156.36 36.51 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.861 -0.609 . . . . 20.0 111.138 -176.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.75 -12.15 61.41 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-N 116.245 -0.434 . . . . 20.0 111.785 -174.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -80.08 -16.59 54.68 Favored 'General case' 0 CA--C 1.555 1.154 0 O-C-N 122.498 -0.126 . . . . 20.0 111.335 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.07 -39.87 28.8 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 110.292 -0.262 . . . . 20.0 110.292 169.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 23.0 t -55.36 -70.01 0.12 Allowed 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.957 -0.565 . . . . 20.0 110.853 -175.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -156.79 137.81 13.54 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 120.742 0.306 . . . . 20.0 110.752 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.84 161.93 11.9 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 121.056 0.455 . . . . 20.0 111.304 -177.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 89.2 p . . . . . 0 N--CA 1.478 0.928 0 CA-C-N 115.925 -0.58 . . . . 20.0 110.988 178.918 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.654 0 O4'-C4'-C3' 107.733 2.133 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.721 0 O4'-C4'-C3' 108.757 3.157 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.535 0 O5'-C5'-C4' 113.971 2.694 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.54 0 O5'-C5'-C4' 115.16 3.543 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.356 0 P-O3'-C3' 123.352 3.044 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.377 0 O5'-C5'-C4' 114.618 3.156 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.637 4.374 0 O5'-C5'-C4' 115.717 3.941 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.024 0 P-O3'-C3' 122.996 2.746 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.219 0 C1'-O4'-C4' 104.329 -3.836 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.848 0 C5'-C4'-C3' 110.085 -3.077 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.23 0 P-O3'-C3' 123.425 3.104 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.07 0 C1'-O4'-C4' 106.285 -2.439 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.092 0 O4'-C4'-C3' 108.45 2.85 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.118 0 O4'-C4'-C3' 108.526 2.926 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.275 0 O4'-C4'-C3' 108.439 2.839 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.198 0 O4'-C4'-C3' 108.366 2.766 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.032 0 O4'-C4'-C3' 108.542 2.942 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.978 0 O4'-C4'-C3' 108.486 2.886 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.102 0 P-O3'-C3' 123.143 2.869 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.556 0 C1'-O4'-C4' 105.783 -2.798 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.638 0 O5'-C5'-C4' 113.988 2.706 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.344 0 O5'-C5'-C4' 113.811 2.579 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.734 0 O4'-C4'-C3' 108.702 3.102 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.547 0 O4'-C4'-C3' 108.678 3.078 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.759 0 O5'-C5'-C4' 115.67 3.907 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.977 0 C1'-O4'-C4' 104.611 -3.635 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 27' ' ' ' DG' . . . . . 0.47 " H1'" HH22 ' A' ' 595' ' ' ARG . . . . . . . . 0 P--O5' 1.626 3.277 2 C3'-C2'-C1' 94.781 -5.656 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.586 0 O3'-P-O5' 98.264 -3.019 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.744 0 O5'-C5'-C4' 114.931 3.379 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.639 4.633 0 O5'-C5'-C4' 114.617 3.155 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.221 1 C1'-O4'-C4' 103.61 -4.35 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.644 2 P-O3'-C3' 125.616 4.93 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.959 0 O5'-C5'-C4' 115.281 3.629 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.587 0 P-O3'-C3' 123.279 2.983 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.447 0 P-O3'-C3' 123.083 2.819 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.593 0 O4'-C4'-C3' 108.602 3.002 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.505 0 O4'-C4'-C3' 108.52 2.92 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.187 0 P-O3'-C3' 122.967 2.722 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 703' ' ' ' ZN' . . . . . 0.878 'ZN ' ' HG ' ' A' ' 552' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.837 0 CA-C-O 120.914 0.388 . . . . 20.0 110.702 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -75.19 146.55 41.15 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 116.293 -0.412 . . . . 20.0 110.704 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -80.17 164.6 23.17 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 116.24 -0.437 . . . . 20.0 110.987 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 64.1 ttp85 -70.6 101.24 1.99 Allowed 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 116.086 -0.506 . . . . 20.0 110.645 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 41.4 tpp -160.03 156.71 27.43 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 116.065 -0.516 . . . . 20.0 110.417 -177.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -117.39 49.55 1.2 Allowed 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 120.901 0.381 . . . . 20.0 110.907 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 2.0 p -171.37 126.81 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 116.107 -0.497 . . . . 20.0 110.027 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -170.78 137.25 1.26 Allowed 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 116.51 -0.314 . . . . 20.0 110.275 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -158.61 79.47 0.8 Allowed 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 121.153 0.501 . . . . 20.0 111.405 173.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -108.47 -6.5 16.11 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 115.642 -0.708 . . . . 20.0 110.974 172.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 18.4 p30 -112.54 5.66 18.05 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 116.419 -0.355 . . . . 20.0 111.393 -176.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 483' ' ' HIS . . . . . 0.481 ' HB3' HD21 ' A' ' 509' ' ' LEU . 44.9 p-80 -161.16 174.93 12.94 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 120.935 0.398 . . . . 20.0 111.199 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -135.15 159.03 42.81 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.631 -0.713 . . . . 20.0 110.027 169.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 45.6 mp0 -104.61 129.19 52.75 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.968 0.413 . . . . 20.0 110.841 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 13.8 tp -126.34 111.87 15.01 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.896 -0.593 . . . . 20.0 110.163 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 27.7 mt -84.11 125.4 40.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 120.93 0.395 . . . . 20.0 110.748 -176.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 45.6 t -138.32 126.81 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 115.829 -0.623 . . . . 20.0 110.202 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 39.9 t0 50.64 38.04 17.98 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 121.01 0.433 . . . . 20.0 111.162 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 88.08 -21.88 21.69 Favored Glycine 0 CA--C 1.547 2.091 0 CA-C-N 116.18 -0.464 . . . . 20.0 113.054 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -89.87 138.56 31.39 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 116.905 0.353 . . . . 20.0 111.009 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 53.2 t -80.01 125.01 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.151 171.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -108.16 111.69 23.83 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.895 0.379 . . . . 20.0 110.393 175.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -79.87 122.12 26.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.172 -0.467 . . . . 20.0 110.304 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.9 mt -114.71 129.47 70.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 120.858 0.361 . . . . 20.0 110.89 -172.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 5.3 t -65.84 137.98 57.58 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.135 -0.484 . . . . 20.0 110.595 176.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 27.1 pt -70.56 -38.93 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 111.739 0.274 . . . . 20.0 111.739 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 44.7 t -60.92 -64.39 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-O 120.649 0.262 . . . . 20.0 111.665 -176.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 29.2 p -105.13 -5.67 20.58 Favored 'General case' 0 CA--C 1.557 1.227 0 N-CA-C 112.412 0.523 . . . . 20.0 112.412 -169.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 59.96 38.14 21.05 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 122.693 0.397 . . . . 20.0 111.78 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -81.22 131.45 35.3 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 109.99 -0.374 . . . . 20.0 109.99 169.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 29.9 p -96.1 143.31 27.35 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 120.982 0.42 . . . . 20.0 111.253 -175.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -133.49 135.41 44.44 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.65 -0.705 . . . . 20.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 57.2 t -75.28 -17.22 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 CA-C-N 116.016 -0.538 . . . . 20.0 110.949 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 71.2 m -135.39 136.68 41.64 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.427 -0.352 . . . . 20.0 110.888 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 14.7 mt -55.49 -35.7 65.85 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 116.349 -0.387 . . . . 20.0 110.793 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 32.7 p -52.02 -45.31 64.56 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.534 -0.303 . . . . 20.0 110.978 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 19.2 m -66.26 -38.91 88.97 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.534 -0.303 . . . . 20.0 111.014 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.481 HD21 ' HB3' ' A' ' 483' ' ' HIS . 6.1 tp -63.2 -47.59 81.91 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 116.499 -0.319 . . . . 20.0 110.962 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -46.21 89.45 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 120.774 0.321 . . . . 20.0 110.257 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -51.38 -47.46 62.85 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.85 -0.614 . . . . 20.0 110.839 172.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -71.14 -45.01 64.4 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 116.24 -0.436 . . . . 20.0 111.519 -173.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -60.95 -24.7 66.28 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 120.549 0.214 . . . . 20.0 111.287 -173.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -22.0 60.3 Favored 'General case' 0 CA--C 1.562 1.41 0 CA-C-N 116.679 -0.237 . . . . 20.0 111.306 175.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 32.0 mt -77.72 -19.56 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 122.352 0.261 . . . . 20.0 111.13 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -96.11 -44.27 7.38 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.623 0.249 . . . . 20.0 110.88 177.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 84.5 p -78.59 -34.19 46.98 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.506 -0.316 . . . . 20.0 111.345 -176.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 52.6 m95 51.9 34.69 14.01 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-O 121.107 0.479 . . . . 20.0 110.915 -173.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -69.52 -31.32 69.47 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 116.033 -0.53 . . . . 20.0 111.318 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -123.24 133.16 54.22 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 116.508 -0.314 . . . . 20.0 110.547 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -100.75 145.36 28.6 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.067 -0.515 . . . . 20.0 110.833 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -126.94 79.87 72.1 Favored Pre-proline 0 CA--C 1.55 0.967 0 CA-C-N 115.971 -0.558 . . . . 20.0 110.428 173.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.62 151.18 32.2 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.704 2.269 . . . . 20.0 112.533 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 43.9 t -86.64 142.64 28.09 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 116.079 -0.51 . . . . 20.0 110.772 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.14 -34.91 64.03 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 116.583 -0.281 . . . . 20.0 111.143 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -84.91 -26.6 27.16 Favored 'General case' 0 CA--C 1.557 1.219 0 CA-C-N 116.312 -0.403 . . . . 20.0 111.926 -171.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.9 p -140.03 160.41 39.98 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 120.862 0.363 . . . . 20.0 110.871 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -85.8 32.25 0.6 Allowed 'General case' 0 CA--C 1.563 1.443 0 CA-C-N 116.402 -0.363 . . . . 20.0 111.94 -170.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -94.39 163.57 13.37 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 120.829 0.347 . . . . 20.0 111.004 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 10.6 t -133.39 137.79 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 CA-C-N 115.99 -0.55 . . . . 20.0 110.964 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -106.97 152.11 40.86 Favored Pre-proline 0 CA--C 1.543 0.69 0 CA-C-N 115.977 -0.556 . . . . 20.0 110.754 176.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -83.03 -5.52 11.3 Favored 'Trans proline' 0 CA--C 1.551 1.348 0 C-N-CA 122.885 2.39 . . . . 20.0 112.629 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.4 mp -132.96 144.79 50.36 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.559 0.344 . . . . 20.0 110.506 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.29 91.45 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 116.312 -0.404 . . . . 20.0 111.057 176.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -61.92 -47.68 83.82 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.551 -0.295 . . . . 20.0 110.824 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -60.49 -35.56 76.22 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.457 -0.338 . . . . 20.0 110.766 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . 0.46 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -58.4 -59.28 5.6 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.288 -0.414 . . . . 20.0 110.342 171.32 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . 0.46 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 96.0 m -57.1 -51.19 70.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.129 -0.487 . . . . 20.0 111.121 -172.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -61.21 -37.44 83.02 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.699 -0.228 . . . . 20.0 111.022 -177.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -68.92 -43.17 75.68 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.542 0.21 . . . . 20.0 110.928 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -65.46 -31.62 72.8 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 116.795 -0.184 . . . . 20.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 41.7 mt -62.1 -43.67 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 110.326 -0.25 . . . . 20.0 110.326 171.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -62.25 -32.71 73.44 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 116.502 -0.317 . . . . 20.0 110.906 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -72.26 -42.76 65.24 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 120.725 0.298 . . . . 20.0 110.936 173.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 10.6 m -76.28 -24.5 54.45 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 116.247 -0.433 . . . . 20.0 111.313 -173.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 84.74 8.92 82.07 Favored Glycine 0 CA--C 1.546 1.975 0 C-N-CA 121.62 -0.324 . . . . 20.0 112.923 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.79 121.65 14.52 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 117.007 0.403 . . . . 20.0 111.278 -176.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -83.09 137.14 34.22 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 116.269 -0.423 . . . . 20.0 110.214 170.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 9.9 ptm85 -129.76 -36.14 1.63 Allowed 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 116.43 -0.35 . . . . 20.0 111.53 -176.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -94.96 108.92 20.98 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 110.491 -0.189 . . . . 20.0 110.491 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -103.63 129.47 50.93 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.768 0.318 . . . . 20.0 110.757 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 42.0 t -68.11 146.31 53.58 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.152 -0.476 . . . . 20.0 110.262 171.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 87.6 mt -102.53 -17.63 15.66 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 120.544 0.211 . . . . 20.0 111.367 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.05 -48.73 22.5 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-O 120.524 0.202 . . . . 20.0 111.128 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.4 p -120.06 -1.26 10.4 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 111.935 0.346 . . . . 20.0 111.935 -176.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 79.94 0.65 85.91 Favored Glycine 0 CA--C 1.554 2.523 0 C-N-CA 121.126 -0.559 . . . . 20.0 113.453 172.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -70.14 139.08 52.38 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 117.351 0.576 . . . . 20.0 111.008 -177.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 21.4 m -105.16 144.6 31.73 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 116.321 -0.4 . . . . 20.0 111.094 -177.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -131.47 158.45 40.81 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 116.201 -0.454 . . . . 20.0 111.072 -175.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 5.7 tt -84.86 -26.28 6.82 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 CA-C-N 116.094 -0.503 . . . . 20.0 111.693 -172.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 41.2 p30 -153.82 172.78 16.81 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-O 120.864 0.364 . . . . 20.0 111.283 -178.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -67.82 -35.88 79.4 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.103 -0.499 . . . . 20.0 111.195 -175.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.2 mp0 -61.72 -48.52 80.38 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 116.515 -0.312 . . . . 20.0 111.005 -174.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -68.14 -44.33 76.29 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.633 -0.258 . . . . 20.0 110.868 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -56.81 -50.23 72.98 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 120.679 0.276 . . . . 20.0 111.072 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 36.6 t -58.73 -46.49 87.26 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.604 -0.271 . . . . 20.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 23.0 t -58.41 -41.19 84.39 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 120.757 0.313 . . . . 20.0 111.105 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -63.32 -50.6 69.37 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.542 -0.299 . . . . 20.0 111.159 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 63.5 mt -64.75 -37.66 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-O 120.534 0.207 . . . . 20.0 110.598 -176.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -64.71 -46.68 81.28 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.681 -0.236 . . . . 20.0 111.163 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 23.7 p -77.48 -33.08 54.64 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 111.711 0.263 . . . . 20.0 111.711 -174.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 69.2 t -95.18 -50.46 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 111.457 0.169 . . . . 20.0 111.457 -173.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -100.08 -1.19 37.47 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-N 116.656 -0.247 . . . . 20.0 111.658 -172.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 36.4 m 56.89 35.83 26.9 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 122.606 0.362 . . . . 20.0 111.285 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -139.83 160.85 38.96 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.283 -0.417 . . . . 20.0 110.513 177.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -113.59 137.91 22.38 Favored Pre-proline 0 CA--C 1.551 1.017 0 CA-C-N 116.415 -0.357 . . . . 20.0 110.389 177.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -66.5 -18.86 54.96 Favored 'Trans proline' 0 CA--C 1.549 1.27 0 C-N-CA 122.586 2.191 . . . . 20.0 112.515 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 8.5 t -73.41 -10.67 59.98 Favored 'General case' 0 CA--C 1.556 1.211 0 CA-C-N 116.358 -0.383 . . . . 20.0 111.26 177.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -76.57 -162.63 14.59 Favored Glycine 0 CA--C 1.543 1.826 0 C-N-CA 121.655 -0.307 . . . . 20.0 112.437 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -106.55 29.79 6.6 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 120.758 0.313 . . . . 20.0 111.326 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 68.4 m -97.61 -36.0 10.42 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 116.484 -0.325 . . . . 20.0 111.115 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt 58.3 73.79 0.46 Allowed 'General case' 0 N--CA 1.5 2.049 0 CA-C-O 121.199 0.523 . . . . 20.0 110.677 -175.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 2.4 mt -101.48 17.77 21.9 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 115.737 -0.665 . . . . 20.0 111.608 -170.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -148.75 164.19 35.11 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 120.95 0.405 . . . . 20.0 111.332 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -139.42 146.05 39.65 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.84 -0.618 . . . . 20.0 110.52 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -103.48 124.57 49.0 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.892 0.377 . . . . 20.0 110.817 -177.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -99.49 151.0 37.28 Favored Pre-proline 0 CA--C 1.556 1.21 0 CA-C-N 116.071 -0.513 . . . . 20.0 110.552 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.5 146.09 65.41 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.793 2.329 . . . . 20.0 113.023 -175.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 43.0 t -85.25 119.37 25.56 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.981 -0.554 . . . . 20.0 110.042 170.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -134.17 -10.57 2.58 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 112.016 0.376 . . . . 20.0 112.016 -171.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 24.7 m -74.14 -19.08 60.69 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 111.597 0.221 . . . . 20.0 111.597 -174.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.3 pp -139.85 167.25 22.55 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 120.769 0.319 . . . . 20.0 110.809 176.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -78.41 113.42 16.39 Favored 'General case' 0 CA--C 1.556 1.207 0 CA-C-N 116.112 -0.495 . . . . 20.0 111.624 -170.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 23.0 pt -144.09 168.58 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 CA-C-N 115.861 -0.608 . . . . 20.0 110.204 173.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . 0.468 HH22 " H1'" ' E' ' 27' ' ' ' DG' . 19.4 ptt180 -69.25 141.56 54.38 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 110.056 -0.349 . . . . 20.0 110.056 170.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -112.0 91.5 3.68 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.007 0.432 . . . . 20.0 110.669 -173.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -56.22 142.74 36.19 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.83 -0.623 . . . . 20.0 110.993 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -65.51 -15.89 63.13 Favored 'General case' 0 CA--C 1.559 1.294 0 CA-C-N 116.443 -0.344 . . . . 20.0 111.902 -175.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -80.04 -19.04 48.54 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 122.398 -0.189 . . . . 20.0 111.103 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.14 -32.62 16.58 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 120.766 0.317 . . . . 20.0 110.632 169.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 1.5 t -73.58 -3.59 28.83 Favored 'General case' 0 CA--C 1.557 1.243 0 CA-C-N 116.252 -0.431 . . . . 20.0 111.717 -175.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -128.67 134.16 48.43 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 120.795 0.331 . . . . 20.0 110.601 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -139.12 142.55 38.07 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 116.222 -0.444 . . . . 20.0 111.074 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 N--CA 1.478 0.951 0 CA-C-N 116.07 -0.514 . . . . 20.0 110.912 179.007 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.155 0 O5'-C5'-C4' 114.139 2.814 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.679 0 O4'-C4'-C3' 108.549 2.949 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.477 0 O5'-C5'-C4' 113.997 2.712 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.568 0 O5'-C5'-C4' 115.255 3.611 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.13 0 P-O3'-C3' 123.594 3.245 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.841 0 O4'-C4'-C3' 108.617 3.017 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.687 0 O4'-C4'-C3' 109.289 3.689 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.825 0 O4'-C4'-C3' 108.853 3.253 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.519 0 C3'-C2'-C1' 98.078 -3.301 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.798 0 C5'-C4'-C3' 110.512 -2.792 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.511 0 P-O3'-C3' 123.896 3.496 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.384 0 P-O3'-C3' 123.117 2.847 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.358 0 P-O3'-C3' 123.001 2.751 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.653 0 P-O3'-C3' 123.914 3.512 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.415 0 P-O3'-C3' 123.099 2.833 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.606 0 O5'-C5'-C4' 114.412 3.008 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.425 0 O4'-C4'-C3' 108.864 3.264 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.556 0 O4'-C4'-C3' 109.025 3.425 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.339 0 C1'-O4'-C4' 105.94 -2.686 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.659 0 C1'-O4'-C4' 105.893 -2.719 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.729 0 O5'-C5'-C4' 113.962 2.687 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.449 0 O4'-C4'-C3' 108.285 2.685 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.833 0 P-O3'-C3' 123.354 3.045 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.983 0 O5'-C5'-C4' 114.26 2.9 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.257 0 O5'-C5'-C4' 114.39 2.993 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.437 0 O5'-C5'-C4' 115.058 3.47 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 27' ' ' ' DG' . . . . . 0.468 " H1'" HH22 ' A' ' 595' ' ' ARG . . . . . . . . 0 C5'--C4' 1.542 3.904 1 C3'-C2'-C1' 95.291 -5.292 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.757 0 P-O3'-C3' 122.918 2.682 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.244 0 C3'-C2'-C1' 105.74 2.171 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.036 1 O5'-C5'-C4' 117.857 5.469 . . . . 20.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.032 0 C1'-O4'-C4' 105.806 -2.781 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.453 0 O5'-C5'-C4' 113.785 2.561 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.732 0 O5'-C5'-C4' 114.623 3.159 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.344 0 P-O3'-C3' 123.116 2.847 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.391 0 P-O3'-C3' 123.132 2.86 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.793 0 O4'-C4'-C3' 108.711 3.111 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.697 0 O4'-C4'-C3' 108.641 3.041 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.154 0 P-O3'-C3' 122.879 2.649 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.775 0 CA-C-O 120.852 0.358 . . . . 20.0 110.834 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -77.82 151.45 33.96 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 116.234 -0.439 . . . . 20.0 110.814 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -148.76 146.49 28.08 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 116.203 -0.453 . . . . 20.0 110.627 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 9.4 ptp85 -149.71 151.59 33.91 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 116.263 -0.426 . . . . 20.0 110.847 178.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -143.39 142.47 31.26 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 116.317 -0.401 . . . . 20.0 110.931 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -47.0 117.56 1.74 Allowed 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 116.202 -0.454 . . . . 20.0 111.521 -176.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 8.5 p -144.18 151.79 15.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 CA-C-N 115.63 -0.714 . . . . 20.0 110.542 -178.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -111.49 159.0 18.5 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 116.443 -0.344 . . . . 20.0 110.898 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -139.42 166.05 25.6 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 116.256 -0.429 . . . . 20.0 110.993 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -80.03 60.03 3.44 Favored 'General case' 0 CA--C 1.557 1.241 0 CA-C-N 116.178 -0.465 . . . . 20.0 110.691 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . 0.426 ' CG ' HH12 ' A' ' 510' ' ' ARG . 10.9 p30 -109.79 0.57 18.87 Favored 'General case' 0 CA--C 1.556 1.196 0 CA-C-N 116.066 -0.515 . . . . 20.0 111.084 -176.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -160.21 173.82 15.16 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.51 0.324 . . . . 20.0 110.658 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -133.87 153.92 51.41 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.143 -0.48 . . . . 20.0 110.321 169.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -108.21 141.7 39.56 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.072 0.463 . . . . 20.0 110.999 -174.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 17.3 tp -137.04 115.46 11.85 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.719 -0.673 . . . . 20.0 110.321 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 33.2 mt -85.74 121.84 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-O 120.92 0.39 . . . . 20.0 110.542 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 42.3 t -137.0 129.04 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 115.817 -0.629 . . . . 20.0 110.12 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.74 36.13 20.36 Favored 'General case' 0 CA--C 1.565 1.538 0 CA-C-O 120.954 0.406 . . . . 20.0 111.227 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 78.89 5.13 88.79 Favored Glycine 0 CA--C 1.549 2.188 0 CA-C-N 116.375 -0.375 . . . . 20.0 112.862 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -113.19 137.27 51.72 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.511 0.325 . . . . 20.0 110.68 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 81.0 t -79.98 120.33 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 N-CA-C 110.249 -0.278 . . . . 20.0 110.249 174.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -101.88 151.42 22.11 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.218 172.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -116.51 127.22 54.34 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.215 -0.448 . . . . 20.0 109.978 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.3 mt -120.69 131.65 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.02 0.438 . . . . 20.0 111.206 -169.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 11.6 t -68.52 136.52 53.27 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.897 -0.592 . . . . 20.0 110.762 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 16.8 pt -68.62 -40.04 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 116.678 -0.237 . . . . 20.0 111.487 -176.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 49.1 t -60.89 -65.42 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 N-CA-C 111.929 0.344 . . . . 20.0 111.929 -176.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.7 p -105.11 -4.57 21.71 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 112.541 0.571 . . . . 20.0 112.541 -169.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 62.7 mttp 60.77 35.28 19.61 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 122.629 0.372 . . . . 20.0 111.891 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' ARG . . . . . 0.424 HH21 " H3'" ' D' ' 8' ' ' ' DC' . 1.8 mtp180 -71.89 129.65 39.11 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 110.003 -0.369 . . . . 20.0 110.003 169.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 30.8 p -95.33 144.98 25.43 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 120.958 0.409 . . . . 20.0 111.179 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -140.23 144.34 36.46 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.854 -0.612 . . . . 20.0 111.128 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 82.1 t -82.04 -17.21 11.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-N 115.946 -0.57 . . . . 20.0 110.84 175.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 59.6 m -135.75 135.15 39.73 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 120.826 0.346 . . . . 20.0 111.186 -177.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.87 -33.26 68.51 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 116.295 -0.411 . . . . 20.0 110.841 175.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 24.0 p -52.62 -45.51 66.63 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 120.707 0.289 . . . . 20.0 110.899 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 18.3 m -66.63 -41.43 88.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.425 -0.352 . . . . 20.0 110.924 178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 6.3 tp -62.13 -47.06 86.26 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 116.43 -0.35 . . . . 20.0 111.013 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' ARG . . . . . 0.426 HH12 ' CG ' ' A' ' 482' ' ' ASP . 0.0 OUTLIER -63.63 -46.73 84.34 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 120.642 0.258 . . . . 20.0 110.679 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -56.0 -40.58 73.55 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 116.211 -0.45 . . . . 20.0 110.929 175.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -71.51 -45.15 63.21 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 116.471 -0.331 . . . . 20.0 111.426 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -59.74 -23.41 63.18 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 111.554 0.205 . . . . 20.0 111.554 -173.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.92 -26.4 62.16 Favored 'General case' 0 CA--C 1.562 1.442 0 C-N-CA 122.184 0.194 . . . . 20.0 110.989 175.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 35.1 mt -74.9 -20.15 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 122.482 0.313 . . . . 20.0 111.13 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -95.46 -44.76 7.39 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.641 0.258 . . . . 20.0 110.882 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 91.8 p -71.95 -37.06 70.04 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.437 -0.347 . . . . 20.0 111.324 -176.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 73.5 m95 50.35 31.57 5.47 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 121.195 0.522 . . . . 20.0 110.478 -169.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.3 -31.73 64.2 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.814 -0.63 . . . . 20.0 110.65 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -126.9 113.52 16.65 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.071 -0.513 . . . . 20.0 110.34 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -93.69 151.01 19.94 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 116.284 -0.416 . . . . 20.0 110.926 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -128.22 80.24 72.63 Favored Pre-proline 0 CA--C 1.552 1.039 0 CA-C-N 116.049 -0.523 . . . . 20.0 110.5 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -69.52 141.27 45.76 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.834 2.356 . . . . 20.0 112.395 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 53.4 t -74.98 143.06 43.81 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 116.278 -0.419 . . . . 20.0 110.608 174.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -76.07 -39.59 55.05 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 120.772 0.32 . . . . 20.0 111.031 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -84.32 -20.88 31.33 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-N 116.033 -0.531 . . . . 20.0 111.979 -169.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.9 p -142.27 163.42 32.9 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 120.791 0.329 . . . . 20.0 110.677 174.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -87.41 28.98 0.9 Allowed 'General case' 0 CA--C 1.562 1.434 0 N-CA-C 112.269 0.47 . . . . 20.0 112.269 -169.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.14 163.67 13.37 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 120.864 0.364 . . . . 20.0 111.103 176.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 21.3 t -128.53 138.44 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 116.025 -0.534 . . . . 20.0 110.851 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -106.44 150.84 40.0 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 116.028 -0.533 . . . . 20.0 110.605 175.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -86.23 -5.68 8.42 Favored 'Trans proline' 0 CA--C 1.55 1.285 0 C-N-CA 122.91 2.407 . . . . 20.0 112.617 176.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.8 mp -132.18 140.92 48.91 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.581 0.352 . . . . 20.0 110.106 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.04 94.24 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 120.634 0.254 . . . . 20.0 111.016 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.0 -39.53 93.58 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 116.667 -0.242 . . . . 20.0 111.052 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -59.71 -39.18 83.77 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 120.447 0.165 . . . . 20.0 110.605 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -50.77 69.56 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.548 -0.296 . . . . 20.0 110.504 173.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 37.7 m -53.61 -51.34 63.36 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 116.629 -0.259 . . . . 20.0 111.055 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -58.24 -38.26 76.53 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 120.578 0.227 . . . . 20.0 111.096 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -70.32 -40.96 73.88 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 120.581 0.229 . . . . 20.0 111.052 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -68.94 -27.93 66.19 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-O 120.556 0.217 . . . . 20.0 110.786 177.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 14.3 mt -66.01 -30.42 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 116.552 -0.295 . . . . 20.0 110.382 169.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -74.98 -28.65 60.64 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.281 -0.418 . . . . 20.0 111.125 175.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -76.2 -41.76 48.42 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 120.788 0.327 . . . . 20.0 110.908 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 18.6 p -82.21 -16.81 48.32 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 116.221 -0.445 . . . . 20.0 111.433 -176.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 78.94 14.56 81.87 Favored Glycine 0 CA--C 1.544 1.863 0 C-N-CA 121.522 -0.371 . . . . 20.0 112.801 175.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.7 109.82 1.53 Allowed 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.863 0.363 . . . . 20.0 111.0 -177.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -97.07 96.69 8.64 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.297 -0.41 . . . . 20.0 110.519 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 -95.61 -24.34 16.62 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 115.975 -0.557 . . . . 20.0 111.928 -171.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -88.02 93.88 9.62 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.842 0.353 . . . . 20.0 110.471 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -95.39 128.94 42.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.299 -0.41 . . . . 20.0 110.918 -176.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 44.5 t -69.16 146.97 52.01 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.046 -0.525 . . . . 20.0 109.898 170.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 95.6 mt -103.79 -16.58 15.38 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 116.762 -0.199 . . . . 20.0 111.235 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.06 -48.49 23.67 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 116.655 -0.248 . . . . 20.0 111.17 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.9 p -120.01 -3.49 10.14 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 111.97 0.359 . . . . 20.0 111.97 -175.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 82.5 -3.13 83.51 Favored Glycine 0 CA--C 1.556 2.65 0 C-N-CA 121.1 -0.571 . . . . 20.0 113.513 172.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -69.74 139.9 53.39 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 117.379 0.59 . . . . 20.0 111.04 -176.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 19.7 m -104.69 144.71 31.36 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 116.343 -0.389 . . . . 20.0 111.344 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -132.1 161.41 33.35 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.957 -0.565 . . . . 20.0 110.677 -179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -83.83 -24.52 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 N-CA-C 111.989 0.366 . . . . 20.0 111.989 -169.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 34.6 p30 -152.67 173.55 15.09 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 120.978 0.418 . . . . 20.0 111.432 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -65.58 -35.82 81.94 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.972 -0.558 . . . . 20.0 111.131 -176.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -63.05 -44.11 96.74 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 116.393 -0.367 . . . . 20.0 110.91 -174.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -69.33 -47.83 63.27 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.543 -0.299 . . . . 20.0 111.114 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -40.3 95.99 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 120.489 0.185 . . . . 20.0 110.838 -177.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 47.1 t -63.32 -46.97 84.19 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.745 -0.207 . . . . 20.0 110.71 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 21.7 t -60.64 -38.0 83.36 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.895 0.379 . . . . 20.0 110.994 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -65.1 -47.59 76.67 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.427 -0.351 . . . . 20.0 110.969 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 73.8 mt -63.98 -44.47 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 120.461 0.172 . . . . 20.0 111.015 -176.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -65.53 -37.14 85.87 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 121.342 -0.143 . . . . 20.0 111.267 -176.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 78.7 p -89.87 -28.52 19.19 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 111.905 0.335 . . . . 20.0 111.905 -171.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 70.6 t -95.46 -48.86 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 CA-C-O 120.548 0.213 . . . . 20.0 111.161 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -100.02 -4.94 28.92 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 116.557 -0.292 . . . . 20.0 111.561 -173.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 45.0 m 55.25 38.37 30.28 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 122.572 0.349 . . . . 20.0 111.401 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -130.83 165.63 22.6 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 120.936 0.398 . . . . 20.0 111.134 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -109.09 115.36 56.97 Favored Pre-proline 0 CA--C 1.556 1.187 0 CA-C-N 116.002 -0.544 . . . . 20.0 110.653 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -70.46 -15.38 34.46 Favored 'Trans proline' 0 CA--C 1.551 1.354 0 C-N-CA 122.479 2.119 . . . . 20.0 112.836 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 28.4 t -83.98 2.01 40.93 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 116.765 -0.198 . . . . 20.0 111.266 177.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -84.6 -139.92 4.62 Favored Glycine 0 CA--C 1.542 1.748 0 N-CA-C 112.433 -0.267 . . . . 20.0 112.433 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -120.09 29.7 7.38 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-O 120.965 0.412 . . . . 20.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 22.5 m -109.2 0.79 19.88 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 116.285 -0.416 . . . . 20.0 111.415 -176.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 8.8 mptt 21.19 74.67 0.02 OUTLIER 'General case' 0 N--CA 1.514 2.769 0 O-C-N 123.662 0.601 . . . . 20.0 112.601 -175.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 17.2 mt -91.43 9.75 30.46 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 116.526 -0.306 . . . . 20.0 111.772 -175.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -144.68 155.79 43.76 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.043 0.449 . . . . 20.0 111.343 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -132.78 134.29 44.52 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.695 -0.684 . . . . 20.0 110.083 175.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -103.8 111.82 24.5 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 120.941 0.4 . . . . 20.0 110.769 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -85.95 158.17 56.35 Favored Pre-proline 0 CA--C 1.555 1.149 0 CA-C-N 116.125 -0.488 . . . . 20.0 110.969 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -64.9 158.52 50.85 Favored 'Trans proline' 0 CA--C 1.546 1.096 0 C-N-CA 122.376 2.051 . . . . 20.0 112.147 174.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 27.0 t -93.32 126.85 38.66 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 116.31 -0.404 . . . . 20.0 110.382 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -116.36 -18.98 10.34 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 116.571 -0.286 . . . . 20.0 111.525 -176.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 39.4 m -69.48 -23.1 63.59 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 111.6 0.222 . . . . 20.0 111.6 -175.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.2 pp -145.1 163.56 33.93 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 120.767 0.318 . . . . 20.0 110.945 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -83.25 119.47 24.61 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 116.208 -0.451 . . . . 20.0 111.523 -170.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 25.9 pt -144.52 169.44 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-N 115.767 -0.652 . . . . 20.0 110.085 173.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . 0.421 HH22 " H1'" ' E' ' 27' ' ' ' DG' . 22.8 ptt180 -72.39 137.82 46.79 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 110.09 -0.337 . . . . 20.0 110.09 171.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -112.04 96.22 5.92 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.152 -0.476 . . . . 20.0 110.7 -171.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -65.73 153.35 42.02 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 116.012 -0.54 . . . . 20.0 111.134 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.06 -13.34 62.38 Favored 'General case' 0 CA--C 1.559 1.3 0 CA-C-N 116.024 -0.535 . . . . 20.0 111.966 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -80.37 -24.09 40.01 Favored 'General case' 0 CA--C 1.554 1.105 0 O-C-N 122.387 -0.195 . . . . 20.0 111.114 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.73 -30.62 36.22 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 120.93 0.395 . . . . 20.0 110.201 169.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 7.1 t -73.79 4.13 5.61 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-N 115.874 -0.603 . . . . 20.0 111.434 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -57.47 147.07 27.6 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-O 121.023 0.44 . . . . 20.0 111.06 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -138.55 146.94 42.49 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 116.079 -0.509 . . . . 20.0 110.661 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 N--CA 1.478 0.973 0 CA-C-N 116.21 -0.45 . . . . 20.0 110.83 178.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.142 0 O5'-C5'-C4' 114.176 2.84 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.646 0 O4'-C4'-C3' 108.518 2.918 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.599 0 O5'-C5'-C4' 114.018 2.727 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.666 0 O5'-C5'-C4' 115.015 3.44 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.221 0 O5'-C5'-C4' 114.599 3.142 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.586 0 P-O3'-C3' 124.031 3.61 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.591 0 O4'-C4'-C3' 108.968 3.368 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' ' DC' . . . . . 0.424 " H3'" HH21 ' A' ' 501' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.111 0 P-O3'-C3' 122.971 2.726 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.888 1 C3'-C2'-C1' 96.368 -4.523 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.018 0 O3'-P-O5' 98.11 -3.1 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.647 0 P-O3'-C3' 123.607 3.256 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.093 0 P-O3'-C3' 122.808 2.59 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.355 0 O4'-C4'-C3' 108.529 2.929 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.416 0 O4'-C4'-C3' 108.838 3.238 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.335 0 O4'-C4'-C3' 108.491 2.891 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.528 0 P-O3'-C3' 123.244 2.953 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.437 1 O5'-C5'-C4' 116.417 4.44 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 0 O4'-C4'-C3' 108.894 3.294 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.3 0 C1'-O4'-C4' 106.261 -2.456 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.949 0 O4'-C4'-C3' 108.596 2.996 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.666 0 O5'-C5'-C4' 113.897 2.641 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.448 0 O4'-C4'-C3' 108.41 2.81 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.652 0 P-O3'-C3' 123.434 3.111 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.592 0 O5'-C5'-C4' 114.48 3.057 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.387 0 O4'-C4'-C3' 108.589 2.989 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.643 1 O5'-C5'-C4' 115.815 4.011 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 27' ' ' ' DG' . . . . . 0.421 " H1'" HH22 ' A' ' 595' ' ' ARG . . . . . . . . 0 P--O5' 1.63 3.658 2 C3'-C2'-C1' 94.683 -5.727 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.611 0 O4'-C4'-C3' 108.792 3.192 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.895 0 O4'-C4'-C3' 109.141 3.541 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.72 0 O4'-C4'-C3' 108.747 3.147 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.345 0 C1'-O4'-C4' 105.081 -3.299 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.316 0 P-O3'-C3' 124.456 3.963 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.334 0 O4'-C4'-C3' 108.883 3.283 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.362 0 P-O3'-C3' 123.531 3.192 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.316 0 P-O3'-C3' 123.12 2.85 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.68 0 O4'-C4'-C3' 108.694 3.094 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.635 0 O4'-C4'-C3' 108.525 2.925 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.323 0 P-O3'-C3' 122.828 2.607 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.654 0 CA-C-O 120.777 0.322 . . . . 20.0 110.531 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -146.09 145.34 30.5 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.374 -0.375 . . . . 20.0 111.079 -175.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -84.85 147.91 26.56 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 121.019 0.438 . . . . 20.0 110.892 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.29 89.06 2.47 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 115.596 -0.729 . . . . 20.0 110.839 -175.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 43.8 tpp -149.7 144.78 26.32 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.644 -0.707 . . . . 20.0 110.258 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -113.18 84.68 2.04 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 121.109 0.481 . . . . 20.0 110.682 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 28.5 m -141.44 152.31 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 115.73 -0.668 . . . . 20.0 110.8 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -73.98 95.22 2.46 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 116.246 -0.434 . . . . 20.0 110.263 175.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -65.28 126.0 26.8 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.145 -0.479 . . . . 20.0 111.037 -174.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -96.88 26.08 4.86 Favored 'General case' 0 CA--C 1.557 1.243 0 CA-C-N 116.136 -0.484 . . . . 20.0 110.846 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 25.6 p30 -86.83 11.19 13.84 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.255 -0.429 . . . . 20.0 111.194 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 483' ' ' HIS . . . . . 0.473 ' HB3' HD21 ' A' ' 509' ' ' LEU . 57.0 p-80 -160.22 176.2 12.02 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 120.866 0.365 . . . . 20.0 111.108 178.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -136.61 158.51 44.27 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.811 -0.631 . . . . 20.0 110.294 169.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -98.57 142.32 30.3 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.91 0.386 . . . . 20.0 110.864 -177.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.2 tp -140.84 111.51 6.94 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.059 -0.519 . . . . 20.0 110.411 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 24.1 mt -81.61 124.61 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 120.884 0.373 . . . . 20.0 110.653 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 44.0 t -138.43 126.61 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 115.859 -0.61 . . . . 20.0 110.235 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 40.2 t0 50.09 40.65 22.12 Favored 'General case' 0 CA--C 1.564 1.484 0 CA-C-O 121.056 0.455 . . . . 20.0 111.2 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.7 -24.24 11.02 Favored Glycine 0 CA--C 1.547 2.081 0 CA-C-N 116.228 -0.442 . . . . 20.0 112.948 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -87.98 140.66 29.27 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 116.908 0.354 . . . . 20.0 111.024 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 59.8 t -83.07 117.81 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 116.378 -0.374 . . . . 20.0 110.064 170.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -95.92 157.17 16.02 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.405 -0.361 . . . . 20.0 110.263 172.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -123.38 125.09 44.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 20.0 110.122 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.1 mt -118.71 128.51 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-O 120.929 0.395 . . . . 20.0 111.152 -170.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 7.1 t -65.84 137.37 57.16 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.098 -0.501 . . . . 20.0 110.888 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 34.0 pt -68.58 -40.04 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 111.681 0.252 . . . . 20.0 111.681 -177.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.82 -64.2 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-O 120.739 0.304 . . . . 20.0 111.796 -175.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.1 p -105.18 -4.94 21.17 Favored 'General case' 0 CA--C 1.557 1.243 0 N-CA-C 112.383 0.512 . . . . 20.0 112.383 -169.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 58.13 40.71 24.83 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 122.643 0.377 . . . . 20.0 111.682 -176.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 63.3 mtt85 -83.86 132.65 34.78 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 116.318 -0.401 . . . . 20.0 110.088 169.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 29.6 p -96.47 146.43 24.8 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 121.035 0.445 . . . . 20.0 111.379 -175.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -138.21 138.41 38.51 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.685 -0.688 . . . . 20.0 110.725 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 79.0 t -76.77 -17.75 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 116.139 -0.482 . . . . 20.0 110.895 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 74.8 m -133.3 135.72 45.03 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 120.813 0.339 . . . . 20.0 111.032 -178.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 19.9 mt -58.96 -33.7 70.95 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 116.271 -0.422 . . . . 20.0 110.977 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 33.0 p -56.91 -42.1 79.32 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 120.619 0.247 . . . . 20.0 110.973 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 14.5 m -65.57 -39.44 91.66 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.507 -0.315 . . . . 20.0 110.813 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.473 HD21 ' HB3' ' A' ' 483' ' ' HIS . 9.0 tp -63.67 -42.82 98.0 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 116.419 -0.355 . . . . 20.0 110.936 178.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -62.35 -44.31 96.77 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 110.256 -0.276 . . . . 20.0 110.256 177.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -57.23 -44.27 83.65 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 115.951 -0.568 . . . . 20.0 110.817 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -69.27 -49.39 56.5 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.27 -0.423 . . . . 20.0 111.318 -175.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -61.99 -20.96 64.44 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 116.846 -0.161 . . . . 20.0 111.386 -172.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -21.77 61.67 Favored 'General case' 0 CA--C 1.56 1.333 0 CA-C-O 120.552 0.215 . . . . 20.0 111.177 174.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 30.7 mt -79.15 -20.87 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-O 120.657 0.265 . . . . 20.0 111.024 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -95.04 -37.52 11.08 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.627 0.251 . . . . 20.0 110.939 177.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 88.7 p -83.29 -33.58 25.94 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.451 -0.34 . . . . 20.0 111.458 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 64.7 m95 50.26 40.15 21.65 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 121.261 0.553 . . . . 20.0 110.464 -169.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -64.67 -30.29 71.31 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.805 -0.634 . . . . 20.0 110.907 177.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -136.53 123.56 21.54 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.269 -0.423 . . . . 20.0 110.636 177.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -91.31 145.39 24.69 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.193 -0.458 . . . . 20.0 110.248 171.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -123.97 79.93 57.58 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 116.186 -0.461 . . . . 20.0 110.301 176.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.63 135.75 16.49 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.766 2.311 . . . . 20.0 112.318 -178.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 52.7 t -68.57 148.13 50.96 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.891 -0.595 . . . . 20.0 110.654 176.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -79.56 -38.25 34.55 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 116.396 -0.365 . . . . 20.0 110.861 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -85.77 -20.87 28.59 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 116.373 -0.376 . . . . 20.0 111.867 -170.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 14.6 p -142.58 167.98 20.8 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.848 0.356 . . . . 20.0 110.8 175.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.66 8.57 7.7 Favored 'General case' 0 CA--C 1.564 1.507 0 N-CA-C 112.038 0.384 . . . . 20.0 112.038 -172.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -68.86 137.72 54.13 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 120.684 0.278 . . . . 20.0 111.125 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 13.2 t -115.75 138.07 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 116.162 -0.472 . . . . 20.0 110.695 173.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -111.08 152.49 43.74 Favored Pre-proline 0 CA--C 1.541 0.617 0 CA-C-N 116.004 -0.544 . . . . 20.0 110.629 175.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -86.48 -1.57 8.37 Favored 'Trans proline' 0 CA--C 1.559 1.725 0 C-N-CA 123.015 2.476 . . . . 20.0 112.504 172.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 7.4 mp -131.67 143.18 50.1 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.696 0.399 . . . . 20.0 110.168 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -71.41 -43.66 66.37 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 120.612 0.244 . . . . 20.0 111.165 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -59.48 -35.87 74.94 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 120.628 0.252 . . . . 20.0 110.889 -178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -64.13 -37.85 88.96 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.543 -0.299 . . . . 20.0 110.888 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -58.17 -49.5 76.81 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.009 0.433 . . . . 20.0 110.241 174.401 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . 0.466 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 90.8 m -61.9 -56.86 14.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.816 -0.629 . . . . 20.0 111.06 -175.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -59.5 -35.04 73.38 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.705 -0.225 . . . . 20.0 111.119 -177.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -67.79 -46.16 72.75 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-O 120.68 0.276 . . . . 20.0 111.004 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -68.72 -27.38 65.88 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.725 -0.216 . . . . 20.0 111.19 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 21.4 mt -63.96 -32.32 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-O 120.554 0.216 . . . . 20.0 110.523 170.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' HIS . . . . . 0.421 ' HA ' HD11 ' A' ' 560' ' ' ILE . 5.2 t-160 -76.98 -28.61 55.17 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 116.538 -0.301 . . . . 20.0 111.082 177.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -72.27 -42.02 66.04 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 120.677 0.275 . . . . 20.0 110.899 174.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 28.7 p -85.36 -14.15 47.29 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 116.493 -0.322 . . . . 20.0 111.638 -174.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 74.14 14.89 80.19 Favored Glycine 0 CA--C 1.543 1.828 0 C-N-CA 121.407 -0.425 . . . . 20.0 112.518 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.62 115.81 3.01 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 120.888 0.375 . . . . 20.0 111.082 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 60.9 mmt-85 -72.55 144.66 47.85 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 116.241 -0.436 . . . . 20.0 110.416 176.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 58.9 ttt85 -134.83 -60.83 0.77 Allowed 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 116.049 -0.523 . . . . 20.0 111.187 -171.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -89.61 108.38 19.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.366 . . . . 20.0 110.664 -176.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -92.54 120.02 32.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 20.0 110.592 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 41.8 t -65.43 146.56 54.73 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 110.053 -0.351 . . . . 20.0 110.053 172.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 94.5 mt -108.42 -18.95 13.62 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.531 -0.304 . . . . 20.0 111.288 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.14 -50.09 17.43 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.666 -0.243 . . . . 20.0 111.305 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 29.2 p -120.08 0.91 10.83 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 112.032 0.382 . . . . 20.0 112.032 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 80.03 3.58 89.49 Favored Glycine 0 CA--C 1.556 2.646 0 C-N-CA 120.9 -0.667 . . . . 20.0 113.616 171.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -73.81 137.85 44.11 Favored 'General case' 0 N--CA 1.488 1.425 0 CA-C-N 117.553 0.677 . . . . 20.0 110.994 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 4.5 m -100.8 140.99 34.3 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 116.232 -0.44 . . . . 20.0 110.974 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -124.27 153.91 41.01 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 120.96 0.409 . . . . 20.0 111.048 -177.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.421 HD11 ' HA ' ' A' ' 543' ' ' HIS . 8.8 tt -85.8 -29.61 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 116.041 -0.527 . . . . 20.0 111.627 -172.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -147.32 168.94 20.51 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 120.975 0.417 . . . . 20.0 111.012 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' TYR . . . . . 0.4 ' CE1' " H2'" ' E' ' 31' ' ' ' DG' . 44.2 t80 -67.78 -34.74 77.37 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.044 -0.525 . . . . 20.0 111.164 -172.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -63.48 -44.0 95.69 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 116.424 -0.353 . . . . 20.0 110.894 -175.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -67.6 -47.19 70.42 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.407 -0.36 . . . . 20.0 110.679 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 4.6 ttp -55.27 -47.32 75.65 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 120.713 0.292 . . . . 20.0 110.962 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 25.3 t -61.92 -47.82 83.19 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.394 -0.366 . . . . 20.0 110.808 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 29.9 t -58.25 -42.55 86.63 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.464 -0.335 . . . . 20.0 110.994 177.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -62.63 -51.27 67.92 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.332 -0.395 . . . . 20.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.05 -38.17 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-O 120.572 0.225 . . . . 20.0 110.749 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -68.87 -42.62 76.77 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.723 -0.217 . . . . 20.0 111.265 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 50.0 p -81.2 -33.03 33.24 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 111.892 0.33 . . . . 20.0 111.892 -174.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 70.7 t -95.01 -47.17 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 CA-C-O 120.416 0.151 . . . . 20.0 111.397 -172.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -100.11 -5.79 27.33 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 116.662 -0.245 . . . . 20.0 111.411 -174.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 33.8 m 56.89 38.61 29.52 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 120.782 0.325 . . . . 20.0 111.098 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -132.24 157.02 45.43 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.266 -0.425 . . . . 20.0 110.762 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -104.48 113.21 65.28 Favored Pre-proline 0 CA--C 1.551 1.004 0 CA-C-N 116.212 -0.449 . . . . 20.0 110.657 178.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -74.95 -14.85 21.14 Favored 'Trans proline' 0 CA--C 1.551 1.346 0 C-N-CA 122.598 2.199 . . . . 20.0 112.527 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 13.4 t -77.16 -15.19 59.62 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 116.602 -0.272 . . . . 20.0 111.075 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -81.5 -130.19 1.13 Allowed Glycine 0 CA--C 1.54 1.642 0 N-CA-C 112.321 -0.312 . . . . 20.0 112.321 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -120.0 29.84 7.32 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 120.929 0.395 . . . . 20.0 110.949 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 48.5 p -86.54 -44.37 11.99 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 116.383 -0.371 . . . . 20.0 111.109 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 59.22 73.23 0.49 Allowed 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.221 0.534 . . . . 20.0 110.773 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 12.3 mt -109.49 19.63 19.08 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.716 -0.675 . . . . 20.0 111.499 -172.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -147.28 162.93 37.94 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 120.952 0.406 . . . . 20.0 111.264 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -132.08 139.24 48.44 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.951 -0.568 . . . . 20.0 110.469 177.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.28 128.87 36.53 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 116.335 -0.393 . . . . 20.0 110.849 -175.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -112.65 154.09 44.82 Favored Pre-proline 0 N--CA 1.487 1.377 0 CA-C-N 116.552 -0.295 . . . . 20.0 110.985 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -70.77 156.67 60.27 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.672 2.248 . . . . 20.0 112.859 -174.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 41.5 t -98.62 128.33 44.88 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 116.006 -0.543 . . . . 20.0 110.411 172.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -128.36 -16.46 4.41 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 116.353 -0.385 . . . . 20.0 111.662 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 96.3 p -62.33 -27.53 69.12 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 111.578 0.214 . . . . 20.0 111.578 -177.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.8 pp -137.72 163.41 31.38 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 120.889 0.376 . . . . 20.0 110.879 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -86.73 109.72 19.41 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 116.135 -0.484 . . . . 20.0 111.247 -171.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 26.7 pt -143.91 168.13 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 115.917 -0.583 . . . . 20.0 110.278 171.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . 0.424 HH22 " H1'" ' E' ' 27' ' ' ' DG' . 21.8 ptt180 -72.45 142.11 48.61 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.972 -0.381 . . . . 20.0 109.972 170.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -127.4 116.84 21.09 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.081 0.467 . . . . 20.0 110.743 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -67.53 158.28 32.34 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.65 -0.705 . . . . 20.0 111.176 -178.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.42 -9.99 56.02 Favored 'General case' 0 CA--C 1.56 1.333 0 CA-C-N 116.349 -0.387 . . . . 20.0 111.879 -176.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -77.19 -21.69 53.55 Favored 'General case' 0 CA--C 1.554 1.123 0 O-C-N 122.304 -0.248 . . . . 20.0 110.856 174.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.27 -31.07 48.88 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.846 -0.427 . . . . 20.0 109.846 169.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 66.3 m -72.86 6.23 2.71 Favored 'General case' 0 CA--C 1.562 1.429 0 CA-C-N 115.93 -0.577 . . . . 20.0 111.74 -177.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -51.76 138.82 22.8 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-O 120.999 0.428 . . . . 20.0 111.184 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -68.51 147.35 52.12 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 116.091 -0.504 . . . . 20.0 110.996 -177.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 N--CA 1.476 0.831 0 CA-C-N 116.145 -0.48 . . . . 20.0 110.881 178.237 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.097 0 O5'-C5'-C4' 114.16 2.829 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.717 0 O4'-C4'-C3' 108.566 2.966 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.494 0 O5'-C5'-C4' 114.121 2.801 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.503 0 O5'-C5'-C4' 115.123 3.516 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.011 0 P-O3'-C3' 123.466 3.138 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.91 0 O5'-C5'-C4' 114.708 3.22 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.378 0 O5'-C5'-C4' 115.625 3.875 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.589 0 O4'-C4'-C3' 109.084 3.484 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.417 0 C3'-C2'-C1' 98.17 -3.235 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.079 0 C5'-C4'-C3' 110.984 -2.477 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.67 0 P-O3'-C3' 123.894 3.495 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.582 0 P-O3'-C3' 122.768 2.557 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.549 0 O5'-C5'-C4' 114.972 3.408 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.647 0 P-O3'-C3' 123.2 2.917 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.685 0 O4'-C4'-C3' 108.647 3.047 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.808 0 O4'-C4'-C3' 109.122 3.522 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.095 1 O5'-C5'-C4' 115.902 4.073 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.721 0 C5'-C4'-C3' 110.418 -2.855 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.348 0 C1'-O4'-C4' 106.068 -2.594 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.601 0 C1'-O4'-C4' 106.024 -2.626 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.6 0 O5'-C5'-C4' 113.9 2.643 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.245 0 P-O3'-C3' 123.047 2.789 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.627 0 P-O3'-C3' 123.337 3.031 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.611 0 O4'-C4'-C3' 108.821 3.221 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.499 0 P-O3'-C3' 123.992 3.576 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.429 0 O5'-C5'-C4' 115.621 3.872 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 27' ' ' ' DG' . . . . . 0.424 " H1'" HH22 ' A' ' 595' ' ' ARG . . . . . . . . 0 C5'--C4' 1.54 3.61 2 C3'-C2'-C1' 95.658 -5.03 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.412 -1.434 0 O3'-P-O5' 98.588 -2.849 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.751 0 C3'-C2'-C1' 105.552 2.037 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.564 0 O5'-C5'-C4' 115.653 3.895 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 31' ' ' ' DG' . . . . . 0.4 " H2'" ' CE1' ' A' ' 562' ' ' TYR . . . . . . . . 1 P--O5' 1.634 4.099 0 O5'-C5'-C4' 115.522 3.801 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.743 0 O5'-C5'-C4' 115.023 3.445 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.775 0 O5'-C5'-C4' 114.999 3.428 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.291 0 P-O3'-C3' 123.041 2.784 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.433 0 P-O3'-C3' 123.168 2.89 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.653 0 O4'-C4'-C3' 108.698 3.098 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.665 0 O4'-C4'-C3' 108.555 2.955 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.345 0 P-O3'-C3' 122.87 2.641 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.887 0 CA-C-O 120.92 0.391 . . . . 20.0 110.965 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -71.73 146.63 48.03 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 116.208 -0.451 . . . . 20.0 110.783 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -152.74 158.25 42.03 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 116.223 -0.444 . . . . 20.0 110.829 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -142.6 131.15 22.48 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.094 -0.503 . . . . 20.0 110.757 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.84 79.93 0.48 Allowed 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 116.098 -0.501 . . . . 20.0 110.377 171.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.59 131.93 46.57 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 116.542 -0.299 . . . . 20.0 110.396 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 3.6 p -148.04 146.4 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-N 116.254 -0.43 . . . . 20.0 111.029 -171.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -89.82 162.14 15.65 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 116.238 -0.437 . . . . 20.0 110.935 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -119.91 172.02 8.02 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 116.271 -0.422 . . . . 20.0 111.001 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -81.2 43.75 0.73 Allowed 'General case' 0 CA--C 1.561 1.387 0 CA-C-N 116.214 -0.448 . . . . 20.0 111.396 -176.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -88.72 8.28 29.53 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 116.128 -0.487 . . . . 20.0 110.871 175.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 483' ' ' HIS . . . . . 0.474 ' HB3' HD21 ' A' ' 509' ' ' LEU . 56.7 p-80 -160.7 177.59 10.31 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.287 -0.415 . . . . 20.0 110.534 178.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -136.5 158.02 45.41 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.031 -0.531 . . . . 20.0 110.012 169.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -103.52 140.2 37.83 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.923 0.392 . . . . 20.0 110.954 -176.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.3 tp -138.09 115.23 10.95 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.895 -0.593 . . . . 20.0 110.308 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 30.3 mt -85.79 123.06 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-O 120.995 0.426 . . . . 20.0 110.526 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 45.5 t -137.27 129.29 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 115.765 -0.652 . . . . 20.0 110.068 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.92 34.91 17.81 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-O 121.056 0.455 . . . . 20.0 111.344 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.33 3.19 88.48 Favored Glycine 0 CA--C 1.55 2.238 0 CA-C-N 116.307 -0.406 . . . . 20.0 112.881 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -109.59 135.77 50.03 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.519 0.328 . . . . 20.0 110.591 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 97.8 t -80.03 119.22 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-O 120.727 0.299 . . . . 20.0 110.313 174.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -102.57 153.65 19.89 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.287 -0.415 . . . . 20.0 110.213 172.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -118.68 127.1 53.25 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.118 -0.492 . . . . 20.0 109.968 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 5.3 mt -121.08 128.83 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 120.803 0.335 . . . . 20.0 111.019 -170.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 8.4 t -65.7 137.09 57.07 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.206 -0.452 . . . . 20.0 110.585 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 22.1 pt -68.62 -39.77 80.87 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 CA-C-N 116.676 -0.238 . . . . 20.0 111.559 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 47.7 t -60.92 -63.95 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 111.935 0.346 . . . . 20.0 111.935 -176.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.5 p -105.11 -5.28 20.96 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 112.457 0.539 . . . . 20.0 112.457 -169.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 58.06 35.89 25.56 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 122.572 0.349 . . . . 20.0 111.883 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -76.67 132.78 39.56 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 109.874 -0.417 . . . . 20.0 109.874 169.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 24.6 p -95.28 143.16 26.9 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.034 0.445 . . . . 20.0 111.26 -175.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -135.4 138.69 43.53 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.647 -0.706 . . . . 20.0 110.964 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 53.5 t -77.71 -18.33 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 115.989 -0.551 . . . . 20.0 110.866 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 84.3 m -127.45 161.0 29.75 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 120.976 0.417 . . . . 20.0 110.804 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 20.3 mt -82.42 -34.96 28.05 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.229 -0.441 . . . . 20.0 110.499 172.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 24.4 p -55.01 -45.18 75.08 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 116.551 -0.295 . . . . 20.0 111.241 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 4.9 p -66.6 -35.73 80.89 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 116.54 -0.3 . . . . 20.0 111.078 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.474 HD21 ' HB3' ' A' ' 483' ' ' HIS . 5.0 tp -64.68 -45.66 85.74 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 116.627 -0.261 . . . . 20.0 110.977 177.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -60.44 -49.04 79.15 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 120.627 0.251 . . . . 20.0 110.369 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -50.58 -47.08 58.07 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 116.038 -0.528 . . . . 20.0 110.628 173.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -68.26 -44.17 76.2 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.211 -0.45 . . . . 20.0 111.413 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -58.84 -26.53 64.27 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-O 120.545 0.212 . . . . 20.0 111.266 -173.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.59 -23.94 63.36 Favored 'General case' 0 CA--C 1.561 1.376 0 CA-C-N 116.705 -0.225 . . . . 20.0 111.306 176.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 39.3 mt -75.42 -21.21 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 C-N-CA 122.414 0.286 . . . . 20.0 111.035 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -93.74 -41.87 9.45 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.684 0.278 . . . . 20.0 110.929 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 89.7 p -75.86 -36.29 59.63 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.519 -0.309 . . . . 20.0 111.297 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 58.5 m95 50.21 30.84 4.61 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-O 121.168 0.509 . . . . 20.0 110.37 -169.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -67.18 -31.3 71.61 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.874 -0.603 . . . . 20.0 110.715 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -131.35 121.31 24.45 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.202 -0.454 . . . . 20.0 110.512 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -94.24 149.28 21.38 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.138 -0.483 . . . . 20.0 110.812 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -121.01 80.0 34.02 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 116.034 -0.53 . . . . 20.0 110.326 173.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.32 142.59 30.36 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.745 2.296 . . . . 20.0 112.404 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 33.6 t -74.63 141.36 44.66 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.932 -0.576 . . . . 20.0 110.753 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -75.54 -38.16 59.51 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 116.446 -0.343 . . . . 20.0 110.735 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -85.23 -22.12 28.8 Favored 'General case' 0 CA--C 1.56 1.351 0 CA-C-N 115.904 -0.589 . . . . 20.0 111.959 -169.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 9.4 p -145.02 169.83 17.33 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 120.841 0.353 . . . . 20.0 110.895 175.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.75 6.65 10.32 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 112.166 0.432 . . . . 20.0 112.166 -170.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -68.94 151.56 46.39 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 120.816 0.341 . . . . 20.0 111.038 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 17.2 t -129.94 140.14 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 CA-C-N 116.137 -0.483 . . . . 20.0 110.829 175.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -114.74 150.85 44.71 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 116.041 -0.527 . . . . 20.0 110.837 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -85.1 -4.27 9.61 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 C-N-CA 122.952 2.435 . . . . 20.0 112.799 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.4 mp -132.52 144.09 50.19 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.566 0.347 . . . . 20.0 110.39 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.44 91.14 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 116.341 -0.39 . . . . 20.0 111.09 175.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -63.48 -48.53 77.29 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 120.777 0.322 . . . . 20.0 110.916 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -61.73 -34.7 76.27 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.243 -0.435 . . . . 20.0 110.501 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . 0.471 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -57.93 -63.02 1.4 Allowed 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.287 -0.415 . . . . 20.0 110.063 169.769 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . 0.471 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 63.6 m -50.24 -50.33 50.25 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.045 -0.525 . . . . 20.0 111.123 -174.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -62.47 -36.75 83.45 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.566 -0.288 . . . . 20.0 111.075 -177.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -70.56 -41.1 72.88 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 120.554 0.216 . . . . 20.0 111.122 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.97 -41.38 87.4 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 120.722 0.296 . . . . 20.0 110.413 175.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 61.3 mt -62.94 -31.51 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 116.471 -0.331 . . . . 20.0 110.84 176.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' HIS . . . . . 0.537 ' HA ' HD11 ' A' ' 560' ' ' ILE . 4.3 t-80 -68.8 -26.41 65.18 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.636 -0.256 . . . . 20.0 110.665 177.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -82.13 -38.35 24.88 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 116.844 -0.162 . . . . 20.0 111.185 176.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 62.6 p -74.48 -36.22 63.27 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 120.672 0.273 . . . . 20.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 85.77 16.1 64.25 Favored Glycine 0 CA--C 1.541 1.692 0 C-N-CA 121.567 -0.349 . . . . 20.0 112.593 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.4 120.7 8.66 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 120.866 0.365 . . . . 20.0 111.449 -175.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -82.34 79.98 8.66 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.032 0.444 . . . . 20.0 110.432 174.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -86.73 -28.46 23.05 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 115.975 -0.557 . . . . 20.0 111.535 -174.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -99.01 110.14 22.79 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.156 0.182 . . . . 20.0 110.732 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -107.27 130.41 54.76 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.885 0.374 . . . . 20.0 110.968 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 49.2 t -69.62 147.79 50.21 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.033 -0.53 . . . . 20.0 110.136 170.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 80.9 mt -104.89 -17.01 14.7 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 116.734 -0.212 . . . . 20.0 111.436 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.23 -49.69 18.56 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 116.74 -0.209 . . . . 20.0 111.066 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 32.0 p -120.04 -2.36 10.25 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 111.952 0.353 . . . . 20.0 111.952 -176.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 81.25 -4.3 72.72 Favored Glycine 0 CA--C 1.555 2.581 0 C-N-CA 121.165 -0.541 . . . . 20.0 113.388 173.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -71.38 140.1 50.03 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 117.316 0.558 . . . . 20.0 110.833 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 50.4 m -111.91 154.6 24.96 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 121.009 0.433 . . . . 20.0 111.617 -175.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -135.67 166.46 23.2 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.717 -0.674 . . . . 20.0 110.717 -176.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' ' 543' ' ' HIS . 12.5 tt -88.54 -23.19 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 CA-C-N 116.154 -0.475 . . . . 20.0 111.867 -171.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -151.31 170.18 20.14 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-O 121.022 0.439 . . . . 20.0 111.288 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -66.79 -34.31 77.55 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.896 -0.593 . . . . 20.0 111.353 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 28.7 mp0 -64.25 -48.64 75.02 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 116.678 -0.237 . . . . 20.0 110.95 -175.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -64.17 -42.77 96.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.632 -0.258 . . . . 20.0 110.729 176.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 37.8 ttp -58.79 -50.78 72.69 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.447 -0.342 . . . . 20.0 111.053 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 24.8 t -61.46 -43.79 98.25 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.609 0.242 . . . . 20.0 110.789 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 22.7 t -58.76 -42.51 89.07 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.45 -0.341 . . . . 20.0 110.906 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -63.56 -47.55 81.1 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 116.499 -0.319 . . . . 20.0 111.144 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.06 -41.38 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-O 120.635 0.255 . . . . 20.0 110.504 -178.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -65.66 -44.99 84.65 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.564 -0.289 . . . . 20.0 110.914 178.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 41.6 m -74.65 -37.17 62.81 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 111.834 0.309 . . . . 20.0 111.834 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 76.9 t -97.0 -46.85 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 CA-C-O 120.548 0.213 . . . . 20.0 111.497 -171.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -100.08 -0.76 38.41 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 116.558 -0.292 . . . . 20.0 111.509 -174.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 39.7 m 55.85 34.79 24.19 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 122.762 0.425 . . . . 20.0 111.396 176.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -133.75 158.73 42.57 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.939 0.399 . . . . 20.0 110.929 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -111.62 116.44 50.32 Favored Pre-proline 0 CA--C 1.549 0.924 0 CA-C-N 116.062 -0.517 . . . . 20.0 110.416 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.83 -20.38 45.71 Favored 'Trans proline' 0 CA--C 1.546 1.121 0 C-N-CA 122.383 2.056 . . . . 20.0 112.578 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 31.2 t -78.82 -18.07 54.65 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 116.512 -0.313 . . . . 20.0 111.078 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -86.15 -154.5 24.45 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 121.487 -0.387 . . . . 20.0 112.149 177.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -87.88 85.71 7.05 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 120.992 0.425 . . . . 20.0 110.211 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 58.2 m -160.27 -60.06 0.06 Allowed 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 116.11 -0.495 . . . . 20.0 110.72 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm 53.61 89.82 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 121.292 0.568 . . . . 20.0 111.129 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 1.1 mt -116.35 30.05 7.58 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 115.573 -0.74 . . . . 20.0 111.223 -175.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -147.04 162.47 38.73 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 120.994 0.426 . . . . 20.0 111.36 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -136.32 139.3 42.5 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.781 -0.645 . . . . 20.0 110.336 173.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -99.04 120.29 39.21 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.25 -0.432 . . . . 20.0 110.376 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -94.52 157.6 36.93 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-N 116.266 -0.425 . . . . 20.0 110.847 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.3 143.09 99.85 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.642 2.228 . . . . 20.0 112.428 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 47.0 t -87.42 120.4 28.67 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.175 -0.466 . . . . 20.0 110.402 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -129.82 -13.56 4.14 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 116.362 -0.381 . . . . 20.0 111.981 -173.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 57.1 p -69.49 -22.98 63.57 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 111.568 0.21 . . . . 20.0 111.568 -176.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.5 pp -144.69 172.21 13.31 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-O 120.928 0.394 . . . . 20.0 111.021 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -89.43 107.26 18.97 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 116.143 -0.48 . . . . 20.0 111.621 -170.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 29.6 pt -146.31 169.67 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 CA-C-N 115.801 -0.636 . . . . 20.0 109.753 169.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -75.38 143.53 42.75 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 110.072 -0.344 . . . . 20.0 110.072 173.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -125.71 115.58 20.31 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.013 0.435 . . . . 20.0 110.622 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -59.25 151.55 22.9 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.668 -0.696 . . . . 20.0 110.985 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.7 -10.08 42.96 Favored 'General case' 0 CA--C 1.558 1.26 0 N-CA-C 112.029 0.381 . . . . 20.0 112.029 -175.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -80.12 -15.0 58.05 Favored 'General case' 0 CA--C 1.557 1.238 0 O-C-N 122.365 -0.21 . . . . 20.0 111.083 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.15 -32.52 26.6 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-O 120.909 0.385 . . . . 20.0 110.2 169.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 5.1 t -79.46 2.34 22.27 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-N 116.041 -0.527 . . . . 20.0 111.623 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -64.05 164.49 10.53 Favored 'General case' 0 CA--C 1.559 1.303 0 CA-C-O 121.135 0.493 . . . . 20.0 111.315 -176.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -66.17 161.97 20.83 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 115.941 -0.572 . . . . 20.0 111.364 -177.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 36.8 m . . . . . 0 N--CA 1.484 1.228 0 CA-C-N 115.941 -0.572 . . . . 20.0 111.07 178.057 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.098 0 O5'-C5'-C4' 114.209 2.864 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.662 0 O4'-C4'-C3' 108.609 3.009 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.68 0 O5'-C5'-C4' 114.1 2.785 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.611 0 O5'-C5'-C4' 115.198 3.57 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.324 0 O5'-C5'-C4' 115.024 3.446 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.502 0 P-O3'-C3' 124.006 3.589 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.081 0 O5'-C5'-C4' 115.197 3.569 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.503 0 P-O3'-C3' 123.848 3.457 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.638 4.536 0 C3'-C2'-C1' 97.499 -3.715 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.264 0 O5'-C5'-C4' 114.69 3.207 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.578 0 P-O3'-C3' 123.229 2.941 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.367 0 P-O3'-C3' 122.794 2.579 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.257 0 O5'-C5'-C4' 114.46 3.043 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.401 1 P-O3'-C3' 124.956 4.38 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.557 0 O5'-C5'-C4' 114.15 2.821 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.663 0 O5'-C5'-C4' 114.006 2.718 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.377 0 O4'-C4'-C3' 108.585 2.985 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.761 0 O4'-C4'-C3' 108.333 2.733 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.043 0 P-O3'-C3' 123.348 3.04 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.51 0 C1'-O4'-C4' 105.72 -2.843 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.899 0 O4'-C4'-C3' 108.251 2.651 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.312 0 O4'-C4'-C3' 108.107 2.507 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.627 0 P-O3'-C3' 123.062 2.802 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.09 0 O4'-C4'-C3' 108.245 2.645 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.118 0 O4'-C4'-C3' 108.666 3.066 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.655 0 P-O3'-C3' 123.59 3.242 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.332 2 C3'-C2'-C1' 95.374 -5.233 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.952 0 O3'-P-O5' 99.025 -2.618 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.19 0 O4'-C4'-C3' 108.413 2.813 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.586 0 O4'-C4'-C3' 108.345 2.745 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.063 0 C1'-O4'-C4' 105.224 -3.197 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.765 0 P-O3'-C3' 124.144 3.703 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.474 0 O5'-C5'-C4' 114.914 3.367 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.348 0 P-O3'-C3' 123.305 3.004 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.469 0 P-O3'-C3' 123.274 2.978 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.748 0 O4'-C4'-C3' 108.673 3.073 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.77 0 O4'-C4'-C3' 108.584 2.984 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.281 0 P-O3'-C3' 122.991 2.742 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.784 0 CA-C-O 120.861 0.363 . . . . 20.0 110.788 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -132.22 147.96 52.44 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 116.183 -0.462 . . . . 20.0 110.665 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -82.2 156.94 24.16 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 116.168 -0.469 . . . . 20.0 110.639 176.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -151.75 143.54 23.7 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 116.27 -0.423 . . . . 20.0 110.69 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 93.5 mmm -141.5 79.88 1.7 Allowed 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 116.112 -0.495 . . . . 20.0 110.974 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.1 56.58 1.82 Allowed 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 121.051 0.453 . . . . 20.0 110.843 176.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.38 157.21 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 CA-C-N 115.045 -0.98 . . . . 20.0 110.659 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -80.05 160.66 25.74 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-N 115.057 -0.974 . . . . 20.0 110.531 175.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -132.23 147.65 52.42 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.879 -0.6 . . . . 20.0 110.696 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -97.15 23.49 7.31 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 115.998 -0.546 . . . . 20.0 111.037 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 47.7 p-10 -82.81 6.24 18.92 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 116.409 -0.36 . . . . 20.0 111.145 177.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 483' ' ' HIS . . . . . 0.489 ' HB3' HD21 ' A' ' 509' ' ' LEU . 51.8 p-80 -160.98 176.9 10.9 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.999 0.428 . . . . 20.0 111.276 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -134.49 153.82 51.74 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.502 -0.772 . . . . 20.0 109.659 169.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -102.52 130.74 49.44 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.072 0.463 . . . . 20.0 110.909 -173.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 12.7 tp -131.16 117.28 18.83 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.695 -0.684 . . . . 20.0 110.362 -175.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 21.1 mt -86.96 122.68 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 120.924 0.392 . . . . 20.0 110.514 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 45.9 t -134.57 125.38 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 115.93 -0.577 . . . . 20.0 110.201 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 37.6 t0 50.55 40.12 22.77 Favored 'General case' 0 CA--C 1.564 1.495 0 CA-C-O 121.041 0.448 . . . . 20.0 111.08 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 86.96 -21.51 19.38 Favored Glycine 0 CA--C 1.549 2.213 0 CA-C-N 116.188 -0.46 . . . . 20.0 112.938 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 56.0 mtt85 -88.96 136.44 33.01 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.895 0.347 . . . . 20.0 111.032 -177.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 95.9 t -80.06 122.64 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 116.474 -0.33 . . . . 20.0 110.17 171.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -105.36 153.03 22.21 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.266 -0.425 . . . . 20.0 110.275 173.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -117.97 118.89 33.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 20.0 110.064 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.7 mt -112.08 124.35 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 116.453 -0.34 . . . . 20.0 110.837 -171.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.4 t -63.48 137.87 58.3 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.268 -0.424 . . . . 20.0 110.566 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 31.0 pt -69.81 -39.21 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 116.636 -0.256 . . . . 20.0 111.613 -176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.03 -64.68 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 111.775 0.287 . . . . 20.0 111.775 -176.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 26.7 p -105.07 -4.77 21.54 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 112.383 0.512 . . . . 20.0 112.383 -169.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt 57.89 41.3 24.88 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 122.556 0.343 . . . . 20.0 111.785 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -82.3 131.61 35.23 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 116.354 -0.385 . . . . 20.0 110.003 169.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 39.6 p -93.74 131.75 38.79 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.501 -0.318 . . . . 20.0 111.111 -176.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -123.13 140.59 52.86 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.024 -0.534 . . . . 20.0 111.001 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 74.2 t -79.01 -19.53 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-N 116.068 -0.514 . . . . 20.0 110.946 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 71.3 m -132.75 136.82 46.59 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.731 0.3 . . . . 20.0 111.0 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 18.1 mt -59.02 -36.33 74.78 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.294 -0.412 . . . . 20.0 110.729 176.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 18.2 p -51.49 -41.9 61.27 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 120.584 0.23 . . . . 20.0 111.016 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 17.1 m -67.47 -41.81 83.99 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.488 -0.323 . . . . 20.0 110.973 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 483' ' ' HIS . 5.7 tp -61.58 -50.02 74.29 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.484 -0.325 . . . . 20.0 111.014 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -62.73 -45.47 92.59 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 120.752 0.31 . . . . 20.0 110.536 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' ARG . . . . . 0.442 HH12 ' N4 ' ' E' ' 29' ' ' ' DC' . 40.9 ttp180 -58.95 -40.93 86.19 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.865 175.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -69.24 -44.69 71.48 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 116.255 -0.429 . . . . 20.0 111.283 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.36 -23.6 64.41 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 111.44 0.163 . . . . 20.0 111.44 -173.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -22.06 61.58 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-O 120.499 0.19 . . . . 20.0 111.107 175.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 36.6 mt -77.98 -21.1 13.63 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.088 0 C-N-CA 122.411 0.284 . . . . 20.0 111.037 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -95.07 -41.49 9.1 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.657 0.265 . . . . 20.0 110.904 177.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 91.6 p -81.84 -33.29 30.75 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.406 -0.361 . . . . 20.0 111.389 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 52.7 m95 51.13 37.96 19.59 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 121.255 0.55 . . . . 20.0 110.666 -170.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -64.41 -32.2 73.73 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.846 -0.616 . . . . 20.0 111.031 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -131.84 122.39 25.65 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.37 -0.377 . . . . 20.0 110.492 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -92.78 144.27 25.46 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.227 -0.442 . . . . 20.0 110.584 175.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 534' ' ' ALA . 90.2 m-85 -122.42 80.53 46.11 Favored Pre-proline 0 CA--C 1.545 0.755 0 CA-C-N 116.229 -0.441 . . . . 20.0 110.412 176.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.79 143.98 27.23 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.772 2.315 . . . . 20.0 112.588 -176.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 51.0 t -79.63 143.4 34.72 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.953 -0.567 . . . . 20.0 110.65 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -77.64 -37.23 50.48 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-O 120.849 0.357 . . . . 20.0 110.839 176.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -83.16 -24.06 32.67 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 115.893 -0.594 . . . . 20.0 111.795 -169.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.1 p -145.02 172.91 12.39 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-O 120.824 0.345 . . . . 20.0 110.767 175.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -82.87 9.99 8.75 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 112.22 0.452 . . . . 20.0 112.22 -169.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -70.31 149.9 46.9 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 120.87 0.366 . . . . 20.0 111.328 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 16.1 t -128.62 134.79 63.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 115.7 -0.682 . . . . 20.0 110.298 169.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -113.52 153.07 45.83 Favored Pre-proline 0 CA--C 1.543 0.711 0 CA-C-N 116.233 -0.439 . . . . 20.0 110.686 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -83.4 -5.07 11.0 Favored 'Trans proline' 0 CA--C 1.552 1.387 0 C-N-CA 122.934 2.423 . . . . 20.0 112.926 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.5 mp -131.51 142.56 49.98 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.549 0.34 . . . . 20.0 110.289 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . 0.414 ' HB2' ' CE1' ' A' ' 522' ' ' TYR . . . -64.76 -43.54 92.99 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.623 0.249 . . . . 20.0 111.037 178.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -62.78 -38.21 89.72 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.548 -0.296 . . . . 20.0 110.92 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -61.74 -39.41 91.5 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.799 -0.182 . . . . 20.0 110.777 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -62.03 -52.09 65.35 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.586 -0.279 . . . . 20.0 110.439 173.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 37.3 m -55.63 -52.09 64.99 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.603 -0.271 . . . . 20.0 111.248 -177.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -61.74 -39.04 90.18 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-O 120.451 0.167 . . . . 20.0 111.107 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -62.88 -44.99 94.64 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 120.768 0.318 . . . . 20.0 110.698 176.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -68.21 -26.3 65.64 Favored 'General case' 0 CA--C 1.554 1.13 0 O-C-N 122.293 -0.255 . . . . 20.0 111.007 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 3.6 mt -64.97 -30.56 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-O 120.543 0.211 . . . . 20.0 110.655 171.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -71.63 -28.08 63.54 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 116.717 -0.22 . . . . 20.0 110.864 174.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -77.0 -41.82 41.24 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-O 120.5 0.191 . . . . 20.0 110.982 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 58.4 p -79.06 -19.78 50.48 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 116.805 -0.179 . . . . 20.0 111.345 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 78.56 17.15 78.16 Favored Glycine 0 CA--C 1.544 1.893 0 C-N-CA 121.506 -0.378 . . . . 20.0 112.664 177.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -60.37 109.43 1.0 Allowed 'General case' 0 CA--C 1.553 1.091 0 CA-C-O 120.902 0.382 . . . . 20.0 111.133 -176.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -91.86 90.51 7.5 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.074 0.464 . . . . 20.0 110.234 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 11.6 mtp85 -83.91 -31.87 25.44 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 115.561 -0.745 . . . . 20.0 111.888 -169.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -91.79 98.97 11.94 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.515 -0.311 . . . . 20.0 110.858 -169.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -90.21 123.23 33.85 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 120.872 0.368 . . . . 20.0 110.948 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 34.0 t -79.42 100.07 7.48 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.157 -0.474 . . . . 20.0 110.585 176.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.64 -14.82 34.29 Favored 'General case' 0 CA--C 1.558 1.272 0 N-CA-C 111.995 0.369 . . . . 20.0 111.995 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.04 -50.06 17.73 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-O 120.438 0.161 . . . . 20.0 111.297 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 28.7 p -120.08 -5.24 10.02 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 111.87 0.322 . . . . 20.0 111.87 -175.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 91.69 -6.85 79.96 Favored Glycine 0 CA--C 1.551 2.336 0 C-N-CA 121.543 -0.361 . . . . 20.0 113.339 174.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -76.32 134.69 39.66 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 117.303 0.551 . . . . 20.0 111.032 -175.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 61.6 m -105.51 148.62 27.02 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 116.478 -0.328 . . . . 20.0 110.994 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -128.61 158.58 38.1 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.323 -0.399 . . . . 20.0 111.109 -177.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.9 tt -77.07 -24.87 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 CA-C-N 116.195 -0.457 . . . . 20.0 111.696 -173.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 48.4 p30 -152.1 169.97 21.09 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 121.027 0.442 . . . . 20.0 111.114 -175.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -64.67 -36.87 85.68 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.871 -0.604 . . . . 20.0 111.165 -177.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -59.66 -47.04 87.2 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.545 -0.298 . . . . 20.0 111.123 -174.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -67.44 -45.21 76.69 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.652 -0.249 . . . . 20.0 110.806 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 14.5 ttp -57.32 -48.43 78.97 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 120.759 0.314 . . . . 20.0 111.008 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 35.0 t -63.9 -48.44 76.61 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.409 -0.36 . . . . 20.0 110.981 -177.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 25.9 t -57.29 -41.53 79.97 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.508 -0.315 . . . . 20.0 110.813 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -64.79 -49.19 71.67 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 116.364 -0.38 . . . . 20.0 111.304 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 83.3 mt -63.23 -39.99 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-O 120.609 0.242 . . . . 20.0 110.653 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -68.19 -40.22 82.27 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.649 -0.25 . . . . 20.0 111.198 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 36.6 m -82.18 -34.85 28.85 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 111.75 0.278 . . . . 20.0 111.75 -173.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 74.5 t -97.98 -45.23 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 CA-C-N 116.817 -0.174 . . . . 20.0 111.377 -171.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -100.15 -5.23 28.1 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-N 116.707 -0.224 . . . . 20.0 111.257 -175.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 39.3 m 56.03 36.5 27.49 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.693 0.397 . . . . 20.0 111.367 176.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -128.69 159.79 34.52 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.973 0.416 . . . . 20.0 111.01 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -95.45 118.6 66.18 Favored Pre-proline 0 CA--C 1.552 1.046 0 CA-C-N 115.999 -0.546 . . . . 20.0 110.325 175.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -66.86 -23.92 47.09 Favored 'Trans proline' 0 CA--C 1.548 1.207 0 C-N-CA 122.465 2.11 . . . . 20.0 112.361 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 7.8 t -88.44 4.89 44.83 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 116.403 -0.362 . . . . 20.0 110.987 174.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -75.76 -153.47 4.32 Favored Glycine 0 CA--C 1.539 1.59 0 N-CA-C 112.115 -0.394 . . . . 20.0 112.115 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -110.3 29.52 7.61 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-O 120.67 0.271 . . . . 20.0 111.328 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 70.0 m -102.51 -39.68 7.01 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 116.687 -0.233 . . . . 20.0 111.04 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt 59.65 73.55 0.48 Allowed 'General case' 0 N--CA 1.499 2.018 0 CA-C-O 121.188 0.518 . . . . 20.0 110.605 -175.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 3.3 mt -99.2 14.35 29.76 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.663 -0.699 . . . . 20.0 111.617 -170.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -141.56 153.22 44.7 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.037 0.446 . . . . 20.0 111.264 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -126.15 128.4 47.23 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.726 -0.67 . . . . 20.0 110.044 173.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -101.43 109.49 21.33 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.909 0.385 . . . . 20.0 110.643 -177.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -88.07 151.84 49.85 Favored Pre-proline 0 CA--C 1.553 1.06 0 CA-C-N 116.02 -0.536 . . . . 20.0 110.812 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -61.3 162.28 20.71 Favored 'Trans proline' 0 CA--C 1.547 1.143 0 C-N-CA 122.579 2.186 . . . . 20.0 112.38 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 35.5 t -92.63 127.74 38.23 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.206 -0.452 . . . . 20.0 110.332 173.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -121.25 -18.27 7.43 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 116.591 -0.277 . . . . 20.0 111.575 -175.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 20.7 p -70.45 -19.99 62.92 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 116.667 -0.242 . . . . 20.0 111.587 -177.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.1 pp -142.12 162.5 35.32 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 120.749 0.309 . . . . 20.0 110.811 176.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -82.68 119.49 24.36 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 121.021 0.438 . . . . 20.0 111.523 -170.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 22.3 pt -143.35 168.61 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 CA-C-N 115.743 -0.662 . . . . 20.0 110.222 173.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . 0.43 HH22 " H1'" ' E' ' 27' ' ' ' DG' . 21.6 ptt180 -69.93 137.25 51.39 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 109.98 -0.378 . . . . 20.0 109.98 170.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -110.63 93.43 4.48 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.593 -172.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -57.95 146.55 31.97 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.957 -0.565 . . . . 20.0 110.857 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.71 -14.88 63.07 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 116.276 -0.42 . . . . 20.0 111.935 -175.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -80.06 -22.36 42.39 Favored 'General case' 0 CA--C 1.552 1.057 0 O-C-N 122.492 -0.13 . . . . 20.0 111.053 177.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.9 -35.6 20.43 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 120.832 0.349 . . . . 20.0 110.324 169.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.83 1.41 20.44 Favored 'General case' 0 CA--C 1.559 1.291 0 CA-C-N 116.043 -0.526 . . . . 20.0 111.493 -176.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -63.55 164.44 9.5 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-O 120.971 0.415 . . . . 20.0 111.156 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -116.16 125.58 52.5 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 116.119 -0.491 . . . . 20.0 110.713 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 11.0 m . . . . . 0 N--CA 1.482 1.138 0 CA-C-N 116.238 -0.437 . . . . 20.0 110.61 178.506 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.177 0 O5'-C5'-C4' 114.473 3.052 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.643 0 C5'-C4'-C3' 110.269 -2.954 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.525 0 O5'-C5'-C4' 114.109 2.792 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.488 0 O5'-C5'-C4' 115.202 3.573 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.295 0 C1'-O4'-C4' 105.399 -3.072 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.453 0 O4'-C4'-C3' 108.633 3.033 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.543 0 O5'-C5'-C4' 114.738 3.241 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 0 P-O3'-C3' 123.628 3.273 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.111 2 C3'-C2'-C1' 96.243 -4.612 . . . . 20.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.139 0 O3'-P-O5' 98.461 -2.915 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.345 0 P-O3'-C3' 123.59 3.242 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.074 0 P-O3'-C3' 122.932 2.693 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.359 0 P-O3'-C3' 123.233 2.944 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.506 0 P-O3'-C3' 124.191 3.742 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.576 0 O5'-C5'-C4' 114.236 2.883 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.461 0 O4'-C4'-C3' 108.402 2.802 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.355 0 O5'-C5'-C4' 114.925 3.375 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.178 0 O4'-C4'-C3' 108.888 3.288 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.273 0 C1'-O4'-C4' 105.876 -2.731 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.583 0 C1'-O4'-C4' 105.937 -2.688 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.637 0 O5'-C5'-C4' 114.076 2.769 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.366 0 P-O3'-C3' 122.937 2.698 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.571 0 P-O3'-C3' 123.249 2.958 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.515 0 O5'-C5'-C4' 114.425 3.018 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.799 0 P-O3'-C3' 124.181 3.734 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.806 0 O4'-C4'-C3' 108.38 2.78 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 27' ' ' ' DG' . . . . . 0.43 " H1'" HH22 ' A' ' 595' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 3.018 2 C3'-C2'-C1' 94.709 -5.708 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.704 0 O3'-P-O5' 98.728 -2.775 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 29' ' ' ' DC' . . . . . 0.442 ' N4 ' HH12 ' A' ' 511' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -2.683 0 C1'-O4'-C4' 106.6 -2.214 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.884 0 O5'-C5'-C4' 114.51 3.078 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.068 0 P-O3'-C3' 123.275 2.979 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.144 1 P-O3'-C3' 124.8 4.25 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.729 0 O5'-C5'-C4' 114.457 3.041 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.503 0 P-O3'-C3' 123.217 2.931 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.462 0 P-O3'-C3' 123.051 2.793 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.509 0 O4'-C4'-C3' 108.624 3.024 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.656 0 O4'-C4'-C3' 108.543 2.943 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.25 0 P-O3'-C3' 122.918 2.682 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.791 0 CA-C-O 120.876 0.369 . . . . 20.0 110.827 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -77.06 159.3 29.96 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.208 -0.451 . . . . 20.0 110.912 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -88.45 110.66 21.01 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 116.215 -0.448 . . . . 20.0 110.582 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -80.62 -179.98 7.48 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 116.103 -0.499 . . . . 20.0 110.867 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 15.0 tpt -138.97 79.96 1.76 Allowed 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 121.059 0.457 . . . . 20.0 111.036 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -145.07 49.74 1.26 Allowed 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 115.844 -0.616 . . . . 20.0 110.278 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 35.0 m -92.82 167.72 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 115.547 -0.751 . . . . 20.0 111.075 -175.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -83.17 155.82 23.55 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 116.151 -0.477 . . . . 20.0 110.791 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -140.78 157.3 45.6 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 116.193 -0.458 . . . . 20.0 110.848 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -124.45 37.51 4.39 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 121.133 0.492 . . . . 20.0 110.461 176.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 37.3 p30 -84.49 9.56 13.16 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.928 -0.578 . . . . 20.0 111.36 -175.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 483' ' ' HIS . . . . . 0.537 ' HB3' HD21 ' A' ' 509' ' ' LEU . 55.2 p-80 -161.31 177.24 10.35 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.981 0.419 . . . . 20.0 111.284 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -135.65 157.24 47.37 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.585 -0.734 . . . . 20.0 109.64 169.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -102.3 134.49 45.5 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.992 0.425 . . . . 20.0 110.965 -174.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 13.2 tp -135.37 118.0 15.97 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.838 -0.619 . . . . 20.0 110.238 -177.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 23.9 mt -87.63 123.46 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-O 120.941 0.4 . . . . 20.0 110.583 -178.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 38.2 t -137.8 129.08 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.787 -0.642 . . . . 20.0 110.116 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.45 37.22 22.18 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-O 120.874 0.368 . . . . 20.0 111.177 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.33 2.42 87.5 Favored Glycine 0 CA--C 1.55 2.248 0 C-N-CA 121.518 -0.372 . . . . 20.0 112.908 177.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -111.61 137.38 49.55 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.476 0.31 . . . . 20.0 110.656 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 89.7 t -80.21 119.15 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 116.56 -0.291 . . . . 20.0 110.284 174.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -101.42 150.97 22.49 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.204 -0.453 . . . . 20.0 110.305 172.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -116.38 122.34 44.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 20.0 109.985 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.8 mt -116.3 126.79 73.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-O 120.833 0.349 . . . . 20.0 110.965 -171.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 8.5 t -63.21 136.12 57.53 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 116.204 -0.453 . . . . 20.0 110.614 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 21.1 pt -68.42 -40.31 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 CA-C-N 116.58 -0.282 . . . . 20.0 111.598 -176.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 47.4 t -60.93 -64.71 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 111.955 0.354 . . . . 20.0 111.955 -176.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 27.7 p -105.19 -4.32 21.9 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 112.487 0.551 . . . . 20.0 112.487 -169.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 59.7 35.54 22.3 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 122.619 0.367 . . . . 20.0 111.954 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -76.84 129.85 36.81 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 109.873 -0.418 . . . . 20.0 109.873 169.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 36.4 p -93.28 145.96 24.06 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.955 0.407 . . . . 20.0 111.233 -175.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -138.48 141.81 39.43 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.867 -0.606 . . . . 20.0 111.016 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 55.0 t -79.0 -19.69 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 116.04 -0.527 . . . . 20.0 110.825 175.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 86.2 m -125.64 164.32 20.84 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 120.972 0.415 . . . . 20.0 110.865 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 20.7 mt -86.95 -33.56 19.63 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.103 -0.499 . . . . 20.0 110.657 173.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 24.8 p -58.33 -43.55 88.27 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 116.676 -0.238 . . . . 20.0 111.236 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 5.7 p -66.22 -37.67 86.09 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 116.529 -0.305 . . . . 20.0 111.03 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 483' ' ' HIS . 3.3 tp -64.35 -47.37 79.57 Favored 'General case' 0 CA--C 1.552 1.058 0 CA-C-N 116.618 -0.265 . . . . 20.0 111.06 177.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 7.4 mmm-85 -59.79 -46.98 87.51 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 120.872 0.368 . . . . 20.0 110.312 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -53.39 -48.62 68.48 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.878 -0.601 . . . . 20.0 110.746 174.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -63.99 -42.82 97.08 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-N 116.282 -0.417 . . . . 20.0 111.279 -176.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.25 -24.52 64.95 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 111.545 0.202 . . . . 20.0 111.545 -175.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -20.11 62.87 Favored 'General case' 0 CA--C 1.561 1.369 0 CA-C-O 120.515 0.198 . . . . 20.0 111.151 176.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 33.5 mt -79.49 -20.01 12.5 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 CA-C-O 120.638 0.256 . . . . 20.0 110.905 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -94.46 -40.8 9.71 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.62 0.248 . . . . 20.0 110.932 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 87.3 p -83.11 -32.66 26.6 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.423 -0.353 . . . . 20.0 111.363 -176.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 52.1 m95 49.22 37.5 11.31 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 121.169 0.509 . . . . 20.0 110.685 -171.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.21 -30.94 71.5 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.77 -0.65 . . . . 20.0 111.194 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -128.43 131.31 48.43 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.389 -0.369 . . . . 20.0 110.463 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -95.01 142.84 27.03 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.172 -0.467 . . . . 20.0 110.531 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' TYR . . . . . 0.4 ' CE1' ' HB2' ' A' ' 534' ' ' ALA . 92.2 m-85 -123.07 79.73 51.43 Favored Pre-proline 0 CA--C 1.543 0.706 0 CA-C-N 116.22 -0.446 . . . . 20.0 110.265 172.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.94 142.2 17.29 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.808 2.339 . . . . 20.0 112.586 -177.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 41.0 t -77.51 145.35 37.04 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.905 -0.589 . . . . 20.0 110.37 173.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -85.08 -29.31 25.0 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 120.699 0.285 . . . . 20.0 111.114 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -83.2 -27.81 29.73 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 116.349 -0.387 . . . . 20.0 111.618 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.2 p -138.82 162.55 34.48 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 120.728 0.299 . . . . 20.0 110.633 175.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -80.36 28.85 0.3 Allowed 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 116.569 -0.287 . . . . 20.0 111.701 -173.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -87.58 146.71 25.64 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.42 0.288 . . . . 20.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 10.1 t -123.58 136.54 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 CA-C-N 116.178 -0.464 . . . . 20.0 110.725 173.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -109.37 150.1 40.66 Favored Pre-proline 0 CA--C 1.54 0.593 0 CA-C-N 115.938 -0.574 . . . . 20.0 110.506 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -82.26 -5.39 11.93 Favored 'Trans proline' 0 CA--C 1.549 1.249 0 C-N-CA 122.815 2.344 . . . . 20.0 112.506 176.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . 0.4 HD22 ' CZ ' ' A' ' 536' ' ' TYR . 6.9 mp -132.78 144.47 50.27 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.716 0.406 . . . . 20.0 110.425 -178.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . 0.4 ' HB2' ' CE1' ' A' ' 522' ' ' TYR . . . -68.76 -44.03 74.57 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 116.479 -0.328 . . . . 20.0 111.371 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -62.47 -39.22 92.75 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.713 -0.221 . . . . 20.0 110.803 -177.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' TYR . . . . . 0.4 ' CZ ' HD22 ' A' ' 533' ' ' LEU . 11.9 m-30 -62.65 -39.07 92.72 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.641 -0.254 . . . . 20.0 110.609 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . 0.478 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -56.65 -54.3 47.71 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.337 -0.392 . . . . 20.0 110.217 172.441 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . 0.478 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 48.1 m -58.54 -53.97 52.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.782 -0.644 . . . . 20.0 111.115 -173.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -63.06 -34.24 77.15 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 116.739 -0.209 . . . . 20.0 110.889 -176.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -67.23 -46.02 75.05 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-O 120.718 0.294 . . . . 20.0 110.986 174.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.83 -30.82 70.31 Favored 'General case' 0 CA--C 1.55 0.954 0 O-C-N 122.299 -0.25 . . . . 20.0 110.999 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 22.5 mt -62.27 -29.02 45.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-O 120.868 0.366 . . . . 20.0 110.558 171.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.66 -27.55 61.31 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 116.263 -0.426 . . . . 20.0 110.957 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -78.01 -41.65 35.14 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-O 120.525 0.202 . . . . 20.0 111.015 176.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 80.4 p -77.82 -18.99 55.73 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 116.798 -0.183 . . . . 20.0 111.351 -177.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 76.75 17.06 80.23 Favored Glycine 0 CA--C 1.542 1.726 0 C-N-CA 121.549 -0.358 . . . . 20.0 112.534 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.36 98.89 0.37 Allowed 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 120.959 0.409 . . . . 20.0 111.173 -174.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 75.6 mtt-85 -85.64 94.12 9.0 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 121.007 0.432 . . . . 20.0 110.3 176.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -90.88 -27.05 19.04 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 115.627 -0.715 . . . . 20.0 111.929 -169.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -91.74 89.81 7.26 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.882 0.372 . . . . 20.0 110.706 -173.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -80.66 128.8 34.03 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.263 -0.426 . . . . 20.0 110.853 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 24.6 t -86.43 107.64 18.14 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.442 -0.344 . . . . 20.0 110.421 174.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 26.6 mt -68.2 -17.13 64.24 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 116.727 -0.215 . . . . 20.0 111.563 -177.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.15 -50.15 17.21 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-O 120.479 0.181 . . . . 20.0 111.369 -175.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 26.3 p -118.89 -12.89 9.53 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 111.77 0.285 . . . . 20.0 111.77 -175.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 102.62 -13.36 56.61 Favored Glycine 0 CA--C 1.549 2.167 0 C-N-CA 121.642 -0.313 . . . . 20.0 113.08 174.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -72.26 130.22 40.28 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 117.134 0.467 . . . . 20.0 111.106 -173.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 53.3 m -101.77 143.02 32.21 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 120.805 0.336 . . . . 20.0 110.839 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -122.37 157.27 32.2 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.217 -0.447 . . . . 20.0 111.045 -176.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.2 tt -82.4 -23.22 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 116.196 -0.456 . . . . 20.0 111.765 -170.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 34.2 p30 -152.85 171.38 18.36 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 120.982 0.42 . . . . 20.0 111.15 -176.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -62.02 -41.57 98.22 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.891 -0.595 . . . . 20.0 111.219 -178.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.8 mp0 -56.97 -44.54 82.74 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.586 -0.279 . . . . 20.0 111.031 -173.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -69.42 -46.66 66.29 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.563 -0.29 . . . . 20.0 110.932 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 29.2 ttp -58.56 -52.01 67.47 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 120.667 0.27 . . . . 20.0 111.193 -178.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 12.0 t -63.6 -42.68 98.22 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.6 -0.273 . . . . 20.0 110.775 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 28.6 t -58.92 -42.69 90.28 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.813 0.34 . . . . 20.0 110.794 175.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 43.6 t60 -66.49 -46.64 75.64 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 116.365 -0.38 . . . . 20.0 111.193 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 78.3 mt -63.43 -40.17 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-O 120.474 0.178 . . . . 20.0 110.664 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -67.56 -41.24 84.53 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.808 -0.178 . . . . 20.0 111.316 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 29.6 p -83.72 -32.02 25.73 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 111.752 0.278 . . . . 20.0 111.752 -173.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 76.0 t -99.07 -47.99 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 CA-C-O 120.511 0.196 . . . . 20.0 111.387 -173.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -100.16 -15.57 18.1 Favored 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 116.562 -0.29 . . . . 20.0 111.52 -173.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 96.2 p 53.17 33.25 14.83 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 122.961 0.504 . . . . 20.0 111.62 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -113.71 171.76 7.39 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 116.317 -0.402 . . . . 20.0 111.117 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -103.87 112.95 65.76 Favored Pre-proline 0 CA--C 1.561 1.395 0 CA-C-N 116.13 -0.487 . . . . 20.0 111.127 -175.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -88.71 0.4 6.42 Favored 'Trans proline' 0 CA--C 1.566 2.111 0 C-N-CA 123.178 2.585 . . . . 20.0 113.217 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 34.9 t -52.75 -30.2 31.31 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 112.51 0.559 . . . . 20.0 112.51 -169.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -128.65 -166.6 12.01 Favored Glycine 0 N--CA 1.481 1.643 0 N-CA-C 111.305 -0.718 . . . . 20.0 111.305 173.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -75.49 79.89 2.52 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 121.179 0.514 . . . . 20.0 110.562 177.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 73.2 m -84.16 0.58 48.06 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.834 -0.621 . . . . 20.0 111.213 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 62.81 45.03 5.93 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 122.955 0.502 . . . . 20.0 110.804 -173.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 37.5 mt -118.15 -24.73 6.88 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 115.832 -0.622 . . . . 20.0 111.204 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -148.38 157.82 43.72 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.758 0.313 . . . . 20.0 110.795 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -136.87 129.13 29.78 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.2 -0.455 . . . . 20.0 110.452 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.1 tt -94.2 110.17 21.92 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.312 -0.404 . . . . 20.0 110.565 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -84.8 153.87 61.02 Favored Pre-proline 0 CA--C 1.551 1.009 0 CA-C-N 116.253 -0.431 . . . . 20.0 110.741 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -64.72 156.04 63.72 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 122.385 2.057 . . . . 20.0 112.366 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 49.0 t -89.77 128.49 36.14 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.15 -0.477 . . . . 20.0 110.481 174.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -125.17 -20.08 4.97 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 116.41 -0.359 . . . . 20.0 111.651 -175.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 30.1 p -67.95 -25.79 65.63 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 111.79 0.293 . . . . 20.0 111.79 -175.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.8 pp -139.78 162.38 35.27 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 120.863 0.363 . . . . 20.0 111.026 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -87.02 108.37 18.83 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 116.083 -0.508 . . . . 20.0 111.559 -170.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 33.9 pt -143.7 169.72 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-N 115.9 -0.591 . . . . 20.0 109.984 170.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . 0.467 HH22 " H1'" ' E' ' 27' ' ' ' DG' . 12.1 ptt180 -75.32 145.2 41.96 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.822 -0.436 . . . . 20.0 109.822 171.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -129.32 120.59 25.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.057 0.456 . . . . 20.0 110.85 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -59.05 145.83 40.64 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.631 -0.713 . . . . 20.0 110.648 177.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -68.06 -9.95 50.0 Favored 'General case' 0 CA--C 1.555 1.144 0 N-CA-C 111.956 0.354 . . . . 20.0 111.956 -171.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -77.56 -15.62 59.14 Favored 'General case' 0 CA--C 1.556 1.206 0 O-C-N 122.329 -0.232 . . . . 20.0 110.909 174.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -90.0 -30.24 17.9 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 120.949 0.404 . . . . 20.0 110.104 169.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 58.1 m -76.67 -5.18 46.83 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 115.911 -0.586 . . . . 20.0 111.958 -172.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -126.79 133.25 50.85 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 120.803 0.335 . . . . 20.0 110.904 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -139.08 134.04 32.39 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 116.072 -0.513 . . . . 20.0 110.572 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 N--CA 1.48 1.04 0 CA-C-N 116.148 -0.478 . . . . 20.0 110.904 179.155 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.11 0 O5'-C5'-C4' 114.082 2.773 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.6 0 O4'-C4'-C3' 108.576 2.976 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.49 0 O5'-C5'-C4' 114.077 2.769 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.485 0 O5'-C5'-C4' 115.243 3.602 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.529 0 P-O3'-C3' 123.359 3.049 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.107 0 O4'-C4'-C3' 108.8 3.2 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.89 0 O4'-C4'-C3' 109.508 3.908 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.813 0 O4'-C4'-C3' 109.185 3.585 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.185 0 C3'-C2'-C1' 97.114 -3.99 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.449 0 C5'-C4'-C3' 110.331 -2.913 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.279 0 P-O3'-C3' 123.618 3.265 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.254 0 P-O3'-C3' 122.756 2.547 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.409 0 P-O3'-C3' 123.539 3.199 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.468 0 P-O3'-C3' 124.02 3.6 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.45 0 O4'-C4'-C3' 108.414 2.814 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.38 0 O4'-C4'-C3' 108.367 2.767 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.28 0 O4'-C4'-C3' 108.76 3.16 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.846 0 O5'-C5'-C4' 114.158 2.827 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.26 0 P-O3'-C3' 123.298 2.998 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.524 0 C1'-O4'-C4' 106.19 -2.507 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.65 0 O4'-C4'-C3' 108.191 2.591 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.254 0 P-O3'-C3' 122.932 2.693 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.77 0 O4'-C4'-C3' 108.596 2.996 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.053 0 C1'-O4'-C4' 104.898 -3.43 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.837 0 O5'-C5'-C4' 114.405 3.004 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.129 0 P-O3'-C3' 123.277 2.981 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 27' ' ' ' DG' . . . . . 0.467 " H1'" HH22 ' A' ' 595' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.341 2 C3'-C2'-C1' 95.449 -5.179 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.409 -1.659 0 O3'-P-O5' 98.563 -2.862 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.577 -2.522 0 C1'-O4'-C4' 105.858 -2.744 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.546 4.409 0 O5'-C5'-C4' 115.455 3.753 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 0 O4'-C4'-C3' 108.57 2.97 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.101 0 P-O3'-C3' 124.198 3.748 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.649 0 O5'-C5'-C4' 114.827 3.305 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.478 0 P-O3'-C3' 123.185 2.905 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.632 0 P-O3'-C3' 123.227 2.939 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.591 0 O4'-C4'-C3' 108.691 3.091 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.525 0 O4'-C4'-C3' 108.634 3.034 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.237 0 P-O3'-C3' 122.871 2.642 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.81 0 CA-C-O 120.817 0.341 . . . . 20.0 110.604 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -159.26 173.45 16.32 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 116.199 -0.455 . . . . 20.0 110.505 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -82.94 131.11 35.2 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.306 -0.407 . . . . 20.0 110.694 178.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -104.95 114.72 29.09 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 116.127 -0.488 . . . . 20.0 110.274 177.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 20.4 mmt -145.03 129.88 18.25 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 116.454 -0.339 . . . . 20.0 110.853 -177.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.81 49.98 1.37 Allowed 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 116.117 -0.492 . . . . 20.0 110.303 176.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 23.5 m -134.7 151.55 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-N 116.159 -0.473 . . . . 20.0 111.281 -173.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -73.4 162.7 29.01 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 115.917 -0.583 . . . . 20.0 110.913 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -132.43 154.17 50.12 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.884 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -135.87 35.32 2.86 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-O 121.317 0.579 . . . . 20.0 110.082 175.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -95.0 12.42 28.51 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.572 -0.74 . . . . 20.0 111.37 -172.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 483' ' ' HIS . . . . . 0.49 ' HB3' HD21 ' A' ' 509' ' ' LEU . 50.7 p-80 -160.93 176.34 11.53 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 120.891 0.377 . . . . 20.0 111.165 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -136.51 158.15 45.1 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.82 -0.627 . . . . 20.0 110.09 169.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -99.04 136.44 39.0 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.881 0.372 . . . . 20.0 110.831 -177.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.3 tp -134.01 114.6 13.39 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.018 -0.537 . . . . 20.0 110.313 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 29.6 mt -85.76 123.52 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 120.912 0.387 . . . . 20.0 110.541 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 50.0 t -135.71 124.6 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 115.858 -0.61 . . . . 20.0 110.162 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 37.1 t0 50.71 40.48 24.28 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-O 121.076 0.465 . . . . 20.0 111.041 -178.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.15 -23.28 11.63 Favored Glycine 0 CA--C 1.549 2.192 0 CA-C-N 116.162 -0.472 . . . . 20.0 112.94 176.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -87.04 137.35 32.42 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 116.904 0.352 . . . . 20.0 111.04 -177.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 92.5 t -80.58 122.83 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 116.503 -0.317 . . . . 20.0 110.149 171.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -105.03 153.99 20.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.261 -0.427 . . . . 20.0 110.176 172.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -118.0 123.19 45.11 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.266 -0.424 . . . . 20.0 110.119 178.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.3 mt -115.5 129.17 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-O 120.832 0.349 . . . . 20.0 111.14 -170.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 7.4 t -65.82 136.03 55.64 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.168 -0.469 . . . . 20.0 110.611 177.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 29.3 pt -68.53 -39.82 81.13 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 CA-C-N 116.626 -0.261 . . . . 20.0 111.58 -176.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 43.3 t -61.1 -65.02 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 N-CA-C 112.125 0.417 . . . . 20.0 112.125 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 29.7 p -105.05 -5.87 20.49 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 112.614 0.598 . . . . 20.0 112.614 -169.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 60.45 37.7 19.69 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 111.964 0.357 . . . . 20.0 111.964 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -78.44 131.6 36.97 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 109.845 -0.428 . . . . 20.0 109.845 169.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 24.6 p -94.28 143.23 26.57 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 120.916 0.389 . . . . 20.0 111.142 -176.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -135.01 142.82 46.51 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.85 -0.614 . . . . 20.0 110.968 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 72.3 t -80.92 -19.32 11.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-N 116.0 -0.545 . . . . 20.0 110.718 175.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 75.3 m -133.56 134.15 42.99 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.834 0.35 . . . . 20.0 111.065 -178.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 17.2 mt -57.67 -34.88 69.86 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 116.328 -0.396 . . . . 20.0 111.149 177.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 27.8 p -56.97 -38.88 73.62 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-O 120.513 0.197 . . . . 20.0 111.076 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 13.6 m -66.63 -42.89 86.04 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.559 -0.291 . . . . 20.0 110.968 175.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.49 HD21 ' HB3' ' A' ' 483' ' ' HIS . 2.1 tp -61.64 -47.44 85.41 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 116.324 -0.398 . . . . 20.0 110.902 179.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 51.5 mmm-85 -64.39 -44.17 92.15 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 120.611 0.243 . . . . 20.0 110.617 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 511' ' ' ARG . . . . . 0.435 ' HD3' ' H72' ' D' ' 9' ' ' ' DT' . 11.8 ttm180 -52.51 -45.59 66.3 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 116.126 -0.488 . . . . 20.0 110.674 171.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -70.63 -42.52 70.8 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-N 116.116 -0.493 . . . . 20.0 111.347 -176.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -59.56 -25.28 64.43 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 111.574 0.213 . . . . 20.0 111.574 -174.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -23.35 60.08 Favored 'General case' 0 CA--C 1.565 1.556 0 CA-C-N 116.782 -0.19 . . . . 20.0 111.129 175.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 34.5 mt -76.24 -23.37 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 122.555 0.342 . . . . 20.0 111.061 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -93.12 -43.9 8.63 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 120.735 0.303 . . . . 20.0 111.026 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 82.3 p -78.83 -31.99 46.03 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.311 -0.404 . . . . 20.0 111.401 -174.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 55.3 m95 50.06 34.17 7.91 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 121.301 0.572 . . . . 20.0 110.588 -169.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -59.86 -34.55 73.28 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.698 -0.683 . . . . 20.0 110.917 176.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -136.5 122.85 20.64 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.002 -0.545 . . . . 20.0 110.354 -175.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -94.7 144.02 25.96 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.311 -0.404 . . . . 20.0 110.583 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -122.51 79.85 46.77 Favored Pre-proline 0 CA--C 1.548 0.898 0 CA-C-N 116.026 -0.534 . . . . 20.0 110.116 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.07 146.22 22.68 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.735 2.29 . . . . 20.0 112.879 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 41.1 t -78.63 142.41 37.24 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 115.746 -0.661 . . . . 20.0 110.617 175.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -80.97 -31.12 34.97 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 120.617 0.246 . . . . 20.0 111.159 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -84.27 -25.82 29.08 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-N 116.43 -0.35 . . . . 20.0 111.826 -173.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 13.7 p -144.22 175.13 10.3 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 120.708 0.289 . . . . 20.0 111.016 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -82.25 6.13 17.75 Favored 'General case' 0 CA--C 1.564 1.482 0 N-CA-C 112.16 0.43 . . . . 20.0 112.16 -170.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -65.2 141.65 58.58 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.741 0.305 . . . . 20.0 111.258 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 19.2 t -123.59 129.37 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 115.84 -0.618 . . . . 20.0 109.86 169.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -104.87 149.43 37.53 Favored Pre-proline 0 CA--C 1.541 0.633 0 CA-C-N 116.271 -0.422 . . . . 20.0 110.485 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -81.95 -7.0 12.3 Favored 'Trans proline' 0 CA--C 1.554 1.5 0 C-N-CA 122.897 2.398 . . . . 20.0 112.737 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 9.4 mp -131.6 146.92 52.45 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.628 0.371 . . . . 20.0 110.176 177.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -65.41 -46.56 79.49 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 120.722 0.296 . . . . 20.0 111.15 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -63.04 -37.7 88.24 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.452 -0.34 . . . . 20.0 111.188 -177.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -60.64 -40.42 91.93 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 120.581 0.229 . . . . 20.0 110.551 177.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -62.65 -49.06 76.66 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.511 -0.313 . . . . 20.0 110.412 174.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 31.1 m -52.5 -56.34 15.81 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.501 -0.318 . . . . 20.0 111.155 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -67.45 -29.94 69.53 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.693 -0.23 . . . . 20.0 110.913 -173.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -67.39 -43.85 80.35 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-O 120.649 0.262 . . . . 20.0 110.791 171.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -68.34 -29.82 68.64 Favored 'General case' 0 CA--C 1.552 1.045 0 O-C-N 122.303 -0.248 . . . . 20.0 111.127 -179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 21.1 mt -63.41 -27.96 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 CA-C-O 120.824 0.345 . . . . 20.0 110.727 170.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -72.54 -26.41 61.74 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 116.308 -0.405 . . . . 20.0 110.853 175.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -79.67 -45.97 18.03 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 116.616 -0.266 . . . . 20.0 111.109 175.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 58.2 p -68.92 -32.6 72.34 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 120.612 0.244 . . . . 20.0 110.799 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 85.7 13.99 68.76 Favored Glycine 0 CA--C 1.537 1.463 0 CA-C-N 116.352 -0.385 . . . . 20.0 112.414 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -63.41 119.44 9.73 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 120.756 0.312 . . . . 20.0 111.181 -176.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.56 147.94 33.56 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 116.238 -0.437 . . . . 20.0 110.206 171.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -136.18 -38.05 0.7 Allowed 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 116.449 -0.341 . . . . 20.0 111.772 -177.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -98.51 115.09 27.81 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 120.634 0.254 . . . . 20.0 110.786 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -105.82 127.93 53.42 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 120.822 0.344 . . . . 20.0 110.639 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 43.4 t -66.21 143.89 56.96 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.213 -0.448 . . . . 20.0 109.96 171.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 86.5 mt -100.4 -15.95 17.77 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 120.493 0.187 . . . . 20.0 111.275 -178.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.01 -49.43 19.86 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-O 120.541 0.21 . . . . 20.0 111.184 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 31.9 p -120.02 -2.11 10.29 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 112.072 0.397 . . . . 20.0 112.072 -174.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 79.99 0.41 85.43 Favored Glycine 0 CA--C 1.556 2.618 0 C-N-CA 120.948 -0.644 . . . . 20.0 113.4 172.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -71.91 139.52 48.79 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 117.3 0.55 . . . . 20.0 111.026 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 57.7 m -106.45 149.15 27.34 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-N 116.245 -0.434 . . . . 20.0 111.299 -176.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -133.58 159.0 41.76 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 116.035 -0.529 . . . . 20.0 111.122 -175.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 3.9 tt -84.92 -26.07 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 CA-C-N 116.085 -0.507 . . . . 20.0 111.573 -173.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -151.98 168.99 23.44 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-O 120.978 0.418 . . . . 20.0 111.018 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -69.96 -36.75 75.5 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.042 -0.527 . . . . 20.0 111.045 -172.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -59.27 -43.53 92.48 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 116.425 -0.352 . . . . 20.0 110.959 -175.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -70.85 -44.84 65.61 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 116.585 -0.28 . . . . 20.0 111.147 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -40.95 91.5 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-O 120.593 0.235 . . . . 20.0 111.008 -176.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 26.0 t -60.74 -48.21 82.81 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 120.72 0.295 . . . . 20.0 110.597 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 21.4 t -59.74 -40.38 87.89 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.344 -0.389 . . . . 20.0 111.054 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -62.31 -50.34 72.05 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.437 -0.347 . . . . 20.0 111.202 -178.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 70.7 mt -64.4 -38.93 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-O 120.642 0.258 . . . . 20.0 110.675 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -67.45 -44.26 79.09 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.445 -0.343 . . . . 20.0 111.167 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 46.5 p -80.62 -33.51 35.73 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 111.823 0.305 . . . . 20.0 111.823 -174.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 73.5 t -93.21 -48.14 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-O 120.558 0.218 . . . . 20.0 111.45 -172.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -100.08 -1.36 37.04 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 116.577 -0.283 . . . . 20.0 111.538 -172.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 44.4 m 54.15 35.82 23.35 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 122.571 0.349 . . . . 20.0 111.312 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -129.86 158.97 38.01 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.273 -0.421 . . . . 20.0 110.791 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -107.35 110.89 63.28 Favored Pre-proline 0 CA--C 1.552 1.028 0 CA-C-N 116.236 -0.438 . . . . 20.0 110.675 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -75.75 -15.08 19.34 Favored 'Trans proline' 0 CA--C 1.547 1.163 0 C-N-CA 122.666 2.244 . . . . 20.0 112.397 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 7.8 t -79.46 -13.08 59.82 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-N 116.498 -0.319 . . . . 20.0 111.141 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -80.77 -129.46 0.9 Allowed Glycine 0 CA--C 1.54 1.623 0 N-CA-C 112.125 -0.39 . . . . 20.0 112.125 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -120.05 29.69 7.39 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 120.833 0.349 . . . . 20.0 110.969 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 60.8 p -89.71 -43.76 10.49 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.529 -0.305 . . . . 20.0 111.182 -177.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 59.18 68.6 0.79 Allowed 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.199 0.524 . . . . 20.0 110.748 -176.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 12.5 mt -101.38 18.73 19.31 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 115.696 -0.684 . . . . 20.0 111.406 -175.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -148.0 163.27 37.38 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 120.855 0.36 . . . . 20.0 111.005 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -135.37 140.88 45.36 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.972 -0.558 . . . . 20.0 110.541 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -98.83 124.54 43.79 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.305 -0.407 . . . . 20.0 110.662 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -101.68 158.83 31.02 Favored Pre-proline 0 CA--C 1.555 1.152 0 CA-C-N 116.224 -0.443 . . . . 20.0 110.692 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.92 144.16 99.51 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 122.687 2.258 . . . . 20.0 112.685 -176.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 52.6 m -100.08 129.29 46.11 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.169 -0.469 . . . . 20.0 110.265 173.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -147.14 -1.06 0.67 Allowed 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.238 0.459 . . . . 20.0 112.238 -171.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 95.4 p -67.41 -20.43 65.53 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 120.58 0.229 . . . . 20.0 111.334 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.97 168.96 18.6 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.464 -0.335 . . . . 20.0 110.655 177.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -79.28 105.93 10.95 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.259 -0.428 . . . . 20.0 111.37 -172.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 27.9 pt -147.89 171.85 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 CA-C-N 115.831 -0.622 . . . . 20.0 110.041 170.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -80.94 147.47 30.27 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 110.163 -0.31 . . . . 20.0 110.163 172.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -125.88 118.78 26.19 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.898 0.38 . . . . 20.0 110.39 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -59.85 151.62 25.22 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.848 -0.614 . . . . 20.0 110.971 -177.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -64.1 -13.45 47.8 Favored 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 112.2 0.445 . . . . 20.0 112.2 -173.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -80.94 -13.61 58.74 Favored 'General case' 0 CA--C 1.557 1.236 0 O-C-N 122.432 -0.167 . . . . 20.0 111.129 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.31 -33.73 25.86 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 120.812 0.339 . . . . 20.0 110.175 169.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 1.5 t -74.08 0.29 14.24 Favored 'General case' 0 CA--C 1.56 1.334 0 CA-C-N 116.147 -0.479 . . . . 20.0 111.523 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -67.8 170.56 7.8 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 120.895 0.379 . . . . 20.0 111.035 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -139.07 156.63 47.04 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 116.29 -0.414 . . . . 20.0 111.044 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.486 1.33 0 CA-C-N 116.102 -0.499 . . . . 20.0 111.165 179.67 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.044 0 O5'-C5'-C4' 114.16 2.829 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.543 0 O4'-C4'-C3' 108.521 2.921 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.433 0 O5'-C5'-C4' 114.069 2.763 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.59 0 O4'-C4'-C3' 109.175 3.575 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.384 0 P-O3'-C3' 123.661 3.301 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 0 O5'-C5'-C4' 114.545 3.103 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.544 4.124 0 O4'-C4'-C3' 109.556 3.956 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.847 0 O4'-C4'-C3' 108.806 3.206 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.435 ' H72' ' HD3' ' A' ' 511' ' ' ARG . . . . . . . . 0 P--O5' 1.629 3.557 0 C3'-C2'-C1' 97.685 -3.582 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.209 0 C5'-C4'-C3' 109.617 -3.388 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.18 0 P-O3'-C3' 122.979 2.732 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.045 0 P-O3'-C3' 122.787 2.573 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.382 0 P-O3'-C3' 123.38 3.067 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.5 1 P-O3'-C3' 124.631 4.109 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.439 0 O4'-C4'-C3' 108.561 2.961 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.2 0 O5'-C5'-C4' 115.197 3.569 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.239 0 O4'-C4'-C3' 108.819 3.219 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.881 0 C1'-O4'-C4' 106.229 -2.479 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.426 0 P-O3'-C3' 122.697 2.497 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.623 0 C1'-O4'-C4' 106.146 -2.539 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.665 0 O4'-C4'-C3' 108.351 2.751 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.35 0 P-O3'-C3' 123.016 2.763 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.599 0 P-O3'-C3' 123.541 3.201 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.397 0 C1'-O4'-C4' 105.712 -2.849 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.719 0 O4'-C4'-C3' 108.633 3.033 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.615 0 P-O3'-C3' 123.802 3.418 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 27' ' ' ' DG' . . . . . 0.409 " H1'" ' C8 ' ' E' ' 28' ' ' ' DG' . . . . . . . . 0 P--O5' 1.628 3.5 0 C3'-C2'-C1' 97.397 -3.788 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 28' ' ' ' DG' . . . . . 0.409 ' C8 ' " H1'" ' E' ' 27' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.406 -1.96 0 C5'-C4'-C3' 109.331 -3.58 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.935 0 C1'-O4'-C4' 106.1 -2.571 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.544 0 O5'-C5'-C4' 115.564 3.831 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.818 0 P-O3'-C3' 123.371 3.059 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.621 2 O5'-C5'-C4' 116.344 4.389 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.188 0 O5'-C5'-C4' 115.523 3.802 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.465 0 P-O3'-C3' 123.25 2.958 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.551 0 P-O3'-C3' 123.243 2.952 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.629 0 O4'-C4'-C3' 108.612 3.012 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.619 0 O4'-C4'-C3' 108.604 3.004 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.288 0 P-O3'-C3' 122.95 2.708 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.819 0 CA-C-O 120.81 0.338 . . . . 20.0 110.757 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -77.05 154.1 33.73 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 116.279 -0.419 . . . . 20.0 110.851 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -147.92 163.03 38.07 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 116.311 -0.404 . . . . 20.0 110.981 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 85.9 mmt-85 -147.53 147.55 30.25 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 116.081 -0.509 . . . . 20.0 110.624 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 1.8 mmm -167.07 170.48 11.89 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 116.333 -0.394 . . . . 20.0 110.747 176.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -116.22 49.85 1.09 Allowed 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 116.171 -0.468 . . . . 20.0 110.402 175.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 5.8 m -79.29 141.11 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.908 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -70.24 149.24 47.66 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.675 175.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -103.98 147.41 27.4 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 116.067 -0.515 . . . . 20.0 110.758 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -90.92 16.36 9.62 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 116.286 -0.415 . . . . 20.0 111.474 -175.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 11.6 p30 -83.55 9.3 11.71 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 116.503 -0.317 . . . . 20.0 111.24 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 483' ' ' HIS . . . . . 0.461 ' HB3' HD21 ' A' ' 509' ' ' LEU . 56.5 p-80 -159.47 175.52 13.19 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.828 0.346 . . . . 20.0 111.01 177.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -138.02 156.84 47.41 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.97 -0.559 . . . . 20.0 110.446 171.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -96.83 140.86 30.77 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 120.863 0.363 . . . . 20.0 110.809 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.7 tp -139.02 113.24 8.76 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.059 -0.519 . . . . 20.0 110.324 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 30.5 mt -84.12 123.56 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-O 120.951 0.405 . . . . 20.0 110.55 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 44.9 t -137.16 129.05 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 115.772 -0.649 . . . . 20.0 110.114 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.41 36.12 19.2 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-O 120.904 0.383 . . . . 20.0 111.282 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.97 0.91 86.73 Favored Glycine 0 CA--C 1.55 2.23 0 CA-C-N 116.408 -0.36 . . . . 20.0 112.94 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 -108.36 136.04 48.65 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.485 0.314 . . . . 20.0 110.647 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 73.3 t -80.04 118.5 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-O 120.724 0.297 . . . . 20.0 110.315 174.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -100.2 155.77 17.57 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.23 -0.441 . . . . 20.0 110.236 171.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -120.48 125.66 48.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.209 -0.451 . . . . 20.0 110.029 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.3 mt -120.49 130.0 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.866 0.365 . . . . 20.0 111.176 -169.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 5.2 t -67.67 136.93 55.11 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 116.157 -0.474 . . . . 20.0 110.656 176.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 35.6 pt -67.62 -40.9 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 N-CA-C 111.712 0.264 . . . . 20.0 111.712 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 46.1 t -60.91 -64.46 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 112.002 0.371 . . . . 20.0 112.002 -175.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.2 p -105.15 -6.34 19.94 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 112.477 0.547 . . . . 20.0 112.477 -169.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 62.1 36.23 15.34 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 122.679 0.391 . . . . 20.0 111.871 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -73.51 126.35 30.04 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 109.969 -0.382 . . . . 20.0 109.969 169.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 34.6 p -95.52 143.6 26.7 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 120.872 0.368 . . . . 20.0 111.202 -177.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -136.7 143.77 43.56 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.921 -0.581 . . . . 20.0 111.162 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 72.3 t -79.33 -21.14 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-N 115.933 -0.576 . . . . 20.0 110.828 174.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 69.3 m -133.3 133.28 42.37 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 120.762 0.315 . . . . 20.0 110.994 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 24.0 mt -55.31 -32.61 62.6 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 116.384 -0.371 . . . . 20.0 110.935 175.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 29.3 p -56.43 -40.23 74.41 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.585 0.231 . . . . 20.0 111.163 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 19.6 m -67.82 -41.91 82.34 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.61 -0.268 . . . . 20.0 110.925 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 483' ' ' HIS . 5.9 tp -60.38 -45.93 91.77 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.339 -0.391 . . . . 20.0 110.819 178.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -59.98 -44.8 94.26 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 120.75 0.309 . . . . 20.0 110.629 178.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -59.01 -38.42 79.19 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.069 -0.514 . . . . 20.0 110.937 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -78.32 -47.39 17.87 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 116.336 -0.393 . . . . 20.0 111.613 -175.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -58.94 -21.83 58.8 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 111.638 0.236 . . . . 20.0 111.638 -170.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -24.27 60.83 Favored 'General case' 0 CA--C 1.562 1.442 0 CA-C-O 120.508 0.194 . . . . 20.0 111.227 175.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 41.8 mt -73.94 -21.28 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 122.436 0.294 . . . . 20.0 111.05 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -94.23 -43.0 8.65 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.606 0.241 . . . . 20.0 110.925 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 94.0 p -74.28 -37.15 63.79 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.446 -0.343 . . . . 20.0 111.381 -175.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 63.7 m95 50.65 30.57 4.99 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.269 0.557 . . . . 20.0 110.504 -169.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -69.84 -32.93 71.59 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.856 -0.611 . . . . 20.0 110.622 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -127.39 115.88 19.62 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.175 -0.466 . . . . 20.0 110.386 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -90.24 146.78 23.98 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 116.342 -0.39 . . . . 20.0 110.731 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -123.64 79.86 55.37 Favored Pre-proline 0 CA--C 1.548 0.896 0 CA-C-N 116.123 -0.49 . . . . 20.0 110.599 178.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.98 145.44 24.92 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.755 2.303 . . . . 20.0 112.721 -177.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 40.5 t -80.75 146.25 31.1 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 115.884 -0.598 . . . . 20.0 110.595 175.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -82.37 -30.56 30.21 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 116.642 -0.254 . . . . 20.0 111.387 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -85.7 -26.61 25.82 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 116.561 -0.291 . . . . 20.0 111.722 -173.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 20.1 p -138.48 162.27 34.93 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 120.781 0.324 . . . . 20.0 110.713 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -80.97 29.36 0.34 Allowed 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 120.768 0.318 . . . . 20.0 111.655 -174.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -87.94 149.62 23.95 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 116.526 -0.306 . . . . 20.0 110.838 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 14.1 t -126.18 135.83 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 116.266 -0.425 . . . . 20.0 110.783 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -110.26 154.23 42.98 Favored Pre-proline 0 CA--C 1.543 0.692 0 CA-C-N 115.974 -0.557 . . . . 20.0 110.726 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -85.55 -4.55 9.21 Favored 'Trans proline' 0 CA--C 1.556 1.591 0 C-N-CA 122.963 2.442 . . . . 20.0 112.974 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.3 mp -132.95 146.94 52.23 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.393 0.277 . . . . 20.0 110.462 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.98 -44.63 92.11 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 116.526 -0.306 . . . . 20.0 110.891 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -55.78 -39.37 71.16 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.549 -0.296 . . . . 20.0 110.903 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 9.5 m-30 -68.62 -38.89 80.9 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.531 -0.304 . . . . 20.0 111.231 -173.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -68.8 -39.79 79.92 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 120.838 -0.345 . . . . 20.0 110.576 173.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 55.2 m -61.85 -57.1 13.13 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.51 0.195 . . . . 20.0 110.824 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -63.88 -32.01 73.39 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.808 -0.178 . . . . 20.0 110.932 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -67.53 -44.92 77.19 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-O 120.689 0.28 . . . . 20.0 110.967 175.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.64 -27.21 64.86 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-O 120.566 0.222 . . . . 20.0 110.827 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 13.1 mt -66.46 -26.8 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-O 120.736 0.303 . . . . 20.0 110.518 169.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -78.99 -30.42 44.32 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 116.324 -0.398 . . . . 20.0 111.153 176.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -72.53 -39.17 67.76 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 120.805 0.336 . . . . 20.0 110.696 175.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 21.6 p -84.76 -13.81 50.09 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 116.083 -0.508 . . . . 20.0 111.309 -177.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 70.22 13.3 70.14 Favored Glycine 0 CA--C 1.541 1.699 0 C-N-CA 121.564 -0.351 . . . . 20.0 112.487 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -57.11 115.06 2.42 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 120.847 0.355 . . . . 20.0 111.062 -176.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -76.7 138.63 40.12 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.327 -0.397 . . . . 20.0 110.218 174.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 51.8 mmm-85 -123.76 -59.19 1.54 Allowed 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 116.191 -0.459 . . . . 20.0 111.198 -172.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -92.44 107.32 19.12 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.707 0.289 . . . . 20.0 110.706 -173.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -98.04 137.44 36.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.352 -0.385 . . . . 20.0 110.6 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 45.9 t -73.23 151.46 41.42 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 109.983 -0.377 . . . . 20.0 109.983 171.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 92.1 mt -110.73 -14.09 14.07 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 120.472 0.177 . . . . 20.0 111.289 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.22 -47.41 28.32 Favored 'General case' 0 CA--C 1.556 1.18 0 CA-C-N 116.673 -0.24 . . . . 20.0 111.112 175.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . 0.988 ' SG ' 'ZN ' ' A' ' 703' ' ' ' ZN' . 31.5 p -120.07 -8.35 9.77 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 112.02 0.378 . . . . 20.0 112.02 -176.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 87.29 -3.93 86.4 Favored Glycine 0 CA--C 1.558 2.752 0 C-N-CA 121.006 -0.616 . . . . 20.0 113.684 172.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -67.79 137.32 55.3 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 117.401 0.6 . . . . 20.0 111.256 -175.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 16.7 m -101.59 135.37 43.23 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-N 116.274 -0.421 . . . . 20.0 111.276 -175.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -123.89 159.19 30.2 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 116.155 -0.475 . . . . 20.0 110.893 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 2.1 tt -80.53 -24.56 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-N 116.289 -0.414 . . . . 20.0 111.733 -172.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 42.5 p30 -154.63 170.48 21.41 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-O 120.955 0.407 . . . . 20.0 111.312 -173.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 562' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' A' ' 566' ' ' SER . 29.1 t80 -64.87 -38.05 89.69 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.027 -0.533 . . . . 20.0 111.146 -176.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.6 mp0 -58.46 -42.94 88.58 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.32 -0.4 . . . . 20.0 110.902 -174.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -69.02 -46.05 68.93 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.603 -0.271 . . . . 20.0 110.951 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -47.03 87.11 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-O 120.483 0.182 . . . . 20.0 111.121 -178.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . 0.409 ' HB2' ' CE1' ' A' ' 562' ' ' TYR . 8.9 t -64.8 -45.74 84.99 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.633 0.254 . . . . 20.0 110.776 -178.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 24.1 t -58.9 -41.64 87.69 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.812 0.339 . . . . 20.0 110.817 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 31.0 t60 -63.73 -48.97 74.89 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.37 -0.377 . . . . 20.0 111.145 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 66.9 mt -59.35 -45.7 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-O 120.659 0.266 . . . . 20.0 110.54 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -66.49 -40.25 89.17 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.433 -0.349 . . . . 20.0 111.229 -176.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 36.6 p -82.19 -32.55 29.85 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 111.715 0.265 . . . . 20.0 111.715 -174.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 74.0 t -96.92 -50.3 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 CA-C-O 120.435 0.16 . . . . 20.0 111.37 -173.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -100.02 -15.84 18.12 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.592 -0.276 . . . . 20.0 111.501 -172.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 20.2 m 58.38 24.15 11.36 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.703 0.401 . . . . 20.0 111.554 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -89.64 157.39 18.04 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 120.742 0.306 . . . . 20.0 110.616 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -100.76 110.82 61.83 Favored Pre-proline 0 CA--C 1.558 1.284 0 CA-C-N 116.213 -0.449 . . . . 20.0 111.036 -176.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -84.09 0.54 9.2 Favored 'Trans proline' 0 CA--C 1.568 2.222 0 C-N-CA 123.051 2.5 . . . . 20.0 112.992 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 25.3 t -64.25 -30.2 71.26 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 112.114 0.413 . . . . 20.0 112.114 -170.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -74.01 -170.32 21.94 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 110.747 -0.941 . . . . 20.0 110.747 169.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -105.79 31.71 4.85 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 118.152 0.976 . . . . 20.0 110.228 175.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 35.6 m -56.63 -31.55 64.45 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.05 -0.523 . . . . 20.0 110.752 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt 59.86 69.38 0.71 Allowed 'General case' 0 N--CA 1.476 0.852 0 CA-C-O 121.252 0.549 . . . . 20.0 110.735 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.71 10.4 1.79 Allowed 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 115.475 -0.784 . . . . 20.0 110.316 169.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -142.7 155.74 44.94 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.181 -177.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -123.36 124.65 43.42 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.29 -0.414 . . . . 20.0 110.394 177.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.7 tt -94.39 107.26 19.23 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 116.313 -0.403 . . . . 20.0 110.445 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -79.92 154.89 75.49 Favored Pre-proline 0 CA--C 1.544 0.746 0 CA-C-N 116.21 -0.45 . . . . 20.0 110.866 -177.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -61.78 149.48 89.85 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 122.443 2.096 . . . . 20.0 112.334 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 47.9 t -89.53 126.13 35.48 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.272 -0.422 . . . . 20.0 110.054 171.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.49 -15.1 6.72 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 116.563 -0.289 . . . . 20.0 111.427 -176.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 46.6 m -66.61 -26.99 67.35 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 116.785 -0.189 . . . . 20.0 111.323 -177.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.5 pp -140.93 164.97 28.81 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 120.869 0.366 . . . . 20.0 111.003 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -83.9 118.89 24.28 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.141 -0.481 . . . . 20.0 111.502 -170.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 28.6 pt -141.78 169.64 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 CA-C-N 115.855 -0.611 . . . . 20.0 110.1 171.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -69.21 141.06 54.59 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 110.001 -0.37 . . . . 20.0 110.001 170.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -116.76 96.7 5.6 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.935 0.397 . . . . 20.0 110.691 -173.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -54.55 143.72 23.62 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.064 -0.516 . . . . 20.0 110.481 176.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.82 -10.74 51.09 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 112.279 0.474 . . . . 20.0 112.279 -171.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -85.04 -16.47 40.62 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.592 0.234 . . . . 20.0 111.019 174.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.19 -38.26 13.6 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 120.876 0.37 . . . . 20.0 110.194 169.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.86 -7.93 57.77 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 116.083 -0.508 . . . . 20.0 111.934 -170.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -154.43 169.88 22.7 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-O 120.892 0.377 . . . . 20.0 110.994 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -64.47 153.2 39.58 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 116.104 -0.498 . . . . 20.0 110.86 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.485 1.318 0 CA-C-N 116.09 -0.505 . . . . 20.0 111.172 178.665 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.154 0 O5'-C5'-C4' 114.126 2.804 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.682 0 O4'-C4'-C3' 108.584 2.984 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.386 0 O5'-C5'-C4' 114.14 2.814 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.543 0 O5'-C5'-C4' 115.206 3.576 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.052 0 P-O3'-C3' 123.248 2.956 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.763 0 P-O3'-C3' 123.495 3.162 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.628 0 O4'-C4'-C3' 109.595 3.995 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.875 0 P-O3'-C3' 123.538 3.198 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.31 0 C3'-C2'-C1' 97.293 -3.862 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.024 0 C5'-C4'-C3' 110.539 -2.774 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.703 0 P-O3'-C3' 123.633 3.277 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.359 0 P-O3'-C3' 122.873 2.645 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.718 0 O5'-C5'-C4' 114.209 2.864 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.568 0 P-O3'-C3' 123.746 3.371 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.633 0 O4'-C4'-C3' 108.56 2.96 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.288 0 O5'-C5'-C4' 114.237 2.884 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.044 0 O4'-C4'-C3' 109.397 3.797 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.613 0 O4'-C4'-C3' 108.875 3.275 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.328 0 C1'-O4'-C4' 106.055 -2.604 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.988 0 O4'-C4'-C3' 108.651 3.051 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.648 0 O5'-C5'-C4' 113.996 2.712 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.442 0 P-O3'-C3' 123.008 2.756 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.797 0 P-O3'-C3' 123.327 3.023 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.992 0 O4'-C4'-C3' 108.155 2.555 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.554 0 O5'-C5'-C4' 114.913 3.366 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.744 0 O5'-C5'-C4' 115.337 3.669 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.566 2 C3'-C2'-C1' 94.814 -5.633 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.498 0 O3'-P-O5' 99.538 -2.349 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.121 0 O5'-C5'-C4' 115.354 3.681 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.703 0 P-O3'-C3' 123.9 3.5 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.645 5.222 1 O5'-C5'-C4' 116.089 4.206 . . . . 20.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.051 0 P-O3'-C3' 124.225 3.77 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.043 0 O5'-C5'-C4' 114.658 3.184 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.46 0 P-O3'-C3' 123.29 2.992 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.38 0 P-O3'-C3' 123.161 2.884 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.581 0 O4'-C4'-C3' 108.684 3.084 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.574 0 O4'-C4'-C3' 108.601 3.001 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.268 0 P-O3'-C3' 122.892 2.66 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 703' ' ' ' ZN' . . . . . 0.988 'ZN ' ' SG ' ' A' ' 555' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.888 0 CA-C-O 120.913 0.387 . . . . 20.0 110.927 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -134.13 154.13 51.39 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 116.1 -0.5 . . . . 20.0 110.647 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -75.08 158.68 32.73 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 116.27 -0.423 . . . . 20.0 111.031 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.07 144.48 23.57 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 116.068 -0.515 . . . . 20.0 110.84 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 5.1 tpt -150.98 152.23 33.24 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.256 -0.429 . . . . 20.0 110.81 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.97 50.56 2.0 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 121.076 0.465 . . . . 20.0 110.538 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 15.7 m -97.99 173.29 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 CA-C-N 115.971 -0.559 . . . . 20.0 111.027 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -72.49 157.92 36.69 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 116.189 -0.46 . . . . 20.0 110.563 173.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -120.57 153.47 36.72 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 116.24 -0.436 . . . . 20.0 110.835 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 -95.3 27.36 3.33 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 116.189 -0.46 . . . . 20.0 111.126 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 45.9 p-10 -86.05 9.69 16.46 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 116.341 -0.39 . . . . 20.0 111.128 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 483' ' ' HIS . . . . . 0.409 ' HB3' HD21 ' A' ' 509' ' ' LEU . 56.5 p-80 -160.63 176.94 11.0 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.006 0.432 . . . . 20.0 111.379 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -136.36 159.34 42.07 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.518 -0.765 . . . . 20.0 109.802 169.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -100.56 119.75 39.0 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.85 0.357 . . . . 20.0 110.773 -176.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.5 tp -116.98 113.77 22.85 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.019 -0.537 . . . . 20.0 110.27 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 34.6 mt -87.63 123.49 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-O 120.921 0.391 . . . . 20.0 110.6 -178.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 38.8 t -138.64 129.45 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 115.878 -0.601 . . . . 20.0 110.24 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.41 37.17 21.91 Favored 'General case' 0 CA--C 1.566 1.563 0 CA-C-O 121.004 0.43 . . . . 20.0 111.213 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.38 2.99 88.44 Favored Glycine 0 CA--C 1.55 2.245 0 C-N-CA 121.458 -0.401 . . . . 20.0 112.881 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -112.06 137.21 50.41 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 116.873 0.337 . . . . 20.0 110.719 -178.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 95.4 t -81.62 121.5 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-O 120.661 0.267 . . . . 20.0 110.358 174.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -107.04 115.57 30.4 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.323 -0.399 . . . . 20.0 110.455 175.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -79.86 116.62 20.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 20.0 110.027 177.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 2.5 mt -110.23 124.78 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-N 116.393 -0.367 . . . . 20.0 110.753 -172.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.6 t -62.55 136.04 57.69 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.089 -0.505 . . . . 20.0 110.664 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 28.5 pt -68.69 -39.4 80.23 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 N-CA-C 111.726 0.269 . . . . 20.0 111.726 -176.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 47.9 t -61.23 -65.35 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 111.781 0.289 . . . . 20.0 111.781 -176.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 27.4 p -104.95 -2.95 23.92 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 112.475 0.546 . . . . 20.0 112.475 -169.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 59.49 35.75 22.86 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 111.919 0.341 . . . . 20.0 111.919 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 -79.02 130.39 35.48 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 110.079 -0.341 . . . . 20.0 110.079 169.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 20.3 p -92.32 144.04 25.79 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 116.42 -0.354 . . . . 20.0 111.145 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -135.82 140.04 43.92 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.007 -0.542 . . . . 20.0 110.898 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 86.8 t -78.4 -20.01 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 CA-C-N 115.946 -0.57 . . . . 20.0 110.944 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 68.1 m -133.59 136.02 44.62 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.52 -0.309 . . . . 20.0 111.053 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.12 -34.27 74.71 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 116.461 -0.336 . . . . 20.0 110.973 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 15.7 p -52.55 -40.7 62.83 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 120.575 0.226 . . . . 20.0 111.002 176.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 22.3 m -67.36 -40.87 85.82 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.562 -0.29 . . . . 20.0 111.085 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 483' ' ' HIS . 6.8 tp -61.69 -49.07 77.95 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 116.573 -0.285 . . . . 20.0 110.979 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -62.89 -44.01 97.26 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 120.551 0.215 . . . . 20.0 110.617 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -58.24 -41.25 83.76 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.38 -0.373 . . . . 20.0 110.96 174.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -71.26 -44.93 64.3 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-N 116.267 -0.424 . . . . 20.0 111.504 -177.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -60.51 -20.65 60.85 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 111.629 0.233 . . . . 20.0 111.629 -172.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -23.49 62.53 Favored 'General case' 0 CA--C 1.563 1.453 0 CA-C-O 120.566 0.222 . . . . 20.0 111.128 175.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 34.9 mt -77.24 -19.94 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.151 0 C-N-CA 122.457 0.303 . . . . 20.0 111.006 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -96.15 -41.34 8.76 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.679 0.276 . . . . 20.0 110.992 178.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 78.7 p -78.08 -34.96 49.95 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.49 -0.323 . . . . 20.0 111.441 -176.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 53.2 m95 50.6 34.26 9.39 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-O 121.318 0.58 . . . . 20.0 110.114 -169.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.13 -32.65 74.23 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.593 -0.731 . . . . 20.0 110.753 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -130.01 120.27 24.47 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.008 -0.542 . . . . 20.0 110.406 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -90.14 144.46 25.86 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.325 -0.398 . . . . 20.0 110.622 176.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -121.97 80.02 42.17 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 116.073 -0.512 . . . . 20.0 110.393 178.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.41 150.76 25.49 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.822 2.348 . . . . 20.0 112.728 -175.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 45.4 t -87.63 145.4 26.2 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.845 -0.616 . . . . 20.0 110.42 173.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -82.32 -33.03 29.14 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-O 120.605 0.24 . . . . 20.0 111.18 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -82.64 -24.07 33.96 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 116.416 -0.356 . . . . 20.0 111.671 -172.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.5 p -142.37 163.46 32.78 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 120.733 0.302 . . . . 20.0 110.73 175.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -81.06 30.29 0.33 Allowed 'General case' 0 CA--C 1.565 1.545 0 CA-C-O 120.829 0.347 . . . . 20.0 111.748 -174.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -88.77 147.37 24.48 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 116.467 -0.333 . . . . 20.0 110.864 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 14.5 t -128.66 139.18 52.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 CA-C-N 116.271 -0.422 . . . . 20.0 110.811 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -114.92 156.1 45.56 Favored Pre-proline 0 CA--C 1.547 0.835 0 CA-C-N 115.897 -0.592 . . . . 20.0 110.827 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -85.68 -1.21 8.9 Favored 'Trans proline' 0 CA--C 1.558 1.696 0 C-N-CA 123.039 2.493 . . . . 20.0 112.917 176.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 4.5 mp -136.31 148.91 48.18 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 120.744 0.307 . . . . 20.0 110.748 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.17 -42.56 88.76 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 116.312 -0.404 . . . . 20.0 111.026 175.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -54.47 -42.41 70.65 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.841 0.353 . . . . 20.0 110.702 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -68.19 -38.87 82.46 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.196 -0.456 . . . . 20.0 111.274 -172.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -69.51 -33.14 72.41 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 121.083 -0.247 . . . . 20.0 110.63 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 35.5 m -67.35 -57.65 6.23 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.459 0.171 . . . . 20.0 110.752 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -57.15 -36.12 70.36 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 120.713 0.292 . . . . 20.0 110.849 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -67.99 -46.4 71.43 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 116.562 -0.29 . . . . 20.0 111.135 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -67.75 -27.51 66.84 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 122.4 -0.188 . . . . 20.0 111.056 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 25.1 mt -65.14 -31.74 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-O 120.708 0.29 . . . . 20.0 110.4 170.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.87 -32.33 65.33 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 116.25 -0.432 . . . . 20.0 111.079 176.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -74.39 -41.57 60.75 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 120.743 0.306 . . . . 20.0 111.108 177.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 19.9 p -80.53 -18.76 47.48 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-N 116.426 -0.352 . . . . 20.0 111.425 -175.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 78.05 11.42 85.4 Favored Glycine 0 CA--C 1.542 1.772 0 C-N-CA 121.56 -0.352 . . . . 20.0 112.485 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -57.25 117.16 3.79 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 120.878 0.37 . . . . 20.0 110.959 -177.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -80.58 140.16 35.91 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.358 -0.383 . . . . 20.0 110.514 176.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 66.4 mtp85 -114.68 -53.86 2.62 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 116.026 -0.534 . . . . 20.0 111.082 -176.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -102.93 120.43 40.62 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.275 -0.42 . . . . 20.0 110.751 -173.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -105.85 131.88 52.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.316 -0.402 . . . . 20.0 110.543 177.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' CYS . . . . . 0.829 ' SG ' 'ZN ' ' A' ' 703' ' ' ' ZN' . 42.2 t -67.48 144.11 55.86 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.115 -0.493 . . . . 20.0 110.052 171.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 79.7 mt -101.2 -15.47 17.32 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 120.525 0.203 . . . . 20.0 111.35 -178.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.17 -49.11 20.51 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 116.715 -0.221 . . . . 20.0 111.134 177.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 28.3 p -120.12 -2.54 10.18 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 112.012 0.375 . . . . 20.0 112.012 -175.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 79.99 2.59 88.85 Favored Glycine 0 CA--C 1.556 2.596 0 C-N-CA 120.99 -0.624 . . . . 20.0 113.603 172.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -72.17 138.18 47.45 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 117.38 0.59 . . . . 20.0 110.975 -177.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 43.8 m -105.08 141.17 37.12 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 116.316 -0.402 . . . . 20.0 111.173 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -127.54 158.82 36.43 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 116.248 -0.433 . . . . 20.0 111.006 -175.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.4 tt -82.98 -25.7 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 116.252 -0.431 . . . . 20.0 111.686 -172.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 31.0 p30 -152.21 172.18 16.78 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 120.989 0.423 . . . . 20.0 111.26 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -68.51 -36.55 79.04 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.926 -0.579 . . . . 20.0 111.376 -175.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.4 mp0 -60.22 -45.15 94.2 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-O 120.709 0.29 . . . . 20.0 110.963 -176.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -68.4 -48.34 64.94 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.568 -0.287 . . . . 20.0 111.091 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -40.02 95.86 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 120.574 0.226 . . . . 20.0 110.775 -177.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 35.2 t -61.73 -49.59 75.8 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.719 0.295 . . . . 20.0 110.628 177.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 27.2 t -60.07 -39.81 87.34 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.32 -0.4 . . . . 20.0 110.945 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -63.4 -49.66 72.93 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 116.485 -0.325 . . . . 20.0 111.187 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 67.8 mt -65.95 -35.45 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 120.634 0.254 . . . . 20.0 110.674 -177.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -67.83 -46.94 70.4 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 116.489 -0.323 . . . . 20.0 111.123 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 30.5 p -78.01 -33.47 51.21 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 111.814 0.302 . . . . 20.0 111.814 -173.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 71.0 t -94.78 -48.58 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 111.486 0.18 . . . . 20.0 111.486 -172.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -100.15 -0.74 38.27 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 116.627 -0.26 . . . . 20.0 111.537 -173.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 37.8 m 55.7 35.62 25.63 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 122.601 0.361 . . . . 20.0 111.406 177.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -132.61 156.2 47.33 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 116.261 -0.427 . . . . 20.0 110.608 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -106.28 109.83 63.45 Favored Pre-proline 0 CA--C 1.551 0.994 0 CA-C-N 116.338 -0.392 . . . . 20.0 110.652 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.87 -13.17 24.17 Favored 'Trans proline' 0 CA--C 1.547 1.148 0 C-N-CA 122.519 2.146 . . . . 20.0 112.448 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 3.0 t -75.43 -13.47 60.39 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 116.555 -0.293 . . . . 20.0 110.944 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -81.9 -134.81 1.9 Allowed Glycine 0 CA--C 1.542 1.755 0 CA-C-N 116.445 -0.343 . . . . 20.0 112.316 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 -119.97 29.61 7.45 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 120.791 0.329 . . . . 20.0 111.401 -177.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 51.7 m -90.76 -40.36 11.87 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.436 -0.347 . . . . 20.0 111.102 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 59.35 72.62 0.52 Allowed 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 121.244 0.545 . . . . 20.0 110.882 -177.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 8.1 mt -105.51 20.43 18.92 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 115.678 -0.692 . . . . 20.0 111.365 -174.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -148.98 163.73 36.64 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 120.901 0.382 . . . . 20.0 111.102 -178.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -136.97 140.84 42.49 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.003 -0.544 . . . . 20.0 110.609 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.78 126.7 41.22 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 116.39 -0.368 . . . . 20.0 110.564 -179.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -106.97 150.23 39.55 Favored Pre-proline 0 N--CA 1.483 1.216 0 CA-C-N 116.454 -0.339 . . . . 20.0 110.822 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -66.11 156.86 62.61 Favored 'Trans proline' 0 CA--C 1.545 1.025 0 C-N-CA 122.599 2.199 . . . . 20.0 112.555 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 37.0 t -97.85 132.0 43.84 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.035 -0.53 . . . . 20.0 110.546 176.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -128.4 -12.23 5.04 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 116.338 -0.392 . . . . 20.0 111.61 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 36.3 m -68.77 -28.0 66.4 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 111.626 0.232 . . . . 20.0 111.626 -175.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.1 pp -139.86 164.2 30.61 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 120.897 0.379 . . . . 20.0 110.849 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.38 109.16 17.64 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 116.122 -0.49 . . . . 20.0 111.446 -171.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 25.0 pt -144.74 168.95 9.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 CA-C-N 115.78 -0.646 . . . . 20.0 109.906 169.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . 0.488 HH22 " H1'" ' E' ' 27' ' ' ' DG' . 17.2 ptt180 -76.39 141.01 41.59 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 110.064 -0.347 . . . . 20.0 110.064 174.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -123.7 115.16 20.96 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.01 0.433 . . . . 20.0 110.593 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -64.84 160.36 20.53 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.684 -0.689 . . . . 20.0 111.087 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -65.44 -12.47 52.78 Favored 'General case' 0 CA--C 1.561 1.387 0 CA-C-N 116.401 -0.363 . . . . 20.0 111.848 -177.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -84.31 -24.36 29.87 Favored 'General case' 0 CA--C 1.556 1.194 0 O-C-N 122.459 -0.15 . . . . 20.0 110.968 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -34.33 38.37 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 110.076 -0.342 . . . . 20.0 110.076 169.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 4.7 t -71.55 5.11 2.56 Favored 'General case' 0 CA--C 1.561 1.387 0 CA-C-N 116.001 -0.545 . . . . 20.0 111.665 -179.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -55.8 146.22 22.17 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-O 120.885 0.374 . . . . 20.0 111.008 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -63.13 120.73 12.03 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 116.309 -0.405 . . . . 20.0 110.678 -178.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 65.1 m . . . . . 0 N--CA 1.483 1.186 0 CA-C-N 116.143 -0.481 . . . . 20.0 111.03 -176.583 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.052 0 O5'-C5'-C4' 114.159 2.828 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.606 0 O4'-C4'-C3' 108.609 3.009 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.401 0 O5'-C5'-C4' 114.055 2.754 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.589 0 O5'-C5'-C4' 115.243 3.602 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.408 0 P-O3'-C3' 123.37 3.058 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.602 0 O5'-C5'-C4' 114.852 3.323 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.637 4.366 0 O5'-C5'-C4' 115.645 3.89 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.652 0 P-O3'-C3' 123.165 2.887 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.882 1 C3'-C2'-C1' 96.404 -4.497 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.843 0 C5'-C4'-C3' 109.828 -3.248 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.237 0 P-O3'-C3' 123.383 3.069 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.224 0 P-O3'-C3' 122.694 2.495 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.324 0 P-O3'-C3' 123.293 2.994 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.378 0 P-O3'-C3' 123.364 3.053 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.308 0 P-O3'-C3' 123.273 2.977 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.316 0 P-O3'-C3' 123.133 2.861 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.202 0 O4'-C4'-C3' 109.367 3.767 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.916 0 O4'-C4'-C3' 108.674 3.074 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.244 0 C1'-O4'-C4' 105.968 -2.666 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.644 0 C1'-O4'-C4' 105.816 -2.774 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.756 0 O5'-C5'-C4' 113.915 2.653 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.26 0 P-O3'-C3' 122.775 2.563 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.653 0 P-O3'-C3' 123.053 2.794 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.741 0 O5'-C5'-C4' 114.842 3.315 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 0 P-O3'-C3' 123.767 3.39 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.902 0 O4'-C4'-C3' 107.996 2.396 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 27' ' ' ' DG' . . . . . 0.488 " H1'" HH22 ' A' ' 595' ' ' ARG . . . . . . . . 0 C5'--C4' 1.54 3.588 2 C3'-C2'-C1' 95.632 -5.049 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.612 0 O3'-P-O5' 98.343 -2.977 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.54 0 O4'-C4'-C3' 109.306 3.706 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.683 0 O5'-C5'-C4' 114.11 2.793 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.701 0 C1'-O4'-C4' 104.184 -3.94 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.694 1 P-O3'-C3' 125.064 4.47 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.788 0 O5'-C5'-C4' 115.439 3.742 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.359 0 P-O3'-C3' 123.19 2.908 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.591 0 O4'-C4'-C3' 108.463 2.863 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.598 0 O4'-C4'-C3' 108.623 3.023 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.678 0 O4'-C4'-C3' 108.579 2.979 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.339 0 P-O3'-C3' 122.852 2.626 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 703' ' ' ' ZN' . . . . . 0.829 'ZN ' ' SG ' ' A' ' 552' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.784 0 CA-C-O 120.845 0.355 . . . . 20.0 110.76 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -138.68 155.19 48.47 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 116.198 -0.455 . . . . 20.0 110.748 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -71.92 153.96 41.52 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 116.312 -0.404 . . . . 20.0 110.923 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -68.33 144.11 54.93 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 116.103 -0.498 . . . . 20.0 110.163 175.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 43.7 ttp -80.91 129.74 34.69 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 120.839 0.352 . . . . 20.0 110.903 -175.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.56 49.91 1.69 Allowed 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 116.165 -0.471 . . . . 20.0 111.108 -177.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 27.4 m -132.29 158.78 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 CA-C-N 115.974 -0.557 . . . . 20.0 110.482 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -82.19 168.72 17.38 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 120.858 0.361 . . . . 20.0 111.106 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -133.64 172.14 13.16 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 116.039 -0.528 . . . . 20.0 110.765 -177.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -78.94 42.92 0.48 Allowed 'General case' 0 CA--C 1.56 1.341 0 CA-C-O 121.012 0.435 . . . . 20.0 111.288 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . 0.432 ' CG ' HH12 ' A' ' 510' ' ' ARG . 10.3 p30 -89.56 8.12 32.86 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 116.146 -0.479 . . . . 20.0 110.505 174.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 483' ' ' HIS . . . . . 0.409 ' HB3' HD21 ' A' ' 509' ' ' LEU . 51.6 p-80 -161.31 176.07 11.59 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.879 -0.601 . . . . 20.0 110.077 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -134.88 155.49 50.59 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.37 -0.377 . . . . 20.0 110.246 169.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -108.82 122.86 48.06 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.008 0.432 . . . . 20.0 110.653 -174.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 14.6 tp -118.31 117.08 28.12 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.747 -0.66 . . . . 20.0 110.233 -178.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 27.9 mt -88.55 122.9 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.946 0.403 . . . . 20.0 110.589 -178.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 47.4 t -137.67 128.31 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 115.75 -0.659 . . . . 20.0 110.032 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.17 36.65 19.75 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-O 120.955 0.407 . . . . 20.0 111.217 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 80.26 -0.74 83.45 Favored Glycine 0 CA--C 1.55 2.246 0 CA-C-N 116.415 -0.357 . . . . 20.0 112.95 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -105.88 134.07 49.6 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.477 0.311 . . . . 20.0 110.757 -178.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 84.0 t -80.95 122.83 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 110.23 -0.285 . . . . 20.0 110.23 175.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -110.4 114.03 27.16 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.392 -0.367 . . . . 20.0 110.541 177.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -79.79 120.15 23.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.297 -0.41 . . . . 20.0 110.23 177.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.3 mt -113.75 130.94 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.353 -0.385 . . . . 20.0 110.908 -172.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 8.9 t -67.04 136.85 55.88 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.723 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 21.4 pt -68.41 -39.83 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 CA-C-N 116.665 -0.243 . . . . 20.0 111.639 -177.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 52.4 t -61.47 -64.46 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 111.813 0.301 . . . . 20.0 111.813 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 29.7 p -105.04 -4.76 21.58 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 112.726 0.639 . . . . 20.0 112.726 -169.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 58.66 38.48 25.08 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 122.563 0.345 . . . . 20.0 111.796 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -81.12 133.18 35.42 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 109.991 -0.374 . . . . 20.0 109.991 169.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 31.0 p -95.25 141.77 28.46 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 120.881 0.372 . . . . 20.0 111.293 -175.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -134.85 137.06 42.92 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.782 -0.645 . . . . 20.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 72.2 t -76.81 -16.82 14.76 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.853 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 56.7 m -133.9 136.35 44.24 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.447 -0.342 . . . . 20.0 111.047 -177.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 20.5 mt -58.7 -33.41 70.14 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.311 -0.404 . . . . 20.0 110.751 174.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 29.6 p -53.66 -45.89 70.4 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-O 120.639 0.257 . . . . 20.0 110.967 175.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 53.0 m -66.25 -41.83 89.42 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.54 -0.3 . . . . 20.0 110.799 178.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 483' ' ' HIS . 7.6 tp -60.49 -47.63 85.28 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.514 -0.312 . . . . 20.0 110.84 179.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 510' ' ' ARG . . . . . 0.432 HH12 ' CG ' ' A' ' 482' ' ' ASP . 0.0 OUTLIER -62.52 -48.51 79.22 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.381 0.272 . . . . 20.0 110.752 179.056 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -54.38 -38.73 66.49 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 116.21 -0.45 . . . . 20.0 110.933 175.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -75.03 -45.36 42.23 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 116.293 -0.412 . . . . 20.0 111.441 -178.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -61.28 -23.54 65.76 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-O 120.546 0.212 . . . . 20.0 111.459 -172.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.64 -25.46 62.75 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-N 116.654 -0.248 . . . . 20.0 111.069 174.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 30.8 mt -76.1 -19.02 15.3 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 C-N-CA 122.474 0.31 . . . . 20.0 111.074 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -95.95 -41.64 8.68 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.633 0.254 . . . . 20.0 110.945 177.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 87.7 p -74.93 -36.73 62.14 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.588 -0.278 . . . . 20.0 111.282 -177.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 71.2 m95 49.43 34.29 6.48 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 121.293 0.568 . . . . 20.0 110.38 -169.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -73.99 -30.66 62.59 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.833 -0.621 . . . . 20.0 110.752 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -128.83 117.03 20.37 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.187 -0.46 . . . . 20.0 110.443 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -96.29 151.29 19.66 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.224 -0.444 . . . . 20.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -127.82 80.83 71.41 Favored Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 116.016 -0.538 . . . . 20.0 110.592 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -69.65 145.81 58.94 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.756 2.304 . . . . 20.0 112.584 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 42.8 t -80.54 144.27 32.6 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 115.871 -0.604 . . . . 20.0 110.495 172.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -78.7 -35.15 45.38 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-O 120.642 0.258 . . . . 20.0 111.092 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -81.61 -26.01 35.24 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-N 116.272 -0.422 . . . . 20.0 111.762 -172.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 15.6 p -141.88 167.51 21.97 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.764 0.316 . . . . 20.0 110.968 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.29 11.8 2.71 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 111.995 0.368 . . . . 20.0 111.995 -173.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -71.82 146.52 47.94 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 120.781 0.324 . . . . 20.0 110.989 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 21.8 t -125.89 138.63 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 CA-C-N 116.048 -0.524 . . . . 20.0 110.627 175.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -111.03 148.17 38.09 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 116.014 -0.539 . . . . 20.0 110.813 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -82.44 -3.87 11.51 Favored 'Trans proline' 0 CA--C 1.557 1.649 0 C-N-CA 122.98 2.453 . . . . 20.0 112.522 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.3 mp -130.94 146.7 52.43 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.653 0.381 . . . . 20.0 110.289 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -70.57 -42.14 71.49 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 116.629 -0.259 . . . . 20.0 111.338 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.85 -37.71 88.4 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 121.249 -0.18 . . . . 20.0 110.801 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -59.89 -38.49 82.4 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.486 0.184 . . . . 20.0 110.841 176.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -57.48 -52.74 64.16 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.891 0.377 . . . . 20.0 110.21 173.217 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . 0.48 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 98.6 m -59.93 -53.9 52.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.822 -0.626 . . . . 20.0 111.301 -174.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -56.5 -40.59 75.24 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 120.704 0.288 . . . . 20.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -68.92 -44.38 73.22 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 116.509 -0.314 . . . . 20.0 111.227 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -67.08 -30.99 71.18 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.555 0.217 . . . . 20.0 110.897 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 51.6 mt -62.75 -43.87 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 110.254 -0.276 . . . . 20.0 110.254 170.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -62.74 -30.95 71.82 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 116.557 -0.292 . . . . 20.0 110.977 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -72.48 -28.55 62.98 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 120.675 0.274 . . . . 20.0 111.096 175.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 18.0 m -89.75 -36.61 15.08 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.4 -0.364 . . . . 20.0 111.202 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 92.45 11.74 59.2 Favored Glycine 0 CA--C 1.546 1.988 0 CA-C-N 116.441 -0.345 . . . . 20.0 112.607 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -60.13 115.58 3.58 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 120.918 0.39 . . . . 20.0 111.018 -177.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 37.0 mmt-85 -89.45 80.81 6.67 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 116.319 -0.401 . . . . 20.0 110.59 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -78.14 -32.24 50.25 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 116.119 -0.491 . . . . 20.0 111.766 -173.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -90.31 96.97 10.91 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.815 0.34 . . . . 20.0 110.622 -174.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -95.1 131.5 41.03 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.926 0.393 . . . . 20.0 111.019 -178.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 43.7 t -70.3 149.35 47.48 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.044 -0.525 . . . . 20.0 110.198 171.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 96.2 mt -106.54 -21.1 13.17 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.605 -0.27 . . . . 20.0 111.269 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -74.99 -50.01 17.99 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-N 116.642 -0.254 . . . . 20.0 111.155 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 28.5 p -117.56 -1.47 11.66 Favored 'General case' 0 CA--C 1.562 1.431 0 N-CA-C 111.878 0.325 . . . . 20.0 111.878 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 82.96 -8.76 62.1 Favored Glycine 0 CA--C 1.557 2.689 0 C-N-CA 121.113 -0.565 . . . . 20.0 113.574 171.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -65.07 140.44 58.83 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 117.399 0.6 . . . . 20.0 111.175 -175.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 25.3 m -104.19 141.4 36.32 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 120.911 0.386 . . . . 20.0 111.234 -176.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -129.72 162.1 29.15 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 116.017 -0.538 . . . . 20.0 110.816 -177.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 8.6 tt -86.42 -26.84 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 CA-C-N 116.268 -0.424 . . . . 20.0 112.11 -169.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 56.0 p30 -153.49 171.46 18.66 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-O 121.101 0.477 . . . . 20.0 111.426 -175.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -60.98 -40.57 93.95 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.876 -0.602 . . . . 20.0 111.101 -177.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.5 mp0 -59.31 -44.53 92.56 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 116.502 -0.317 . . . . 20.0 110.929 -175.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -71.29 -47.85 54.3 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.594 -0.275 . . . . 20.0 111.15 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.5 -39.64 92.09 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-O 120.463 0.173 . . . . 20.0 110.954 -177.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 48.5 t -63.82 -48.23 77.62 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 120.674 0.273 . . . . 20.0 110.594 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 40.7 t -57.95 -40.74 81.27 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.372 -0.376 . . . . 20.0 110.865 176.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -64.81 -49.49 70.43 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 116.477 -0.329 . . . . 20.0 111.116 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 84.8 mt -62.41 -39.32 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-O 120.613 0.244 . . . . 20.0 110.679 -178.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -69.23 -39.5 78.49 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.514 -0.312 . . . . 20.0 111.384 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 30.2 p -83.45 -33.0 25.74 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 111.67 0.248 . . . . 20.0 111.67 -175.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 72.3 t -97.05 -48.61 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 CA-C-O 120.433 0.158 . . . . 20.0 111.357 -173.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -100.03 -6.61 26.17 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 116.687 -0.233 . . . . 20.0 111.527 -173.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 89.3 p 51.66 42.87 30.05 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 122.935 0.494 . . . . 20.0 111.454 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -133.45 165.15 25.54 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.174 -0.466 . . . . 20.0 111.15 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -96.59 120.08 62.74 Favored Pre-proline 0 CA--C 1.556 1.181 0 CA-C-N 115.899 -0.591 . . . . 20.0 110.447 177.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -55.81 -28.09 65.53 Favored 'Trans proline' 0 CA--C 1.55 1.308 0 C-N-CA 122.653 2.235 . . . . 20.0 112.746 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 4.5 t -82.95 10.4 7.98 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 122.581 0.353 . . . . 20.0 111.412 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -80.15 -158.5 16.98 Favored Glycine 0 CA--C 1.545 1.907 0 CA-C-N 116.416 -0.356 . . . . 20.0 112.641 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -120.24 29.78 7.31 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-O 120.719 0.295 . . . . 20.0 111.301 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 40.6 m -104.39 0.72 29.36 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 112.161 0.43 . . . . 20.0 112.161 -171.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 52.68 87.56 0.03 OUTLIER 'General case' 0 N--CA 1.507 2.382 0 CA-C-O 121.02 0.438 . . . . 20.0 111.099 -172.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 83.1 mt -120.11 -24.7 5.93 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 112.494 0.553 . . . . 20.0 112.494 -171.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -143.6 156.26 44.53 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.054 0.454 . . . . 20.0 111.428 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -144.56 133.67 22.81 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.712 -0.676 . . . . 20.0 110.19 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.5 tt -102.55 110.16 22.01 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 120.848 0.356 . . . . 20.0 110.546 -175.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -81.65 155.13 71.16 Favored Pre-proline 0 CA--C 1.555 1.137 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.815 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -56.5 148.05 65.48 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 122.596 2.198 . . . . 20.0 112.549 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 46.3 t -85.07 119.62 25.67 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.308 -0.406 . . . . 20.0 110.288 174.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -111.35 -20.02 12.41 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 116.562 -0.29 . . . . 20.0 111.505 -175.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 55.3 m -69.48 -26.62 64.65 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 111.811 0.301 . . . . 20.0 111.811 -173.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.7 pp -146.31 167.89 22.45 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-O 120.839 0.352 . . . . 20.0 111.026 -178.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.89 116.29 22.7 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.075 -0.511 . . . . 20.0 111.539 -170.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 19.9 pt -142.4 167.05 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 CA-C-N 115.871 -0.604 . . . . 20.0 110.366 171.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -74.17 137.56 43.22 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 110.086 -0.339 . . . . 20.0 110.086 170.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -109.61 96.1 6.05 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.191 -0.459 . . . . 20.0 110.754 -171.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -63.44 154.06 33.38 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.028 -0.533 . . . . 20.0 111.15 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.01 -14.04 60.95 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 116.139 -0.482 . . . . 20.0 111.989 -174.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -80.38 -25.23 39.24 Favored 'General case' 0 CA--C 1.552 1.028 0 O-C-N 122.402 -0.186 . . . . 20.0 111.167 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.19 -35.03 56.13 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 109.852 -0.425 . . . . 20.0 109.852 169.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 2.4 t -72.79 -0.57 13.68 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-N 115.769 -0.65 . . . . 20.0 111.494 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -67.18 162.29 22.83 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-O 121.039 0.447 . . . . 20.0 110.974 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -65.29 151.42 46.25 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.103 -0.499 . . . . 20.0 111.51 -175.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 64.8 m . . . . . 0 N--CA 1.478 0.958 0 CA-C-N 115.834 -0.621 . . . . 20.0 110.822 177.051 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.198 0 O4'-C4'-C3' 108.389 2.789 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.663 0 O4'-C4'-C3' 108.558 2.958 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.625 0 O5'-C5'-C4' 113.947 2.676 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.769 0 O5'-C5'-C4' 115.243 3.602 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.223 0 O4'-C4'-C3' 109.3 3.7 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.619 0 P-O3'-C3' 123.681 3.318 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.643 0 P-O3'-C3' 124.065 3.637 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.892 0 P-O3'-C3' 123.436 3.114 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.055 2 C3'-C2'-C1' 96.144 -4.683 . . . . 20.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.154 0 C5'-C4'-C3' 109.903 -3.198 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.372 0 P-O3'-C3' 123.426 3.105 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.234 0 P-O3'-C3' 122.62 2.434 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.627 0 O4'-C4'-C3' 108.519 2.919 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.405 0 O4'-C4'-C3' 108.755 3.155 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.339 0 O4'-C4'-C3' 108.442 2.842 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.724 0 O5'-C5'-C4' 114.284 2.917 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.709 0 P-O3'-C3' 123.014 2.762 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.61 0 O4'-C4'-C3' 109.187 3.587 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.264 0 P-O3'-C3' 122.749 2.541 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.656 0 C1'-O4'-C4' 105.985 -2.654 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.771 0 O4'-C4'-C3' 108.346 2.746 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.185 0 P-O3'-C3' 122.78 2.567 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.485 0 P-O3'-C3' 123.413 3.094 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.244 0 O5'-C5'-C4' 114.655 3.182 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.497 0 O5'-C5'-C4' 114.699 3.213 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.687 0 O5'-C5'-C4' 115.434 3.738 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.592 2 C3'-C2'-C1' 94.907 -5.566 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.656 0 O3'-P-O5' 99.628 -2.301 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.509 2 O5'-C5'-C4' 116.438 4.455 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.79 0 P-O3'-C3' 123.366 3.055 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.325 0 O5'-C5'-C4' 114.615 3.153 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.134 0 P-O3'-C3' 124.12 3.683 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.854 0 P-O3'-C3' 123.379 3.066 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.483 0 O4'-C4'-C3' 108.566 2.966 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.569 0 P-O3'-C3' 123.15 2.875 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.586 0 O4'-C4'-C3' 108.583 2.983 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.834 0 O4'-C4'-C3' 108.633 3.033 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.31 0 P-O3'-C3' 122.881 2.651 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.867 0 CA-C-O 120.897 0.379 . . . . 20.0 110.951 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -75.73 152.42 37.44 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.853 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -134.16 156.97 47.39 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 116.198 -0.455 . . . . 20.0 110.796 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.5 79.79 5.94 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.102 -0.499 . . . . 20.0 110.331 -179.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 77.5 mtm -55.49 135.66 50.44 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 115.751 -0.659 . . . . 20.0 111.034 -174.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -93.39 69.27 4.24 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.087 -0.506 . . . . 20.0 109.799 173.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.08 139.79 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-N 115.941 -0.572 . . . . 20.0 111.548 -169.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -78.69 158.5 28.33 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.735 -0.666 . . . . 20.0 110.322 170.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -120.41 158.81 26.37 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 116.269 -0.423 . . . . 20.0 111.065 -176.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -94.21 11.69 29.3 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 116.123 -0.49 . . . . 20.0 111.296 -178.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 29.1 p30 -82.41 8.07 12.48 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-O 120.743 0.306 . . . . 20.0 111.183 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 483' ' ' HIS . . . . . 0.453 ' HB3' HD21 ' A' ' 509' ' ' LEU . 55.6 p-80 -161.15 178.55 9.18 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 116.432 -0.349 . . . . 20.0 110.635 177.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -138.5 157.73 45.61 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.966 -0.561 . . . . 20.0 110.299 170.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -101.13 136.19 41.39 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.329 -0.396 . . . . 20.0 110.699 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.7 tp -133.8 116.19 15.41 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.034 -0.53 . . . . 20.0 110.28 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 23.3 mt -85.74 123.43 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 120.944 0.402 . . . . 20.0 110.542 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.86 125.35 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 115.804 -0.635 . . . . 20.0 110.109 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 39.0 t0 50.66 39.37 21.47 Favored 'General case' 0 CA--C 1.565 1.538 0 CA-C-O 120.991 0.424 . . . . 20.0 111.03 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.43 -25.84 7.74 Favored Glycine 0 CA--C 1.546 2.029 0 CA-C-N 116.202 -0.454 . . . . 20.0 112.854 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 58.0 mtm-85 -82.62 134.37 35.17 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.759 0.279 . . . . 20.0 111.086 -177.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 63.2 t -80.07 117.95 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 110.094 -0.336 . . . . 20.0 110.094 170.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -100.37 156.45 17.24 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.158 -0.474 . . . . 20.0 110.226 173.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -121.18 124.62 45.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 20.0 110.099 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 5.6 mt -119.25 128.3 75.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-O 120.85 0.357 . . . . 20.0 110.988 -170.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 4.1 t -67.31 139.07 57.25 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.671 178.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 37.1 pt -69.13 -39.98 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 111.724 0.268 . . . . 20.0 111.724 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 45.6 t -60.89 -63.67 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 N-CA-C 111.798 0.296 . . . . 20.0 111.798 -175.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 28.4 p -105.09 -5.56 20.72 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 112.315 0.487 . . . . 20.0 112.315 -169.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 60.8 mttp 57.51 36.27 26.75 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 122.571 0.349 . . . . 20.0 111.758 -177.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -77.53 133.33 38.55 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 109.809 -0.441 . . . . 20.0 109.809 169.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 28.1 p -94.7 147.41 23.35 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.95 0.405 . . . . 20.0 111.24 -176.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -137.78 138.57 39.36 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.667 -0.697 . . . . 20.0 110.889 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 64.5 t -79.67 -16.94 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 116.046 -0.525 . . . . 20.0 110.927 177.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 75.7 m -135.36 138.4 43.31 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.447 -0.342 . . . . 20.0 110.982 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 17.2 mt -58.31 -35.3 71.66 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.421 -0.354 . . . . 20.0 110.646 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 36.6 p -51.29 -43.59 61.68 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 116.515 -0.311 . . . . 20.0 111.084 177.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 34.6 m -66.78 -40.54 88.21 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.427 -0.351 . . . . 20.0 110.954 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.453 HD21 ' HB3' ' A' ' 483' ' ' HIS . 7.8 tp -61.68 -48.16 82.07 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 116.497 -0.32 . . . . 20.0 110.93 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -47.17 82.41 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 120.683 0.278 . . . . 20.0 110.45 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -55.18 -38.93 68.97 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.058 -0.519 . . . . 20.0 110.966 174.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -74.96 -46.61 34.29 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-N 116.201 -0.454 . . . . 20.0 111.53 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -62.08 -23.28 66.41 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 122.41 -0.181 . . . . 20.0 111.42 -172.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -22.1 60.42 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-N 116.772 -0.194 . . . . 20.0 111.08 174.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 28.6 mt -78.09 -20.57 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 122.523 0.329 . . . . 20.0 111.085 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -96.61 -43.83 7.41 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.686 0.279 . . . . 20.0 111.007 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 81.6 p -79.53 -34.38 41.17 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.399 -0.364 . . . . 20.0 111.3 -176.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 58.6 m95 51.03 36.32 14.97 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 121.2 0.524 . . . . 20.0 110.8 -172.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -68.4 -29.78 68.54 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 115.826 -0.625 . . . . 20.0 111.22 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -127.57 131.68 49.95 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 116.39 -0.368 . . . . 20.0 110.444 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -98.15 143.28 28.84 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.194 -0.457 . . . . 20.0 110.701 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -124.09 79.88 58.43 Favored Pre-proline 0 CA--C 1.549 0.918 0 CA-C-N 116.067 -0.515 . . . . 20.0 110.135 172.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -79.33 154.11 24.55 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.849 2.366 . . . . 20.0 112.645 -174.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 46.9 t -92.64 143.15 26.6 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 115.814 -0.63 . . . . 20.0 110.684 177.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -76.81 -35.01 57.88 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 120.924 0.392 . . . . 20.0 110.749 176.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -80.77 -27.71 36.65 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 115.739 -0.664 . . . . 20.0 111.62 -170.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 18.8 p -141.78 162.47 35.41 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 120.692 0.282 . . . . 20.0 110.706 176.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -79.8 31.68 0.25 Allowed 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 120.736 0.303 . . . . 20.0 111.596 -174.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -92.83 152.98 19.13 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 120.766 0.317 . . . . 20.0 110.979 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 10.9 t -129.27 135.47 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 CA-C-N 115.956 -0.566 . . . . 20.0 110.611 173.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -105.65 153.6 39.8 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 116.116 -0.493 . . . . 20.0 110.745 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -85.41 -4.55 9.34 Favored 'Trans proline' 0 CA--C 1.552 1.392 0 C-N-CA 122.961 2.441 . . . . 20.0 112.623 175.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.7 mp -130.82 143.65 50.89 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.703 0.401 . . . . 20.0 110.155 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -70.82 -42.45 70.23 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 120.588 0.232 . . . . 20.0 111.189 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.3 -34.56 76.83 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.58 0.229 . . . . 20.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -63.95 -37.95 89.29 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.719 -0.219 . . . . 20.0 110.535 175.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -58.61 -51.31 70.47 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.952 0.406 . . . . 20.0 110.082 173.253 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . 0.467 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 54.1 m -61.54 -56.04 24.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.833 -0.621 . . . . 20.0 111.193 -174.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -59.71 -36.88 77.44 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 116.799 -0.182 . . . . 20.0 110.91 -178.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -65.69 -46.86 77.44 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 120.708 0.29 . . . . 20.0 111.019 177.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -67.41 -30.38 70.13 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-O 120.62 0.248 . . . . 20.0 111.021 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 33.3 mt -63.35 -43.39 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 110.023 -0.362 . . . . 20.0 110.023 169.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -64.49 -31.13 72.21 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 116.289 -0.414 . . . . 20.0 111.087 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -68.88 -22.15 64.2 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 116.63 -0.259 . . . . 20.0 111.135 175.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 22.8 m -99.34 -30.94 11.93 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 116.489 -0.323 . . . . 20.0 111.101 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 83.81 17.06 66.45 Favored Glycine 0 CA--C 1.541 1.685 0 C-N-CA 121.528 -0.367 . . . . 20.0 112.378 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -58.5 123.11 15.11 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.881 0.372 . . . . 20.0 110.806 -176.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 44.4 mmt-85 -88.73 116.6 27.11 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.258 -0.428 . . . . 20.0 110.232 174.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -113.24 -32.35 6.32 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 116.101 -0.5 . . . . 20.0 111.194 -173.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -93.53 90.02 6.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.994 0.426 . . . . 20.0 110.414 -176.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -87.42 130.98 34.46 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.811 -177.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 45.9 t -76.14 154.0 35.78 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 116.295 -0.411 . . . . 20.0 110.078 171.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 83.8 mt -115.02 -20.03 10.66 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.528 -0.306 . . . . 20.0 111.298 -176.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.21 -50.1 17.27 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-O 120.522 0.201 . . . . 20.0 111.074 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 29.4 p -120.1 -9.56 9.57 Favored 'General case' 0 CA--C 1.564 1.502 0 N-CA-C 111.845 0.313 . . . . 20.0 111.845 -177.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 96.57 -12.76 66.07 Favored Glycine 0 CA--C 1.557 2.675 0 C-N-CA 121.148 -0.549 . . . . 20.0 113.499 171.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -56.11 127.84 32.58 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-N 117.189 0.494 . . . . 20.0 111.326 -176.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 68.6 m -104.69 142.77 34.1 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 120.78 0.324 . . . . 20.0 111.291 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -130.25 163.25 27.16 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.057 0.456 . . . . 20.0 111.428 -174.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 2.6 tt -82.89 -24.1 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 CA-C-N 115.98 -0.555 . . . . 20.0 111.794 -172.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 55.7 p30 -153.9 173.0 16.51 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-O 121.128 0.489 . . . . 20.0 111.507 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -62.91 -40.29 97.14 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.741 -0.663 . . . . 20.0 111.206 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -57.32 -45.47 84.2 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.356 -0.384 . . . . 20.0 111.022 -174.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -69.97 -45.36 67.55 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.611 -0.268 . . . . 20.0 110.963 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . 0.456 ' SD ' HD12 ' A' ' 569' ' ' ILE . 12.5 tmm? -57.46 -50.97 71.3 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-O 120.577 0.227 . . . . 20.0 111.186 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 48.0 t -64.38 -43.99 92.74 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.674 -0.239 . . . . 20.0 110.777 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 34.1 t -57.72 -46.13 84.83 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.629 0.252 . . . . 20.0 110.806 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -61.34 -46.41 90.37 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.479 -0.328 . . . . 20.0 111.201 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . 0.456 HD12 ' SD ' ' A' ' 565' ' ' MET . 47.8 mt -62.64 -40.92 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-N 116.877 -0.147 . . . . 20.0 110.728 -178.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -66.14 -44.05 85.27 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 120.51 0.195 . . . . 20.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 68.5 m -75.63 -36.58 60.19 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.649 -0.251 . . . . 20.0 111.638 -174.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 77.6 t -96.92 -50.11 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 N-CA-C 111.487 0.18 . . . . 20.0 111.487 -171.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -100.19 -21.4 15.54 Favored 'General case' 0 CA--C 1.557 1.236 0 CA-C-N 116.607 -0.269 . . . . 20.0 111.604 -173.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 34.0 m 55.06 41.97 31.3 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 122.884 0.473 . . . . 20.0 111.339 -177.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -117.02 175.25 5.67 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 116.161 -0.472 . . . . 20.0 111.041 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -111.14 111.32 55.92 Favored Pre-proline 0 CA--C 1.563 1.47 0 CA-C-N 116.257 -0.428 . . . . 20.0 111.355 -172.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -86.99 0.35 7.67 Favored 'Trans proline' 0 CA--C 1.565 2.049 0 C-N-CA 123.326 2.684 . . . . 20.0 113.35 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 37.6 t -54.55 -30.11 53.08 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 112.418 0.525 . . . . 20.0 112.418 -169.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -124.27 -169.24 13.04 Favored Glycine 0 N--CA 1.48 1.581 0 N-CA-C 111.048 -0.821 . . . . 20.0 111.048 171.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -75.48 74.78 2.53 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 117.411 0.606 . . . . 20.0 110.712 177.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 68.2 m -82.86 0.6 43.36 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 115.975 -0.557 . . . . 20.0 111.145 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt 62.88 48.23 4.1 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.067 0.461 . . . . 20.0 110.864 -173.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 48.1 mt -116.72 -30.0 5.91 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 115.831 -0.622 . . . . 20.0 111.355 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -143.09 155.28 44.57 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.943 0.402 . . . . 20.0 111.001 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -134.73 129.21 34.34 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.964 -0.562 . . . . 20.0 110.153 178.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.5 tt -97.36 107.89 20.5 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.426 -0.352 . . . . 20.0 110.481 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -79.95 157.36 73.95 Favored Pre-proline 0 CA--C 1.552 1.02 0 CA-C-N 116.334 -0.394 . . . . 20.0 110.906 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -59.5 151.73 66.86 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.477 2.118 . . . . 20.0 112.045 177.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 47.3 t -75.95 117.05 17.27 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.68 0.276 . . . . 20.0 110.39 174.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -102.39 -28.94 11.93 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.036 -0.529 . . . . 20.0 111.336 -174.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 27.0 p -64.75 -28.12 69.36 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 111.782 0.29 . . . . 20.0 111.782 -173.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.4 pp -149.8 166.39 29.6 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 120.95 0.405 . . . . 20.0 111.256 -176.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.34 122.43 31.85 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.044 -0.525 . . . . 20.0 111.397 -172.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 29.0 pt -142.45 172.1 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-N 115.7 -0.682 . . . . 20.0 109.94 173.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . 0.416 HH22 " H1'" ' E' ' 27' ' ' ' DG' . 21.6 ptt180 -68.91 133.65 48.51 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.81 -0.441 . . . . 20.0 109.81 169.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -109.03 97.1 6.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.002 0.43 . . . . 20.0 110.38 -175.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -53.66 149.17 8.61 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.748 -0.66 . . . . 20.0 110.826 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -60.05 -19.38 52.57 Favored 'General case' 0 CA--C 1.557 1.222 0 N-CA-C 112.175 0.435 . . . . 20.0 112.175 -174.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -76.86 -20.4 56.34 Favored 'General case' 0 CA--C 1.555 1.153 0 O-C-N 122.326 -0.233 . . . . 20.0 111.031 176.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.15 -32.95 16.42 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-O 120.799 0.333 . . . . 20.0 110.514 169.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 1.7 t -80.25 -13.63 59.05 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 116.245 -0.434 . . . . 20.0 112.047 -169.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -133.7 135.93 44.36 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 120.844 0.354 . . . . 20.0 110.96 -176.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -139.05 139.44 37.78 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.116 -0.493 . . . . 20.0 110.812 178.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 90.8 p . . . . . 0 N--CA 1.495 1.8 0 C-N-CA 123.1 0.56 . . . . 20.0 111.624 179.12 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.192 0 O5'-C5'-C4' 114.095 2.782 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.509 0 O5'-C5'-C4' 114.432 3.023 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.43 0 C1'-O4'-C4' 105.323 -3.126 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.976 2 O5'-C5'-C4' 116.492 4.494 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.369 0 O5'-C5'-C4' 114.613 3.152 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.361 0 O5'-C5'-C4' 114.355 2.968 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.6 0 P-O3'-C3' 123.709 3.341 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.618 0 O4'-C4'-C3' 109.027 3.427 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.953 0 O5'-C5'-C4' 115.561 3.829 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.326 0 P-O3'-C3' 122.983 2.736 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.382 0 P-O3'-C3' 123.287 2.989 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.36 0 O4'-C4'-C3' 108.593 2.993 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.382 0 P-O3'-C3' 122.848 2.623 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.239 0 P-O3'-C3' 124.217 3.764 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.411 0 O4'-C4'-C3' 108.399 2.799 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.453 0 P-O3'-C3' 122.772 2.56 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.961 0 P-O3'-C3' 122.794 2.578 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.054 0 P-O3'-C3' 123.63 3.275 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.36 0 C1'-O4'-C4' 105.918 -2.702 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.697 0 C1'-O4'-C4' 105.698 -2.858 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.683 0 O5'-C5'-C4' 114.211 2.865 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.477 0 P-O3'-C3' 122.977 2.731 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.782 0 P-O3'-C3' 123.049 2.791 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.03 0 O5'-C5'-C4' 114.354 2.967 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.143 0 O4'-C4'-C3' 108.774 3.174 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.056 0 O5'-C5'-C4' 114.262 2.901 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 27' ' ' ' DG' . . . . . 0.416 " H1'" HH22 ' A' ' 595' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 3.056 2 C3'-C2'-C1' 94.908 -5.566 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.409 -1.707 0 C4'-C3'-O3' 105.112 -2.358 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.575 -2.663 0 O5'-C5'-C4' 115.132 3.523 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.286 0 O4'-C4'-C3' 108.06 2.46 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.639 2.689 0 O4'-C4'-C3' 108.651 3.051 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.073 0 P-O3'-C3' 124.161 3.717 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.774 0 O5'-C5'-C4' 114.808 3.292 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.484 0 P-O3'-C3' 123.049 2.791 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.427 0 P-O3'-C3' 123.147 2.872 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.652 0 O4'-C4'-C3' 108.518 2.918 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.623 0 O4'-C4'-C3' 108.495 2.895 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 0 P-O3'-C3' 122.803 2.586 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.956 0 CA-C-O 120.776 0.322 . . . . 20.0 110.949 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -134.38 154.88 51.11 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.173 -0.467 . . . . 20.0 110.725 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -75.79 151.23 37.58 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 116.279 -0.419 . . . . 20.0 110.745 177.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 50.3 mtt85 -149.46 156.12 41.5 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 116.144 -0.48 . . . . 20.0 110.432 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 67.0 mtt -98.11 79.37 2.58 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 120.986 0.422 . . . . 20.0 110.43 174.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.19 81.37 1.37 Allowed 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 115.929 -0.578 . . . . 20.0 110.289 -179.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.04 173.68 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 116.154 -0.475 . . . . 20.0 110.967 -175.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -145.91 157.16 43.9 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 116.114 -0.493 . . . . 20.0 110.634 173.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -131.95 157.45 44.02 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 116.025 -0.534 . . . . 20.0 110.94 -175.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -92.97 26.6 2.72 Favored 'General case' 0 CA--C 1.556 1.209 0 CA-C-N 116.179 -0.464 . . . . 20.0 111.335 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 -83.94 12.3 6.42 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.501 -0.318 . . . . 20.0 111.193 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 483' ' ' HIS . . . . . 0.461 ' HB3' HD21 ' A' ' 509' ' ' LEU . 57.0 p-80 -162.0 178.36 8.92 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.007 0.432 . . . . 20.0 111.415 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -137.99 159.12 42.87 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.419 -0.809 . . . . 20.0 109.704 169.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -98.44 136.31 38.76 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.843 0.354 . . . . 20.0 110.893 -175.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 16.9 tp -136.55 115.3 12.1 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.007 -0.542 . . . . 20.0 110.33 177.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 23.8 mt -86.22 124.47 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.886 0.374 . . . . 20.0 110.635 -178.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 49.2 t -136.17 125.17 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 115.829 -0.623 . . . . 20.0 110.126 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 36.1 t0 49.77 41.0 21.56 Favored 'General case' 0 CA--C 1.564 1.49 0 CA-C-O 121.067 0.461 . . . . 20.0 111.086 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.15 -22.63 14.15 Favored Glycine 0 CA--C 1.547 2.08 0 CA-C-N 116.216 -0.447 . . . . 20.0 113.004 176.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 57.2 mtt85 -88.23 136.36 33.02 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 116.905 0.352 . . . . 20.0 110.961 -176.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 92.0 t -80.8 117.22 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.131 171.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -96.87 150.0 21.23 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.285 172.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -114.3 117.96 32.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 20.0 110.052 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.8 mt -112.63 128.29 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-N 116.396 -0.366 . . . . 20.0 111.037 -170.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.5 t -64.36 135.15 55.88 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 116.235 -0.439 . . . . 20.0 110.787 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 12.8 pt -67.96 -40.81 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 N-CA-C 111.693 0.257 . . . . 20.0 111.693 -175.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.76 -63.54 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 N-CA-C 111.831 0.308 . . . . 20.0 111.831 -175.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 30.3 p -105.13 -2.74 23.89 Favored 'General case' 0 CA--C 1.563 1.45 0 CA-C-N 116.044 -0.525 . . . . 20.0 112.382 -169.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 58.04 40.65 25.18 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 122.616 0.367 . . . . 20.0 111.782 -177.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -82.41 130.86 35.2 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 116.366 -0.379 . . . . 20.0 110.182 169.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 37.1 p -95.42 152.23 18.58 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 120.941 0.4 . . . . 20.0 111.407 -176.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -142.68 144.52 32.77 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.742 -0.663 . . . . 20.0 111.13 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 92.5 t -79.27 -21.91 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 116.09 -0.504 . . . . 20.0 110.835 174.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 83.6 m -132.11 136.26 47.01 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.43 -0.35 . . . . 20.0 110.959 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 13.5 mt -56.25 -33.08 65.09 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-N 116.39 -0.368 . . . . 20.0 110.828 175.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 507' ' ' THR . . . . . 0.405 HG22 ' H73' ' E' ' 26' ' ' ' DT' . 82.2 p -55.2 -40.71 71.08 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 116.491 -0.322 . . . . 20.0 110.926 178.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 6.2 m -70.53 -38.06 74.18 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.32 -0.4 . . . . 20.0 110.792 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 483' ' ' HIS . 1.2 tp -63.46 -47.25 82.58 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 116.416 -0.356 . . . . 20.0 110.842 177.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -47.0 84.88 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 120.679 0.276 . . . . 20.0 110.628 176.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -54.63 -46.92 73.99 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 116.13 -0.487 . . . . 20.0 110.907 175.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -70.91 -46.51 62.39 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.266 -0.425 . . . . 20.0 111.399 -176.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -61.95 -23.56 66.45 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.664 -0.244 . . . . 20.0 111.059 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -20.54 49.17 Favored 'General case' 0 CA--C 1.566 1.586 0 CA-C-N 116.596 -0.274 . . . . 20.0 111.215 174.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 25.6 mt -81.89 -18.75 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 122.493 0.317 . . . . 20.0 111.164 178.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -98.63 -46.46 5.7 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 120.748 0.309 . . . . 20.0 110.686 177.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 84.5 p -76.89 -34.64 57.74 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.201 -0.454 . . . . 20.0 111.365 -176.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 65.4 m95 53.03 37.58 25.08 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.365 0.603 . . . . 20.0 110.033 -169.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -60.29 -37.12 79.52 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.433 -0.803 . . . . 20.0 110.951 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -134.5 122.6 22.66 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 116.231 -0.441 . . . . 20.0 110.612 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -89.99 149.62 22.48 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.522 -0.308 . . . . 20.0 110.732 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -127.76 79.94 72.78 Favored Pre-proline 0 CA--C 1.551 1.019 0 CA-C-N 116.145 -0.479 . . . . 20.0 110.685 177.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -69.82 150.43 67.84 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.84 2.36 . . . . 20.0 112.607 -178.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 44.0 t -90.91 144.45 25.67 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 115.958 -0.564 . . . . 20.0 110.487 174.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -77.93 -39.99 41.07 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 120.79 0.329 . . . . 20.0 110.978 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -80.27 -20.91 43.35 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-N 115.988 -0.551 . . . . 20.0 111.897 -169.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.5 p -145.06 163.92 32.78 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 120.787 0.327 . . . . 20.0 110.693 174.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -80.78 29.63 0.32 Allowed 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 120.751 0.31 . . . . 20.0 111.756 -174.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -88.17 149.25 23.99 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 116.536 -0.302 . . . . 20.0 110.953 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 27.0 t -125.77 133.88 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-N 116.233 -0.439 . . . . 20.0 110.49 172.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -103.31 151.26 38.55 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-N 116.186 -0.461 . . . . 20.0 110.692 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -84.86 -2.97 9.77 Favored 'Trans proline' 0 CA--C 1.554 1.516 0 C-N-CA 122.902 2.401 . . . . 20.0 112.345 173.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 7.0 mp -131.63 135.64 47.1 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.872 0.469 . . . . 20.0 110.126 177.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.6 -42.26 87.16 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 120.542 0.211 . . . . 20.0 111.2 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -62.28 -35.35 78.74 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 116.568 -0.287 . . . . 20.0 110.981 -179.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -66.39 -35.9 81.49 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.577 -0.283 . . . . 20.0 110.751 176.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.0 OUTLIER -59.54 -50.42 73.95 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.541 -0.3 . . . . 20.0 110.264 172.455 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . 0.433 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 6.0 m -59.56 -53.57 56.55 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.324 -0.398 . . . . 20.0 110.724 -176.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -56.23 -40.05 73.5 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 116.593 -0.276 . . . . 20.0 110.979 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -67.15 -44.76 78.97 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-O 120.655 0.264 . . . . 20.0 111.198 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -69.39 -29.56 67.35 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-O 120.505 0.193 . . . . 20.0 111.085 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 36.7 mt -64.39 -30.83 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-O 120.715 0.293 . . . . 20.0 110.493 170.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 543' ' ' HIS . . . . . 0.42 ' HA ' HD11 ' A' ' 560' ' ' ILE . 1.9 t-80 -76.38 -28.57 56.79 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.343 -0.389 . . . . 20.0 111.126 177.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -74.3 -43.38 56.99 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 120.76 0.314 . . . . 20.0 110.781 174.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 23.6 p -83.13 -16.03 48.39 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 116.189 -0.459 . . . . 20.0 111.29 -176.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 72.59 17.01 77.73 Favored Glycine 0 CA--C 1.544 1.862 0 C-N-CA 121.543 -0.36 . . . . 20.0 112.749 175.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -58.84 124.29 19.33 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 120.906 0.384 . . . . 20.0 111.07 -175.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -100.2 80.08 2.23 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.203 -0.453 . . . . 20.0 110.689 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -76.77 -29.96 56.32 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-N 116.231 -0.441 . . . . 20.0 111.53 -174.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -94.02 100.01 12.21 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.825 0.345 . . . . 20.0 110.678 -172.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -101.37 132.65 46.84 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.328 -0.396 . . . . 20.0 111.122 -174.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 49.5 t -70.33 149.75 47.04 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 116.046 -0.525 . . . . 20.0 110.237 169.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 91.8 mt -105.92 -16.58 14.6 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 120.543 0.211 . . . . 20.0 111.35 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.1 -48.6 23.02 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 116.77 -0.195 . . . . 20.0 111.05 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 28.1 p -120.07 -2.84 10.16 Favored 'General case' 0 CA--C 1.561 1.403 0 N-CA-C 111.871 0.323 . . . . 20.0 111.871 -176.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 81.28 -3.43 77.44 Favored Glycine 0 CA--C 1.556 2.611 0 C-N-CA 121.019 -0.61 . . . . 20.0 113.594 172.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -68.89 141.71 54.97 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 117.424 0.612 . . . . 20.0 111.051 -176.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 17.0 m -109.28 138.64 45.33 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 116.3 -0.409 . . . . 20.0 111.14 -175.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -124.04 157.21 35.02 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 116.027 -0.533 . . . . 20.0 110.953 -175.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.42 HD11 ' HA ' ' A' ' 543' ' ' HIS . 1.6 tt -73.87 -26.04 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 116.038 -0.528 . . . . 20.0 111.63 -171.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 38.6 p30 -156.21 169.78 23.75 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-O 121.132 0.492 . . . . 20.0 111.171 -176.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -60.8 -35.7 77.16 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.871 -0.604 . . . . 20.0 111.288 -177.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -65.49 -45.72 82.51 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.557 -0.292 . . . . 20.0 110.992 -174.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -64.88 -44.38 89.85 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.597 -0.274 . . . . 20.0 110.617 176.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 33.7 ttp -56.93 -48.38 78.44 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.493 -0.321 . . . . 20.0 110.923 178.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 39.8 t -62.34 -46.93 86.48 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.477 -0.329 . . . . 20.0 110.772 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 17.7 t -59.4 -41.12 88.67 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.483 -0.326 . . . . 20.0 110.824 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -63.83 -48.06 78.3 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.338 -0.392 . . . . 20.0 111.027 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.94 -38.18 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 120.646 0.26 . . . . 20.0 110.677 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -68.01 -45.51 73.83 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.432 -0.349 . . . . 20.0 111.032 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 25.0 p -76.59 -35.06 58.36 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 111.934 0.346 . . . . 20.0 111.934 -173.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 72.9 t -96.2 -47.18 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 N-CA-C 111.427 0.158 . . . . 20.0 111.427 -172.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -100.04 -5.16 28.49 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.664 -0.244 . . . . 20.0 111.534 -173.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 1.9 t 55.93 37.71 29.17 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 120.929 0.395 . . . . 20.0 111.174 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -129.92 160.12 34.53 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.172 -0.467 . . . . 20.0 110.716 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -105.5 110.81 64.69 Favored Pre-proline 0 CA--C 1.55 0.981 0 CA-C-N 116.24 -0.436 . . . . 20.0 110.697 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -75.63 -18.0 17.75 Favored 'Trans proline' 0 CA--C 1.547 1.163 0 C-N-CA 122.586 2.191 . . . . 20.0 112.492 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 8.8 t -76.55 -12.49 60.03 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 120.693 0.283 . . . . 20.0 110.989 177.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -81.74 -130.34 1.21 Allowed Glycine 0 CA--C 1.54 1.601 0 N-CA-C 112.231 -0.348 . . . . 20.0 112.231 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -120.03 29.75 7.36 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-O 120.803 0.335 . . . . 20.0 111.107 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 53.5 p -90.34 -46.51 8.34 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 116.541 -0.3 . . . . 20.0 111.134 -177.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt 58.09 76.3 0.34 Allowed 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.344 0.593 . . . . 20.0 110.938 -177.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 4.9 mt -110.15 22.96 14.94 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 115.452 -0.794 . . . . 20.0 111.328 -174.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -152.68 165.22 35.97 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.004 0.43 . . . . 20.0 111.451 -173.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -140.36 133.55 29.62 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.845 -0.616 . . . . 20.0 110.398 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -98.58 107.28 19.7 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 116.452 -0.34 . . . . 20.0 110.522 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -79.92 160.54 68.64 Favored Pre-proline 0 CA--C 1.553 1.079 0 CA-C-N 116.165 -0.471 . . . . 20.0 110.909 -178.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -60.04 149.31 85.22 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 122.626 2.217 . . . . 20.0 112.384 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 18.2 t -84.52 112.37 20.34 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.245 -0.434 . . . . 20.0 110.372 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 52.1 mmm-85 -105.51 -34.83 7.66 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 116.517 -0.31 . . . . 20.0 111.27 -172.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 32.3 m -67.87 -23.19 65.1 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 115.915 -0.584 . . . . 20.0 111.807 -170.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 3.4 mt -102.02 175.09 5.65 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.169 0.509 . . . . 20.0 111.478 -178.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -108.55 98.07 7.64 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.317 -0.856 . . . . 20.0 109.733 169.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 17.8 pt -140.67 171.74 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 116.261 -0.427 . . . . 20.0 110.607 -175.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -75.57 140.93 42.98 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 110.137 -0.32 . . . . 20.0 110.137 171.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -112.64 97.98 6.94 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.951 0.405 . . . . 20.0 110.881 -170.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -55.13 137.77 45.99 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.055 -0.52 . . . . 20.0 110.768 178.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -67.9 -15.59 63.69 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 112.045 0.387 . . . . 20.0 112.045 -171.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -76.53 -16.47 59.62 Favored 'General case' 0 CA--C 1.554 1.126 0 O-C-N 122.453 -0.154 . . . . 20.0 111.293 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -81.41 -33.31 32.29 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 120.587 0.232 . . . . 20.0 110.592 171.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 26.0 t -60.83 -70.21 0.19 Allowed 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 116.245 -0.434 . . . . 20.0 110.63 -178.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -157.71 137.1 11.92 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.778 0.323 . . . . 20.0 110.703 176.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -52.64 136.19 33.36 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 116.216 -0.447 . . . . 20.0 111.161 -177.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.484 1.268 0 CA-C-N 115.881 -0.599 . . . . 20.0 111.15 179.676 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.419 0 O4'-C4'-C3' 107.694 2.094 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.454 0 O4'-C4'-C3' 108.721 3.121 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.572 0 O5'-C5'-C4' 114.433 3.023 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.927 1 O5'-C5'-C4' 116.181 4.272 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.515 0 O5'-C5'-C4' 115.002 3.43 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.351 0 O5'-C5'-C4' 114.452 3.037 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.57 0 O4'-C4'-C3' 109.003 3.403 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.444 0 P-O3'-C3' 123.395 3.079 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.463 0 C3'-C2'-C1' 98.107 -3.281 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.275 0 O3'-P-O5' 97.205 -3.576 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.285 0 P-O3'-C3' 123.599 3.249 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.052 0 P-O3'-C3' 122.894 2.662 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.305 0 P-O3'-C3' 123.051 2.793 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.555 0 P-O3'-C3' 124.255 3.796 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.36 0 O4'-C4'-C3' 108.299 2.699 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.374 0 P-O3'-C3' 122.716 2.514 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.903 0 O4'-C4'-C3' 109.589 3.989 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.08 0 O4'-C4'-C3' 108.987 3.387 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.391 0 C1'-O4'-C4' 105.88 -2.729 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.537 0 C1'-O4'-C4' 105.812 -2.777 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.73 0 O5'-C5'-C4' 114.033 2.738 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.239 0 O5'-C5'-C4' 113.88 2.628 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.531 0 P-O3'-C3' 123.368 3.057 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.189 0 C1'-O4'-C4' 105.778 -2.801 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.341 0 O5'-C5'-C4' 115.572 3.837 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 26' ' ' ' DT' . . . . . 0.405 ' H73' HG22 ' A' ' 507' ' ' THR . . . . . . . . 0 P--O5' 1.632 3.89 1 O5'-C5'-C4' 116.154 4.253 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.037 1 C3'-C2'-C1' 96.441 -4.47 . . . . 20.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.523 1.492 0 P-O3'-C3' 123.761 3.384 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.849 0 C1'-O4'-C4' 106.725 -2.125 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.566 0 O4'-C4'-C3' 108.309 2.709 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.273 0 C1'-O4'-C4' 105.068 -3.308 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.698 1 P-O3'-C3' 125.228 4.607 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.88 0 O5'-C5'-C4' 114.821 3.301 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.491 0 P-O3'-C3' 122.936 2.697 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.514 0 O4'-C4'-C3' 108.409 2.809 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.664 0 O4'-C4'-C3' 108.609 3.009 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.602 0 O4'-C4'-C3' 108.651 3.051 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.166 0 P-O3'-C3' 122.936 2.696 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.893 0 CA-C-O 120.919 0.39 . . . . 20.0 110.892 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 51.9 p30 -148.7 170.67 17.64 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 116.198 -0.455 . . . . 20.0 110.932 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -75.37 152.49 38.06 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 116.235 -0.439 . . . . 20.0 111.07 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -144.69 133.76 22.72 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 116.115 -0.493 . . . . 20.0 110.37 178.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -95.64 79.63 3.38 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 120.92 0.391 . . . . 20.0 110.903 -175.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.88 49.87 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 116.0 -0.546 . . . . 20.0 110.349 173.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 30.6 m -122.39 155.77 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 CA-C-N 115.598 -0.728 . . . . 20.0 110.876 -177.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -74.8 157.79 34.56 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 116.218 -0.446 . . . . 20.0 110.636 176.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -137.08 118.37 14.59 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.226 -0.443 . . . . 20.0 110.96 -178.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -87.65 7.45 29.9 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 116.063 -0.517 . . . . 20.0 110.83 174.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -79.06 7.62 7.09 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 122.591 0.357 . . . . 20.0 111.467 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -153.81 168.78 25.18 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.83 0.347 . . . . 20.0 110.914 177.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -133.55 156.48 47.72 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.95 -0.568 . . . . 20.0 110.067 169.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -109.21 126.67 53.54 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.015 0.436 . . . . 20.0 110.84 -174.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.4 tp -121.05 113.8 20.57 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.742 -0.663 . . . . 20.0 110.184 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 24.8 mt -85.04 122.7 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 120.88 0.371 . . . . 20.0 110.494 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 46.1 t -134.92 125.31 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 115.867 -0.606 . . . . 20.0 110.137 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 37.1 t0 50.07 39.01 18.2 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 121.012 0.434 . . . . 20.0 111.073 -178.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 87.27 -17.28 43.89 Favored Glycine 0 CA--C 1.55 2.254 0 CA-C-N 116.27 -0.423 . . . . 20.0 113.014 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -92.1 135.21 34.16 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 116.956 0.378 . . . . 20.0 111.124 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 70.4 t -80.04 122.47 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 116.377 -0.374 . . . . 20.0 110.153 172.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -109.23 114.75 28.71 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.44 -0.346 . . . . 20.0 110.567 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -79.83 124.18 28.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.331 -0.395 . . . . 20.0 110.17 177.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.0 mt -118.64 131.69 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-O 120.837 0.351 . . . . 20.0 110.87 -172.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 496' ' ' CYS . . . . . 0.875 ' HG ' 'ZN ' ' A' ' 701' ' ' ' ZN' . 5.5 t -67.39 135.57 53.39 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.04 -0.527 . . . . 20.0 110.617 176.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 42.7 pt -68.31 -39.55 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 N-CA-C 111.549 0.203 . . . . 20.0 111.549 -176.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 44.9 t -60.91 -64.27 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 N-CA-C 111.96 0.355 . . . . 20.0 111.96 -176.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 31.5 p -104.98 -6.29 20.2 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 112.459 0.54 . . . . 20.0 112.459 -169.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 60.51 38.44 19.03 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 122.643 0.377 . . . . 20.0 111.881 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -80.98 129.41 34.52 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 110.012 -0.366 . . . . 20.0 110.012 169.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 30.9 p -93.65 144.43 25.4 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 120.942 0.401 . . . . 20.0 111.372 -175.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -135.89 135.7 39.91 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.739 -0.664 . . . . 20.0 110.819 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 50.7 t -72.98 -18.35 18.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 116.062 -0.517 . . . . 20.0 110.966 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 86.4 m -127.92 164.92 21.23 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 120.931 0.396 . . . . 20.0 110.88 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 10.4 mt -82.13 -33.05 29.81 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.189 -0.46 . . . . 20.0 110.618 172.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 40.7 p -60.04 -40.09 88.19 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 116.624 -0.262 . . . . 20.0 111.232 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 2.6 p -70.47 -36.74 74.06 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.604 -0.271 . . . . 20.0 111.043 177.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 2.8 tp -64.67 -47.2 79.3 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 116.75 -0.204 . . . . 20.0 110.838 175.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -54.91 -49.99 69.89 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 120.745 0.307 . . . . 20.0 110.551 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -55.0 -47.47 74.62 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 115.924 -0.58 . . . . 20.0 110.842 175.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -66.58 -45.59 78.76 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.175 -0.466 . . . . 20.0 111.51 -174.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -61.14 -23.79 65.8 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 120.497 0.189 . . . . 20.0 111.353 -173.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -24.93 63.62 Favored 'General case' 0 CA--C 1.563 1.444 0 CA-C-N 116.808 -0.178 . . . . 20.0 111.089 175.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 32.3 mt -75.13 -21.29 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 122.443 0.297 . . . . 20.0 111.144 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -95.89 -42.0 8.52 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.686 0.279 . . . . 20.0 111.042 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 95.7 p -73.95 -37.34 64.58 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.509 -0.314 . . . . 20.0 111.289 -176.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 70.4 m95 50.27 30.84 4.69 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.181 0.515 . . . . 20.0 110.513 -169.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.06 -33.21 70.03 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.875 -0.602 . . . . 20.0 110.657 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -126.31 116.82 21.82 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.055 -0.521 . . . . 20.0 110.393 177.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -93.86 147.06 23.43 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.353 -0.385 . . . . 20.0 110.754 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -122.68 80.01 48.2 Favored Pre-proline 0 CA--C 1.547 0.843 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.271 176.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -76.02 136.28 18.21 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.787 2.325 . . . . 20.0 112.449 -177.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.83 142.16 57.43 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.881 -0.599 . . . . 20.0 110.664 176.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -76.94 -33.16 57.71 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 116.686 -0.234 . . . . 20.0 111.172 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -87.98 -19.93 26.55 Favored 'General case' 0 CA--C 1.56 1.36 0 N-CA-C 112.073 0.397 . . . . 20.0 112.073 -172.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 17.1 p -144.75 170.25 16.47 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-O 120.833 0.349 . . . . 20.0 110.905 177.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -80.46 3.38 21.64 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 111.941 0.348 . . . . 20.0 111.941 -173.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -68.17 142.35 55.74 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 120.772 0.32 . . . . 20.0 111.013 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 15.9 t -120.82 134.65 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-N 116.137 -0.483 . . . . 20.0 110.679 175.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -106.02 150.28 39.1 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.02 -0.536 . . . . 20.0 110.609 177.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -84.15 -5.43 10.36 Favored 'Trans proline' 0 CA--C 1.55 1.313 0 C-N-CA 122.848 2.365 . . . . 20.0 112.57 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 9.5 mp -130.95 143.75 50.96 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.77 0.428 . . . . 20.0 110.092 177.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.07 -46.31 78.17 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 120.672 0.272 . . . . 20.0 111.054 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.03 -36.44 79.56 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 116.615 -0.266 . . . . 20.0 111.128 -177.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -64.38 -39.06 93.13 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.431 0.158 . . . . 20.0 110.718 177.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -49.54 71.96 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.609 -0.268 . . . . 20.0 110.327 173.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 36.3 m -52.83 -56.15 17.87 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.494 -0.321 . . . . 20.0 110.845 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -61.73 -33.3 73.81 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.745 -0.207 . . . . 20.0 111.044 -177.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -70.56 -40.4 73.37 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 120.635 0.255 . . . . 20.0 110.851 177.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -67.19 -32.47 73.57 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 122.335 -0.228 . . . . 20.0 110.671 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 38.8 mt -65.45 -25.05 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 CA-C-O 120.725 0.298 . . . . 20.0 110.69 171.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -74.97 -26.26 59.46 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.376 -0.375 . . . . 20.0 110.976 173.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -79.15 -42.28 26.56 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 120.536 0.207 . . . . 20.0 110.98 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 67.9 p -72.09 -35.34 69.18 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 120.599 0.237 . . . . 20.0 110.792 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 88.33 11.32 66.96 Favored Glycine 0 CA--C 1.54 1.616 0 CA-C-N 116.398 -0.365 . . . . 20.0 112.442 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -65.37 132.69 49.64 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 120.853 0.359 . . . . 20.0 110.976 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -87.13 143.21 27.4 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.894 0.378 . . . . 20.0 110.675 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.25 -53.98 2.57 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 116.042 -0.526 . . . . 20.0 110.898 -177.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -105.06 124.3 49.29 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.179 -0.464 . . . . 20.0 110.97 -175.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -102.08 131.04 48.78 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.334 -0.394 . . . . 20.0 110.462 174.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 43.7 t -68.92 144.41 54.19 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.292 -0.413 . . . . 20.0 110.047 172.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 86.5 mt -102.67 -16.31 16.07 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 120.525 0.203 . . . . 20.0 111.364 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.23 -49.14 20.31 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-N 116.695 -0.23 . . . . 20.0 111.15 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 31.0 p -120.07 -5.24 10.02 Favored 'General case' 0 CA--C 1.563 1.45 0 N-CA-C 111.968 0.358 . . . . 20.0 111.968 -175.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 84.8 -2.87 87.87 Favored Glycine 0 CA--C 1.557 2.703 0 C-N-CA 121.099 -0.572 . . . . 20.0 113.557 173.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -72.4 137.4 46.49 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 117.296 0.548 . . . . 20.0 111.026 -177.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 50.4 m -109.71 147.33 33.34 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 120.893 0.378 . . . . 20.0 111.328 -175.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -129.7 161.16 31.27 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 116.115 -0.493 . . . . 20.0 111.133 -174.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -82.81 -24.6 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 116.32 -0.4 . . . . 20.0 111.869 -170.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -153.47 173.35 15.8 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 121.136 0.493 . . . . 20.0 111.403 -176.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -66.42 -35.64 80.82 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.754 -0.657 . . . . 20.0 111.172 -174.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -62.18 -43.83 97.96 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 116.409 -0.36 . . . . 20.0 110.786 -177.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -67.93 -49.44 61.84 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.535 -0.302 . . . . 20.0 111.176 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -40.62 97.84 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.539 0.209 . . . . 20.0 110.75 -176.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 39.7 t -64.22 -47.77 78.4 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.595 -0.275 . . . . 20.0 110.789 177.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 24.4 t -59.83 -40.74 89.51 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.469 -0.332 . . . . 20.0 111.048 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -64.97 -48.11 75.21 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 116.468 -0.333 . . . . 20.0 111.278 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.52 -36.24 77.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-O 120.611 0.244 . . . . 20.0 110.619 -177.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -67.3 -47.28 71.07 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.56 -0.291 . . . . 20.0 110.981 176.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 39.1 m -72.52 -37.61 68.3 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 111.798 0.295 . . . . 20.0 111.798 -174.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 71.4 t -97.99 -47.17 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 N-CA-C 111.513 0.19 . . . . 20.0 111.513 -170.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -100.14 1.64 42.31 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 116.693 -0.23 . . . . 20.0 111.469 -173.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 90.3 p 54.72 31.73 15.97 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 123.023 0.529 . . . . 20.0 111.794 175.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -130.95 156.43 45.1 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.885 0.374 . . . . 20.0 110.782 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -109.43 111.19 59.77 Favored Pre-proline 0 CA--C 1.551 0.99 0 CA-C-N 116.235 -0.439 . . . . 20.0 110.736 -178.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.68 -11.22 27.7 Favored 'Trans proline' 0 CA--C 1.549 1.237 0 C-N-CA 122.659 2.239 . . . . 20.0 112.654 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 23.2 t -75.39 -14.63 60.47 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-O 120.776 0.322 . . . . 20.0 110.845 172.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -80.22 -141.18 2.59 Favored Glycine 0 CA--C 1.541 1.677 0 CA-C-N 116.328 -0.396 . . . . 20.0 112.318 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -115.87 29.55 7.91 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 120.7 0.286 . . . . 20.0 111.408 -177.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 13.8 p -99.34 -47.77 5.04 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 116.509 -0.314 . . . . 20.0 111.015 178.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 54.53 90.2 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.517 0.675 . . . . 20.0 111.21 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 1.4 mp -112.35 30.09 7.37 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 115.051 -0.977 . . . . 20.0 110.901 -178.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -145.88 161.23 40.49 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 120.918 0.389 . . . . 20.0 110.858 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -136.27 138.71 42.05 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.947 -0.57 . . . . 20.0 110.499 177.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 tt -94.51 128.19 40.93 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 116.356 -0.384 . . . . 20.0 110.719 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -107.1 151.68 40.81 Favored Pre-proline 0 N--CA 1.487 1.378 0 CA-C-N 116.537 -0.301 . . . . 20.0 110.874 178.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -66.18 152.15 81.87 Favored 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 122.701 2.268 . . . . 20.0 112.705 -176.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 50.6 t -95.46 129.8 42.5 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.119 -0.491 . . . . 20.0 110.673 178.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.52 -12.5 2.69 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 116.206 -0.452 . . . . 20.0 111.913 -174.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 47.0 p -69.63 -26.09 64.25 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 111.478 0.177 . . . . 20.0 111.478 -176.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.0 pp -142.9 164.42 30.13 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 120.885 0.374 . . . . 20.0 110.753 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -83.63 109.89 17.81 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 116.158 -0.474 . . . . 20.0 111.528 -170.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 19.4 pt -145.65 167.3 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 CA-C-N 115.721 -0.672 . . . . 20.0 109.869 170.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -72.52 140.34 48.11 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 110.082 -0.34 . . . . 20.0 110.082 175.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -125.36 115.76 20.83 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.089 0.471 . . . . 20.0 110.727 -177.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -69.89 161.87 29.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.65 -0.705 . . . . 20.0 111.254 -176.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -67.4 -10.1 48.04 Favored 'General case' 0 CA--C 1.561 1.388 0 CA-C-N 116.203 -0.453 . . . . 20.0 111.886 -177.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -86.18 -24.06 26.28 Favored 'General case' 0 CA--C 1.556 1.183 0 O-C-N 122.41 -0.181 . . . . 20.0 110.861 174.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.71 -34.63 39.97 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-O 120.877 0.37 . . . . 20.0 110.143 169.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 6.5 t -69.72 7.1 0.94 Allowed 'General case' 0 CA--C 1.565 1.52 0 CA-C-N 115.858 -0.61 . . . . 20.0 111.824 -178.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -59.48 149.15 30.47 Favored 'General case' 0 CA--C 1.556 1.182 0 CA-C-O 120.902 0.382 . . . . 20.0 110.882 176.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -66.38 117.23 8.33 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.325 -0.398 . . . . 20.0 110.984 -177.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 75.6 m . . . . . 0 N--CA 1.477 0.915 0 CA-C-N 116.131 -0.486 . . . . 20.0 110.731 -179.791 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.689 0 O4'-C4'-C3' 107.699 2.099 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.596 0 P-O3'-C3' 123.473 3.144 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.423 0 O5'-C5'-C4' 114.049 2.749 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.617 0 O5'-C5'-C4' 114.955 3.397 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.366 0 O5'-C5'-C4' 115.176 3.554 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.368 0 P-O3'-C3' 124.217 3.764 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.814 0 O5'-C5'-C4' 115.164 3.546 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.138 0 P-O3'-C3' 123.449 3.124 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.394 0 C3'-C2'-C1' 97.138 -3.973 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.166 0 C5'-C4'-C3' 110.474 -2.817 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.488 0 P-O3'-C3' 123.527 3.189 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.13 0 P-O3'-C3' 122.789 2.574 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.194 0 O4'-C4'-C3' 108.577 2.977 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.461 0 O4'-C4'-C3' 108.684 3.084 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.461 0 O4'-C4'-C3' 108.216 2.616 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.375 0 O4'-C4'-C3' 108.381 2.781 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.008 0 O5'-C5'-C4' 114.673 3.195 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.973 0 P-O3'-C3' 122.66 2.466 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.01 0 O5'-C5'-C4' 114.457 3.041 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.942 0 O4'-C4'-C3' 108.848 3.248 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.475 0 O4'-C4'-C3' 108.057 2.457 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.282 0 P-O3'-C3' 123.23 2.942 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.623 0 P-O3'-C3' 123.328 3.023 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.425 0 O5'-C5'-C4' 114.699 3.213 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.989 0 P-O3'-C3' 123.537 3.197 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.601 1 O5'-C5'-C4' 117.176 4.983 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.496 2 C3'-C2'-C1' 95.307 -5.281 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.538 0 O4'-C4'-C3' 108.816 3.216 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.14 0 O5'-C5'-C4' 114.257 2.898 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.607 0 O4'-C4'-C3' 108.928 3.328 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.454 0 C1'-O4'-C4' 104.702 -3.57 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.151 0 O5'-C5'-C4' 114.619 3.157 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.691 0 O4'-C4'-C3' 109.014 3.414 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.391 0 P-O3'-C3' 123.587 3.239 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.362 0 P-O3'-C3' 123.171 2.892 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.637 0 O4'-C4'-C3' 108.781 3.181 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.696 0 O4'-C4'-C3' 108.556 2.956 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.187 0 P-O3'-C3' 122.962 2.718 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . 0.875 'ZN ' ' HG ' ' A' ' 496' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.813 0 CA-C-O 120.873 0.368 . . . . 20.0 110.655 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -154.96 167.69 29.47 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 116.15 -0.477 . . . . 20.0 110.999 -175.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -131.58 157.11 44.49 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 116.026 -0.534 . . . . 20.0 110.488 177.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -79.13 98.64 6.63 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 120.93 0.395 . . . . 20.0 110.767 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 66.8 mtt -88.19 159.6 18.09 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 115.947 -0.57 . . . . 20.0 111.097 -176.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -156.53 52.43 0.52 Allowed 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 115.533 -0.758 . . . . 20.0 109.165 175.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 34.7 m -81.38 166.57 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 115.351 -0.84 . . . . 20.0 111.743 -169.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -84.23 130.47 34.82 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.806 -0.634 . . . . 20.0 109.805 169.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -86.04 79.54 9.14 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-O 121.011 0.434 . . . . 20.0 111.453 -169.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -96.88 47.55 1.05 Allowed 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 115.907 -0.588 . . . . 20.0 110.097 171.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 22.4 p30 -120.82 7.57 10.46 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 115.43 -0.805 . . . . 20.0 111.559 -169.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 483' ' ' HIS . . . . . 0.536 ' HB3' HD21 ' A' ' 509' ' ' LEU . 53.4 p-80 -161.21 176.04 11.69 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.078 0.466 . . . . 20.0 111.659 -179.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -136.65 158.49 44.31 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.368 -0.833 . . . . 20.0 109.564 169.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 54.2 mp0 -101.81 134.1 45.52 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.922 0.391 . . . . 20.0 110.91 -175.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 14.4 tp -134.31 117.83 16.84 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.889 -0.596 . . . . 20.0 110.331 -178.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 32.7 mt -88.12 122.74 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-O 120.87 0.367 . . . . 20.0 110.468 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 40.3 t -136.96 128.94 43.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 115.83 -0.623 . . . . 20.0 110.111 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.0 t0 53.12 35.95 21.08 Favored 'General case' 0 CA--C 1.565 1.528 0 CA-C-O 120.969 0.414 . . . . 20.0 111.171 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 79.76 2.11 87.87 Favored Glycine 0 CA--C 1.549 2.163 0 CA-C-N 116.391 -0.368 . . . . 20.0 112.929 177.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -110.3 136.71 49.07 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.485 0.314 . . . . 20.0 110.71 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 97.0 t -80.03 120.88 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-O 120.742 0.306 . . . . 20.0 110.219 174.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -103.74 150.33 24.16 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.281 173.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -114.95 118.69 34.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.172 -0.467 . . . . 20.0 109.991 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.4 mt -112.78 126.63 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-O 120.795 0.331 . . . . 20.0 110.962 -170.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.1 t -64.22 135.13 55.99 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.172 -0.467 . . . . 20.0 110.589 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 29.0 pt -69.86 -37.42 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-N 116.551 -0.295 . . . . 20.0 111.71 -175.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.83 -64.75 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 CA-C-O 120.708 0.289 . . . . 20.0 111.751 -176.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 27.7 p -105.16 -3.1 23.4 Favored 'General case' 0 CA--C 1.559 1.303 0 CA-C-N 116.012 -0.54 . . . . 20.0 112.339 -169.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt 57.84 41.16 25.25 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 122.602 0.361 . . . . 20.0 111.689 -175.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -81.48 131.09 35.27 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 116.215 -0.448 . . . . 20.0 110.194 169.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 28.4 p -93.22 145.23 24.58 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 120.951 0.405 . . . . 20.0 111.238 -177.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -137.86 143.03 40.73 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.793 -0.639 . . . . 20.0 110.956 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 85.5 t -84.71 -15.07 11.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 CA-C-N 115.892 -0.595 . . . . 20.0 110.939 177.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 96.5 m -136.35 134.25 37.67 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.798 0.332 . . . . 20.0 110.915 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 15.2 mt -60.5 -41.27 93.95 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.238 -0.437 . . . . 20.0 111.257 -178.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 15.7 p -58.81 -33.83 70.81 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 120.602 0.239 . . . . 20.0 110.986 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 3.8 t -71.11 -40.63 71.37 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.438 -0.346 . . . . 20.0 110.796 176.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 483' ' ' HIS . 1.4 tp -63.44 -44.97 92.98 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.259 -0.428 . . . . 20.0 110.929 175.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 47.7 mmm-85 -61.82 -43.93 97.86 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 120.666 0.27 . . . . 20.0 110.54 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -52.38 -43.96 65.02 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.082 -0.508 . . . . 20.0 110.653 172.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -73.2 -42.25 62.89 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 116.194 -0.457 . . . . 20.0 111.428 -177.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -63.11 -26.95 69.06 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 120.506 0.193 . . . . 20.0 111.321 -174.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -16.38 58.58 Favored 'General case' 0 CA--C 1.567 1.633 0 CA-C-N 116.753 -0.203 . . . . 20.0 111.174 176.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 33.7 mt -80.19 -21.03 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 122.426 0.291 . . . . 20.0 110.962 176.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -93.0 -42.21 9.57 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.653 0.263 . . . . 20.0 110.889 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 92.8 p -80.18 -32.97 38.65 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.24 -0.436 . . . . 20.0 111.36 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 69.8 m95 50.74 34.6 10.3 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 121.211 0.529 . . . . 20.0 110.404 -169.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -60.52 -36.43 78.37 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.7 -0.682 . . . . 20.0 111.089 178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -137.21 123.82 21.01 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.176 -0.465 . . . . 20.0 110.387 -177.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -95.66 146.39 24.53 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 116.145 -0.48 . . . . 20.0 110.735 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -120.8 79.87 32.24 Favored Pre-proline 0 CA--C 1.547 0.837 0 CA-C-N 116.074 -0.512 . . . . 20.0 110.293 174.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.79 141.49 21.71 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.766 2.311 . . . . 20.0 112.552 -176.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 49.2 t -72.69 142.29 48.23 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.762 -0.654 . . . . 20.0 110.46 173.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -80.56 -31.97 36.73 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-O 120.561 0.22 . . . . 20.0 111.006 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -84.36 -21.19 30.98 Favored 'General case' 0 CA--C 1.558 1.252 0 CA-C-N 116.371 -0.377 . . . . 20.0 111.837 -172.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.1 p -145.1 170.0 17.05 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.757 0.313 . . . . 20.0 110.772 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.32 7.84 8.73 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 112.026 0.38 . . . . 20.0 112.026 -173.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -71.61 144.28 49.52 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-O 120.715 0.293 . . . . 20.0 111.116 -177.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 17.7 t -125.33 137.96 55.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-N 116.185 -0.462 . . . . 20.0 110.725 176.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -112.51 149.21 40.74 Favored Pre-proline 0 CA--C 1.543 0.685 0 CA-C-N 116.044 -0.525 . . . . 20.0 110.771 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -84.74 -4.62 9.9 Favored 'Trans proline' 0 CA--C 1.557 1.635 0 C-N-CA 122.981 2.454 . . . . 20.0 112.595 174.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 8.2 mp -127.54 145.01 51.0 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.719 0.408 . . . . 20.0 110.131 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -73.14 -35.56 66.52 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-O 120.478 0.18 . . . . 20.0 111.222 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -60.35 -39.22 86.34 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.844 0.354 . . . . 20.0 110.556 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -69.55 -31.56 69.84 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.278 -0.419 . . . . 20.0 110.728 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 538' ' ' THR . 0.3 OUTLIER -60.04 -61.3 2.71 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.877 0.37 . . . . 20.0 110.176 170.466 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . 0.475 ' N ' ' HG2' ' A' ' 537' ' ' ARG . 39.9 m -57.74 -51.03 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.889 -0.596 . . . . 20.0 111.079 -172.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -64.45 -35.56 81.31 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 116.657 -0.247 . . . . 20.0 111.03 -174.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -69.72 -41.82 74.83 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-O 120.653 0.264 . . . . 20.0 110.892 176.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -67.3 -32.55 73.61 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 122.419 -0.176 . . . . 20.0 110.91 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 24.9 mt -64.0 -29.39 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-O 120.837 0.351 . . . . 20.0 110.701 171.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 543' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -26.72 61.79 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 116.341 -0.39 . . . . 20.0 110.902 176.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -79.3 -42.41 25.83 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-O 120.536 0.208 . . . . 20.0 111.072 175.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 80.8 p -75.65 -20.61 58.36 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 120.521 0.2 . . . . 20.0 111.206 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 77.44 12.19 84.77 Favored Glycine 0 CA--C 1.542 1.734 0 C-N-CA 121.536 -0.364 . . . . 20.0 112.443 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -60.93 119.81 8.97 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 120.949 0.404 . . . . 20.0 111.261 -174.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -74.65 146.73 42.15 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.197 -0.456 . . . . 20.0 110.442 173.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 -125.84 -53.98 1.53 Allowed 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 116.19 -0.459 . . . . 20.0 111.112 -177.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -100.33 117.27 34.18 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.662 -173.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -105.26 132.11 51.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.381 -0.372 . . . . 20.0 110.662 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 552' ' ' CYS . . . . . 0.816 ' HG ' 'ZN ' ' A' ' 703' ' ' ' ZN' . 42.5 t -69.41 144.84 53.25 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.25 -0.432 . . . . 20.0 110.01 172.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 92.3 mt -102.14 -15.99 16.52 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 120.536 0.208 . . . . 20.0 111.334 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.08 -48.88 21.67 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.622 -0.263 . . . . 20.0 111.123 177.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 31.9 p -120.11 -4.03 10.06 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 111.957 0.354 . . . . 20.0 111.957 -175.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 83.42 -0.59 89.58 Favored Glycine 0 CA--C 1.557 2.702 0 C-N-CA 121.085 -0.579 . . . . 20.0 113.598 172.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -70.72 137.18 49.5 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 117.304 0.552 . . . . 20.0 111.089 -176.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 51.1 m -105.16 147.78 27.59 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 116.337 -0.392 . . . . 20.0 111.156 -177.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -132.62 157.49 44.65 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.033 -0.531 . . . . 20.0 110.886 -177.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . . . . . . . . . 1.8 tt -78.57 -25.05 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 CA-C-N 116.289 -0.414 . . . . 20.0 111.593 -174.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 34.1 p30 -151.64 170.97 18.39 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-O 120.967 0.413 . . . . 20.0 111.041 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -67.82 -36.08 79.75 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.118 -0.492 . . . . 20.0 111.108 -175.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -59.48 -46.92 87.42 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.611 -0.268 . . . . 20.0 111.076 -175.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -64.03 -46.33 84.91 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.645 -0.252 . . . . 20.0 110.869 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -60.02 -46.6 88.96 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.584 -0.28 . . . . 20.0 110.818 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 25.0 t -58.65 -49.14 78.61 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.496 -0.32 . . . . 20.0 110.851 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 22.2 t -59.55 -42.51 92.54 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.403 -0.362 . . . . 20.0 111.018 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -62.84 -50.29 71.52 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.517 -0.31 . . . . 20.0 111.226 -178.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 19.9 mt -66.84 -35.29 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-O 120.486 0.184 . . . . 20.0 110.655 -176.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -67.5 -44.42 78.52 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.729 -0.214 . . . . 20.0 111.004 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 23.6 t -74.77 -39.33 61.85 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.649 -0.251 . . . . 20.0 111.575 -175.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 72.3 t -93.03 -48.26 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 N-CA-C 111.517 0.192 . . . . 20.0 111.517 -170.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -100.02 -2.65 33.92 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 116.651 -0.249 . . . . 20.0 111.489 -172.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 1.7 t 56.85 35.77 26.77 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 120.892 0.377 . . . . 20.0 111.246 177.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -133.17 155.07 49.99 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.245 -0.434 . . . . 20.0 110.744 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -103.83 112.15 65.44 Favored Pre-proline 0 CA--C 1.553 1.069 0 CA-C-N 116.21 -0.45 . . . . 20.0 110.444 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.38 -16.44 39.15 Favored 'Trans proline' 0 CA--C 1.548 1.207 0 C-N-CA 122.338 2.025 . . . . 20.0 112.496 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 47.6 t -73.77 -9.69 58.92 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 116.589 -0.278 . . . . 20.0 111.239 176.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -82.15 -136.01 2.23 Favored Glycine 0 CA--C 1.539 1.537 0 N-CA-C 112.203 -0.359 . . . . 20.0 112.203 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -120.11 29.68 7.38 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 120.762 0.315 . . . . 20.0 111.198 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 35.1 p -88.05 -41.28 13.18 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.565 -0.289 . . . . 20.0 110.894 178.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 52.1 mttp 60.46 66.79 0.9 Allowed 'General case' 0 N--CA 1.492 1.668 0 CA-C-O 121.308 0.575 . . . . 20.0 110.77 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 7.4 mt -100.07 17.29 21.47 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 115.753 -0.658 . . . . 20.0 111.538 -174.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -148.01 166.75 26.8 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 120.937 0.398 . . . . 20.0 111.138 -178.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -142.1 137.74 31.2 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.96 -0.564 . . . . 20.0 110.604 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.89 123.75 38.54 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 116.406 -0.361 . . . . 20.0 110.565 -178.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -100.88 153.99 37.41 Favored Pre-proline 0 N--CA 1.481 1.122 0 CA-C-N 116.551 -0.295 . . . . 20.0 110.897 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -60.94 144.11 99.5 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 122.589 2.193 . . . . 20.0 112.584 -177.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -91.09 124.54 35.39 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.151 -0.477 . . . . 20.0 110.157 173.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -129.5 -8.97 4.62 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 111.862 0.319 . . . . 20.0 111.862 -173.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 90.9 p -66.4 -23.62 66.34 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 120.531 0.205 . . . . 20.0 111.25 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -141.64 167.08 23.0 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.441 -0.345 . . . . 20.0 110.405 173.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -93.43 89.85 6.49 Favored 'General case' 0 CA--C 1.558 1.253 0 CA-C-O 120.955 0.407 . . . . 20.0 111.974 -169.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 33.8 pt -105.17 171.89 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 CA-C-N 115.962 -0.563 . . . . 20.0 110.442 169.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -74.03 139.08 44.48 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.933 -0.395 . . . . 20.0 109.933 169.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -109.19 97.77 7.32 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.952 0.406 . . . . 20.0 110.888 -170.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -59.36 143.43 49.56 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.619 178.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -68.3 -9.96 51.33 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 116.341 -0.39 . . . . 20.0 111.629 -175.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -74.53 -17.2 60.78 Favored 'General case' 0 CA--C 1.56 1.356 0 O-C-N 122.396 -0.19 . . . . 20.0 111.073 174.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.13 -32.86 16.48 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 120.858 0.361 . . . . 20.0 110.224 169.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 62.4 m -76.37 -13.1 60.15 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 116.014 -0.539 . . . . 20.0 111.819 -173.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -152.96 164.41 38.01 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 120.742 0.306 . . . . 20.0 110.822 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -139.05 137.31 36.15 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.724 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 27.2 t . . . . . 0 N--CA 1.485 1.298 0 CA-C-N 116.203 -0.453 . . . . 20.0 111.263 -179.776 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.221 0 O4'-C4'-C3' 108.408 2.808 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.529 0 O4'-C4'-C3' 108.532 2.932 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.5 0 O5'-C5'-C4' 113.969 2.692 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.544 0 O5'-C5'-C4' 115.029 3.45 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 0 P-O3'-C3' 123.477 3.147 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.302 0 O5'-C5'-C4' 114.997 3.427 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.746 0 O5'-C5'-C4' 114.857 3.326 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.033 0 P-O3'-C3' 122.684 2.486 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.94 2 C1'-O4'-C4' 103.233 -4.619 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 0 C5'-C4'-C3' 109.512 -3.459 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.77 0 P-O3'-C3' 123.33 3.025 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.079 0 P-O3'-C3' 123.145 2.871 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.943 0 O4'-C4'-C3' 108.838 3.238 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.015 0 O4'-C4'-C3' 108.663 3.063 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.078 0 O4'-C4'-C3' 108.47 2.87 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.976 0 P-O3'-C3' 124.091 3.659 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.581 0 O5'-C5'-C4' 115.776 3.983 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.187 0 O4'-C4'-C3' 108.393 2.793 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.366 0 P-O3'-C3' 122.912 2.676 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.702 0 C1'-O4'-C4' 106.152 -2.534 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.706 0 O5'-C5'-C4' 114.338 2.956 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.361 0 O4'-C4'-C3' 108.716 3.116 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.511 0 O4'-C4'-C3' 108.614 3.014 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.638 0 C5'-C4'-O4' 114.15 2.969 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.767 0 O5'-C5'-C4' 115.37 3.693 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.287 0 O4'-C4'-C3' 107.831 2.231 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 27' ' ' ' DG' . . . . . 0.489 " H1'" ' C8 ' ' E' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.868 1 C1'-O4'-C4' 103.814 -4.204 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 28' ' ' ' DG' . . . . . 0.489 ' C8 ' " H1'" ' E' ' 27' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.313 2 P-O5'-C5' 128.942 5.026 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.874 0 O4'-C4'-C3' 107.748 2.148 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.628 0 O5'-C5'-C4' 113.751 2.536 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.916 0 O5'-C5'-C4' 115.351 3.679 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.49 1 P-O3'-C3' 125.953 5.211 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.126 0 P-O3'-C3' 124.361 3.884 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.457 0 P-O3'-C3' 123.246 2.955 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.54 0 P-O3'-C3' 123.167 2.889 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.589 0 O4'-C4'-C3' 108.634 3.034 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.521 0 O4'-C4'-C3' 108.531 2.931 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.283 0 P-O3'-C3' 122.879 2.649 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 703' ' ' ' ZN' . . . . . 0.816 'ZN ' ' HG ' ' A' ' 552' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.789 0 CA-C-O 120.912 0.387 . . . . 20.0 110.804 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -73.63 144.6 45.84 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 116.273 -0.421 . . . . 20.0 110.785 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -82.03 79.95 8.41 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 120.922 0.392 . . . . 20.0 110.485 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -134.43 124.83 26.3 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 115.952 -0.567 . . . . 20.0 110.655 -177.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 42.7 mtm -156.33 79.97 0.97 Allowed 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 116.149 -0.478 . . . . 20.0 110.387 174.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -88.71 56.79 3.89 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.088 0.47 . . . . 20.0 110.146 175.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 35.6 m -141.69 153.95 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 CA-C-N 115.812 -0.631 . . . . 20.0 111.314 -172.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -86.79 164.54 16.62 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 115.941 -0.572 . . . . 20.0 110.234 171.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -133.23 145.29 50.4 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 116.396 -0.365 . . . . 20.0 111.176 -176.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -99.6 22.78 10.37 Favored 'General case' 0 CA--C 1.557 1.224 0 CA-C-N 116.088 -0.505 . . . . 20.0 110.745 174.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 50.7 p-10 -79.4 8.86 5.44 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.045 -0.525 . . . . 20.0 111.275 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 483' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -159.42 175.99 12.65 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.06 0.457 . . . . 20.0 111.45 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -134.76 155.19 51.02 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.366 -0.834 . . . . 20.0 109.491 169.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -98.5 134.08 41.97 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.879 0.371 . . . . 20.0 110.836 -175.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 14.3 tp -133.33 115.76 15.29 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.988 -0.551 . . . . 20.0 110.34 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 34.6 mt -87.48 122.29 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-O 120.95 0.405 . . . . 20.0 110.434 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 44.0 t -136.49 128.26 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-N 115.829 -0.623 . . . . 20.0 110.204 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 26.1 t0 53.04 36.38 21.99 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 120.901 0.382 . . . . 20.0 111.213 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 80.19 0.34 85.9 Favored Glycine 0 CA--C 1.55 2.272 0 C-N-CA 121.547 -0.359 . . . . 20.0 112.95 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -107.79 136.33 47.7 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.491 0.316 . . . . 20.0 110.646 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 95.3 t -80.0 122.54 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-O 120.701 0.286 . . . . 20.0 110.231 173.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -106.38 152.12 24.0 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.239 -0.437 . . . . 20.0 110.193 172.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -117.08 119.17 34.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 20.0 110.018 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 3.1 mt -112.13 124.68 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 116.477 -0.328 . . . . 20.0 110.808 -171.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.6 t -63.56 137.2 58.03 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.283 -0.417 . . . . 20.0 110.564 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 29.4 pt -69.51 -38.86 77.71 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 CA-C-N 116.644 -0.253 . . . . 20.0 111.642 -176.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.01 -65.48 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 111.857 0.318 . . . . 20.0 111.857 -177.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 26.7 p -105.09 -4.59 21.73 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 116.05 -0.523 . . . . 20.0 112.374 -169.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt 59.28 38.07 23.36 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.56 0.344 . . . . 20.0 111.902 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -79.71 129.09 34.17 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 109.889 -0.412 . . . . 20.0 109.889 169.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 21.7 p -91.28 140.45 29.78 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 116.36 -0.382 . . . . 20.0 111.122 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -132.93 141.53 48.4 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.998 -0.546 . . . . 20.0 110.9 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 72.0 t -79.34 -19.28 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 116.166 -0.47 . . . . 20.0 110.898 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 85.1 m -132.67 136.42 46.44 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.729 0.299 . . . . 20.0 111.155 -177.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.13 -34.92 74.19 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.348 -0.387 . . . . 20.0 110.835 176.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 36.0 p -55.22 -38.66 68.73 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 116.755 -0.202 . . . . 20.0 111.011 178.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 14.7 m -67.83 -41.2 83.36 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.496 -0.32 . . . . 20.0 110.898 177.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.63 -49.19 77.57 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.441 -0.345 . . . . 20.0 110.986 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -46.69 88.77 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.594 0.235 . . . . 20.0 110.584 -178.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -54.36 -46.22 72.92 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 116.187 -0.461 . . . . 20.0 110.777 173.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -70.72 -42.19 70.9 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 116.233 -0.44 . . . . 20.0 111.415 -173.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -59.7 -23.66 63.32 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 116.732 -0.213 . . . . 20.0 111.492 -172.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -58.79 -31.36 68.34 Favored 'General case' 0 CA--C 1.56 1.348 0 CA-C-O 120.583 0.23 . . . . 20.0 111.013 175.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 26.4 mt -65.22 -18.92 24.7 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.376 0 CA-C-O 120.597 0.236 . . . . 20.0 111.055 178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -101.11 -45.84 5.26 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 120.611 0.243 . . . . 20.0 111.163 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 92.5 p -78.98 -35.03 43.64 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.487 -0.324 . . . . 20.0 111.538 -173.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 69.4 m95 52.11 36.52 19.2 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-O 121.109 0.48 . . . . 20.0 110.997 -173.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -66.15 -34.66 78.54 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.899 -0.591 . . . . 20.0 111.413 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -131.58 135.01 46.64 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.326 -0.397 . . . . 20.0 110.398 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -95.09 143.04 26.86 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 116.333 -0.394 . . . . 20.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -124.67 79.89 62.41 Favored Pre-proline 0 CA--C 1.554 1.105 0 CA-C-N 116.073 -0.512 . . . . 20.0 110.32 173.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 523' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 530' ' ' VAL . 80.3 Cg_endo -78.27 159.62 29.62 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.884 2.389 . . . . 20.0 112.769 -176.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 49.9 t -88.51 143.75 26.77 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.835 -0.62 . . . . 20.0 110.598 174.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -73.28 -40.07 64.86 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-O 120.677 0.275 . . . . 20.0 111.337 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -88.36 -13.64 40.14 Favored 'General case' 0 CA--C 1.557 1.246 0 N-CA-C 112.336 0.495 . . . . 20.0 112.336 -169.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.2 p -145.02 173.66 11.7 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 120.902 0.382 . . . . 20.0 111.031 176.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -87.89 7.16 32.11 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 112.16 0.43 . . . . 20.0 112.16 -170.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -69.34 146.62 52.02 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 120.853 0.359 . . . . 20.0 111.254 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . 0.42 ' HA ' ' HA ' ' A' ' 523' ' ' PRO . 12.2 t -122.98 128.46 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 115.755 -0.657 . . . . 20.0 110.169 169.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -105.73 150.54 39.25 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-N 116.121 -0.49 . . . . 20.0 110.517 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -80.98 -2.04 11.56 Favored 'Trans proline' 0 CA--C 1.556 1.593 0 C-N-CA 122.8 2.333 . . . . 20.0 112.636 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 6.4 mp -135.24 142.46 45.98 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.442 -0.345 . . . . 20.0 110.227 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -69.63 -44.2 71.13 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.666 0.269 . . . . 20.0 110.931 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -58.59 -33.24 69.76 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 116.583 -0.28 . . . . 20.0 111.064 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -66.83 -45.11 79.26 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.585 -0.28 . . . . 20.0 111.248 -178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.62 -26.29 61.62 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 120.988 -0.285 . . . . 20.0 110.799 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 4.2 m -65.37 -58.35 6.11 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.595 0.236 . . . . 20.0 110.557 175.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -63.3 -29.64 70.92 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 116.715 -0.221 . . . . 20.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -69.33 -42.61 75.12 Favored 'General case' 0 CA--C 1.555 1.162 0 CA-C-O 120.62 0.248 . . . . 20.0 110.919 174.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -67.63 -31.51 71.57 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.869 -0.15 . . . . 20.0 111.037 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 28.1 mt -61.72 -29.49 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 CA-C-O 120.725 0.298 . . . . 20.0 110.405 171.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 543' ' ' HIS . . . . . 0.505 ' HA ' HD11 ' A' ' 560' ' ' ILE . 3.3 t-80 -75.43 -25.11 57.24 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-N 116.336 -0.393 . . . . 20.0 111.144 175.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -79.48 -42.14 25.92 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 116.779 -0.191 . . . . 20.0 110.962 175.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 82.6 p -73.35 -32.72 64.69 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 120.668 0.271 . . . . 20.0 110.989 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 86.8 11.34 70.87 Favored Glycine 0 CA--C 1.54 1.612 0 CA-C-N 116.424 -0.353 . . . . 20.0 112.386 -178.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -58.08 107.25 0.45 Allowed 'General case' 0 CA--C 1.55 0.944 0 CA-C-O 120.816 0.341 . . . . 20.0 111.25 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -81.98 128.39 34.03 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 116.369 -0.378 . . . . 20.0 110.094 173.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -130.22 -32.97 1.75 Allowed 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 116.137 -0.483 . . . . 20.0 111.899 -169.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -91.72 98.55 11.69 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.765 0.317 . . . . 20.0 110.393 -177.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -97.18 128.32 43.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.385 -0.371 . . . . 20.0 110.867 -176.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 48.0 t -68.05 144.86 54.92 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.161 -0.472 . . . . 20.0 110.073 171.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 86.0 mt -101.37 -16.43 16.89 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 116.7 -0.227 . . . . 20.0 111.252 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.09 -47.91 26.43 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 116.681 -0.236 . . . . 20.0 111.132 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.8 p -119.99 -3.15 10.17 Favored 'General case' 0 CA--C 1.563 1.453 0 N-CA-C 112.07 0.396 . . . . 20.0 112.07 -175.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 80.19 0.09 85.24 Favored Glycine 0 CA--C 1.557 2.676 0 C-N-CA 121.088 -0.577 . . . . 20.0 113.568 173.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -72.62 140.08 47.77 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 117.347 0.574 . . . . 20.0 110.967 -177.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 15.3 m -103.77 147.13 27.63 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 116.39 -0.368 . . . . 20.0 111.215 -176.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -132.12 159.73 38.05 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.928 -0.578 . . . . 20.0 110.737 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.505 HD11 ' HA ' ' A' ' 543' ' ' HIS . 15.5 tt -84.44 -24.14 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 CA-C-N 116.242 -0.435 . . . . 20.0 111.883 -170.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 32.9 p30 -151.33 172.63 15.59 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-O 120.944 0.402 . . . . 20.0 110.902 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -64.35 -41.66 96.63 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.069 -0.514 . . . . 20.0 111.139 -176.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 29.7 mp0 -59.14 -45.42 91.0 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 116.602 -0.272 . . . . 20.0 111.138 -173.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -65.13 -44.26 89.25 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.663 -0.244 . . . . 20.0 110.835 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -59.69 -46.9 87.67 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 120.682 0.277 . . . . 20.0 110.87 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 29.2 t -60.6 -47.16 87.46 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.47 -0.332 . . . . 20.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 24.6 t -58.44 -42.34 87.12 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.462 -0.335 . . . . 20.0 110.904 177.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -63.53 -50.78 68.19 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.363 -0.38 . . . . 20.0 111.128 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 20.6 mt -65.75 -35.9 76.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-O 120.587 0.232 . . . . 20.0 110.75 -176.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -68.24 -45.39 73.36 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 116.656 -0.247 . . . . 20.0 111.176 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 35.4 p -78.18 -33.62 50.05 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 111.791 0.293 . . . . 20.0 111.791 -174.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 69.9 t -95.13 -49.15 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 CA-C-O 120.497 0.189 . . . . 20.0 111.44 -173.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -100.03 -1.72 36.27 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 116.709 -0.223 . . . . 20.0 111.558 -173.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 8.6 t 56.49 35.62 26.28 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 120.845 0.355 . . . . 20.0 111.475 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -134.79 156.91 48.05 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.319 -0.401 . . . . 20.0 110.925 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -98.94 131.74 24.95 Favored Pre-proline 0 CA--C 1.551 0.981 0 CA-C-N 116.169 -0.469 . . . . 20.0 110.447 175.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -73.81 -25.43 14.49 Favored 'Trans proline' 0 CA--C 1.55 1.298 0 C-N-CA 122.567 2.178 . . . . 20.0 112.717 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 31.7 t -86.5 -10.51 53.96 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 120.738 0.304 . . . . 20.0 111.433 -178.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -82.49 -157.82 22.59 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 121.371 -0.442 . . . . 20.0 112.268 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -83.39 89.99 7.11 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 120.823 0.344 . . . . 20.0 110.153 172.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . . . . . . . . . 93.1 p -160.05 -59.96 0.06 Allowed 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 116.172 -0.467 . . . . 20.0 111.05 -174.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 58.06 66.58 1.08 Allowed 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.214 0.53 . . . . 20.0 110.627 -175.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 5.9 mt -102.76 17.6 23.46 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 115.686 -0.688 . . . . 20.0 111.641 -172.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -145.99 158.72 43.86 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 121.049 0.452 . . . . 20.0 111.469 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -138.32 138.39 38.3 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 115.671 -0.695 . . . . 20.0 110.326 177.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.5 tt -100.37 124.35 45.76 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 116.496 -0.32 . . . . 20.0 110.655 -177.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -98.24 151.18 37.39 Favored Pre-proline 0 CA--C 1.555 1.14 0 CA-C-N 116.358 -0.383 . . . . 20.0 110.698 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -63.92 157.73 51.05 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 122.464 2.109 . . . . 20.0 112.594 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 42.0 t -101.44 136.31 41.49 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.502 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.11 -11.52 1.47 Allowed 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 116.4 -0.364 . . . . 20.0 111.599 -177.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 18.8 p -68.44 -25.56 65.07 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 111.676 0.25 . . . . 20.0 111.676 -177.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 1.4 pp -137.71 168.87 18.81 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-O 120.803 0.335 . . . . 20.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -89.18 105.47 17.81 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 116.169 -0.468 . . . . 20.0 111.463 -170.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 26.0 pt -146.05 170.68 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 CA-C-N 115.763 -0.653 . . . . 20.0 109.954 170.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -70.87 174.67 5.82 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.681 -0.488 . . . . 20.0 109.681 169.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -150.04 151.81 33.84 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 120.841 0.353 . . . . 20.0 110.645 176.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -96.5 145.83 25.34 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.962 -0.563 . . . . 20.0 110.645 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.59 -9.94 40.47 Favored 'General case' 0 CA--C 1.556 1.184 0 CA-C-N 116.492 -0.322 . . . . 20.0 111.729 -177.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -77.74 -12.54 59.98 Favored 'General case' 0 CA--C 1.56 1.333 0 O-C-N 122.441 -0.162 . . . . 20.0 111.274 175.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -90.08 -31.16 17.26 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 120.704 0.288 . . . . 20.0 110.589 169.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 1.4 t -88.47 -10.51 48.84 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 116.111 -0.495 . . . . 20.0 111.881 -171.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -153.33 168.38 26.22 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-O 120.834 0.349 . . . . 20.0 111.075 -176.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -58.14 151.89 18.07 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 116.166 -0.47 . . . . 20.0 111.141 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 32.5 t . . . . . 0 N--CA 1.484 1.271 0 CA-C-N 116.039 -0.528 . . . . 20.0 111.165 178.454 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.107 0 O5'-C5'-C4' 114.42 3.014 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.191 1 O5'-C5'-C4' 116.086 4.204 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.62 0 O5'-C5'-C4' 114.312 2.937 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.702 0 O5'-C5'-C4' 115.044 3.46 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.559 0 O5'-C5'-C4' 115.007 3.433 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.085 0 P-O3'-C3' 124.163 3.719 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.228 0 O5'-C5'-C4' 115.19 3.564 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.053 0 P-O3'-C3' 122.941 2.7 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.615 2 C3'-C2'-C1' 96.561 -4.385 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.031 0 C5'-C4'-C3' 109.752 -3.299 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.311 0 P-O3'-C3' 123.267 2.973 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.246 0 C3'-C2'-C1' 106.683 2.845 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.403 0 P-O3'-C3' 123.72 3.35 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.564 0 O5'-C5'-C4' 115.643 3.888 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.643 0 O5'-C5'-C4' 114.271 2.908 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.234 0 O4'-C4'-C3' 108.36 2.76 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.212 0 O4'-C4'-C3' 108.884 3.284 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.134 0 O4'-C4'-C3' 108.617 3.017 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.479 0 C1'-O4'-C4' 106.162 -2.527 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.479 0 C1'-O4'-C4' 106.037 -2.616 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.878 0 O5'-C5'-C4' 113.997 2.712 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.366 0 P-O3'-C3' 123.008 2.757 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.657 0 P-O3'-C3' 123.385 3.071 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.053 0 O4'-C4'-C3' 108.338 2.738 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.651 1 P-O3'-C3' 124.999 4.416 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 0 P-O3'-C3' 123.187 2.906 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 27' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.014 2 C3'-C2'-C1' 95.305 -5.282 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 28' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.407 -1.874 0 C4'-C3'-O3' 103.859 -2.928 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.573 -2.814 0 C1'-O4'-C4' 105.523 -2.984 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.078 0 O4'-C4'-C3' 108.091 2.491 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.363 0 C1'-O4'-C4' 104.7 -3.572 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.441 1 P-O3'-C3' 125.127 4.523 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.907 0 P-O3'-C3' 124.169 3.724 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.483 0 P-O3'-C3' 123.265 2.971 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.565 0 O4'-C4'-C3' 108.574 2.974 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.451 0 O4'-C4'-C3' 108.596 2.996 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.548 0 O4'-C4'-C3' 108.531 2.931 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.183 0 P-O3'-C3' 122.881 2.651 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.883 0 CA-C-O 120.939 0.399 . . . . 20.0 110.991 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 473' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -72.96 151.1 41.98 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 116.215 -0.448 . . . . 20.0 110.763 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 474' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -70.02 148.82 48.37 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.157 -0.474 . . . . 20.0 110.791 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 475' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.66 131.47 41.38 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.804 -178.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 476' ' ' MET . . . . . . . . . . . . . 28.9 ttm -161.5 157.99 25.82 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 116.122 -0.49 . . . . 20.0 110.568 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 477' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -135.66 57.1 1.8 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.094 0.473 . . . . 20.0 110.773 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 478' ' ' VAL . . . . . . . . . . . . . 21.7 m -106.78 162.44 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-N 115.923 -0.581 . . . . 20.0 110.73 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 479' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -86.94 162.54 17.63 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 116.44 -0.345 . . . . 20.0 110.726 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 480' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -123.43 149.57 44.88 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 116.112 -0.495 . . . . 20.0 111.106 -172.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 481' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -83.16 60.11 5.34 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 116.166 -0.47 . . . . 20.0 111.137 -174.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 482' ' ' ASP . . . . . . . . . . . . . 13.8 p30 -117.03 12.46 14.58 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 115.971 -0.558 . . . . 20.0 111.595 -175.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 483' ' ' HIS . . . . . 0.556 ' HB3' HD21 ' A' ' 509' ' ' LEU . 56.4 p-80 -161.83 176.56 10.74 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.91 0.386 . . . . 20.0 111.412 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -139.28 160.92 38.69 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.781 -0.645 . . . . 20.0 110.3 171.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 485' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -100.19 136.38 40.18 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 120.876 0.369 . . . . 20.0 110.826 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.2 tp -134.73 117.39 15.95 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.067 -0.515 . . . . 20.0 110.29 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 29.4 mt -88.05 123.04 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 120.905 0.384 . . . . 20.0 110.57 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 488' ' ' VAL . . . . . . . . . . . . . 39.3 t -138.38 129.58 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 115.857 -0.611 . . . . 20.0 110.165 -178.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 25.9 t0 52.75 36.38 21.03 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-O 120.945 0.402 . . . . 20.0 111.217 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 490' ' ' GLY . . . . . . . . . . . . . . . 78.81 5.01 88.6 Favored Glycine 0 CA--C 1.55 2.258 0 C-N-CA 121.505 -0.378 . . . . 20.0 112.958 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 491' ' ' ARG . . . . . . . . . . . . . 23.8 mtt180 -113.51 136.85 52.35 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.516 0.326 . . . . 20.0 110.709 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 98.6 t -80.75 119.61 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 110.256 -0.276 . . . . 20.0 110.256 174.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 493' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -101.04 149.82 23.54 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.249 -0.432 . . . . 20.0 110.3 173.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -113.99 117.09 30.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 20.0 110.004 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 495' ' ' ILE . . . . . . . . . . . . . 4.1 mt -114.0 129.46 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-O 120.946 0.403 . . . . 20.0 111.026 -169.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 496' ' ' CYS . . . . . . . . . . . . . 6.9 t -66.72 137.97 57.06 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.092 -0.504 . . . . 20.0 110.65 176.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 497' ' ' ILE . . . . . . . . . . . . . 37.8 pt -70.0 -39.62 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 111.733 0.271 . . . . 20.0 111.733 -176.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.98 -63.84 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 N-CA-C 111.916 0.339 . . . . 20.0 111.916 -176.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 27.1 p -105.09 -5.0 21.22 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.495 0.554 . . . . 20.0 112.495 -169.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 58.2 38.09 26.24 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 122.531 0.332 . . . . 20.0 111.759 -177.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -78.7 132.76 37.12 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 109.975 -0.38 . . . . 20.0 109.975 169.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' SER . . . . . . . . . . . . . 32.0 p -96.07 134.3 39.28 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 120.805 0.336 . . . . 20.0 111.194 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -126.22 142.1 51.66 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.777 -0.647 . . . . 20.0 110.977 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 75.5 t -84.7 -16.18 10.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.798 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 96.6 m -132.19 132.25 42.97 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.522 -0.308 . . . . 20.0 110.855 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 20.7 mt -60.5 -37.51 81.33 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 116.398 -0.365 . . . . 20.0 111.114 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 507' ' ' THR . . . . . . . . . . . . . 23.6 p -53.91 -44.07 70.24 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 120.642 0.258 . . . . 20.0 111.081 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 29.4 m -69.74 -33.43 72.45 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.608 -0.269 . . . . 20.0 111.081 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.556 HD21 ' HB3' ' A' ' 483' ' ' HIS . 4.0 tp -64.38 -46.75 81.97 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 116.703 -0.226 . . . . 20.0 111.019 176.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 510' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -58.14 -48.64 79.63 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 120.884 0.374 . . . . 20.0 110.146 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 511' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -55.91 -43.1 77.0 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 115.751 -0.659 . . . . 20.0 111.061 176.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -67.27 -45.29 77.06 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 116.439 -0.346 . . . . 20.0 111.288 -177.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -59.51 -23.02 62.46 Favored 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 111.598 0.222 . . . . 20.0 111.598 -174.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 514' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.05 -26.77 60.9 Favored 'General case' 0 CA--C 1.567 1.62 0 C-N-CA 122.336 0.254 . . . . 20.0 111.34 175.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 42.6 mt -74.18 -20.85 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 122.369 0.268 . . . . 20.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -94.24 -42.62 8.85 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.638 0.256 . . . . 20.0 110.994 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 87.2 p -72.82 -36.16 67.47 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.497 -0.319 . . . . 20.0 111.28 -177.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 518' ' ' TRP . . . . . . . . . . . . . 64.3 m95 50.57 32.2 6.49 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-O 121.195 0.522 . . . . 20.0 110.512 -169.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -70.7 -30.82 67.48 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.964 -0.562 . . . . 20.0 110.65 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 520' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -138.43 108.66 6.44 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 116.144 -0.48 . . . . 20.0 110.562 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . 0.504 ' HB2' ' CG1' ' A' ' 530' ' ' VAL . 13.4 ptpt -94.64 163.53 13.34 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.809 0.338 . . . . 20.0 110.702 174.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 522' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -127.88 81.85 69.52 Favored Pre-proline 0 CA--C 1.55 0.98 0 CA-C-N 116.021 -0.536 . . . . 20.0 110.71 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 523' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -67.3 130.97 23.72 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.666 2.244 . . . . 20.0 112.248 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 524' ' ' CYS . . . . . . . . . . . . . 51.1 t -65.07 144.27 57.37 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 116.265 -0.425 . . . . 20.0 110.805 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 525' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -75.59 -40.04 57.11 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 120.772 0.32 . . . . 20.0 110.846 177.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 526' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -84.65 -21.11 30.37 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 115.926 -0.579 . . . . 20.0 112.077 -169.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 527' ' ' CYS . . . . . . . . . . . . . 16.7 p -141.8 169.2 18.05 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 120.814 0.34 . . . . 20.0 110.787 174.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -86.26 9.44 17.72 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 112.603 0.594 . . . . 20.0 112.603 -169.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -81.34 159.19 24.47 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 120.94 0.4 . . . . 20.0 111.259 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . 0.504 ' CG1' ' HB2' ' A' ' 521' ' ' LYS . 39.9 t -123.54 140.26 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 115.933 -0.576 . . . . 20.0 111.034 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 531' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -110.84 145.77 33.05 Favored Pre-proline 0 CA--C 1.545 0.786 0 CA-C-N 115.967 -0.56 . . . . 20.0 110.63 173.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 532' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -85.53 -7.45 8.72 Favored 'Trans proline' 0 CA--C 1.55 1.312 0 C-N-CA 122.826 2.351 . . . . 20.0 112.783 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 5.5 mp -130.25 146.03 51.82 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.355 -0.384 . . . . 20.0 110.109 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -65.32 -42.34 93.06 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.638 -0.255 . . . . 20.0 111.362 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -68.7 -34.75 76.18 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 122.398 -0.188 . . . . 20.0 110.955 -177.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 536' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -64.35 -34.84 79.08 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 110.395 -0.224 . . . . 20.0 110.395 174.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 538' ' ' THR . 0.1 OUTLIER -61.2 -61.85 2.26 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 116.39 -0.368 . . . . 20.0 110.449 171.027 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . 0.407 ' N ' ' HD2' ' A' ' 537' ' ' ARG . 25.5 m -49.32 -54.28 17.87 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 115.921 -0.581 . . . . 20.0 111.184 -177.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -65.26 -31.04 71.98 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 116.38 -0.373 . . . . 20.0 110.98 -170.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -71.48 -42.21 68.36 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 116.663 -0.244 . . . . 20.0 111.036 172.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -68.91 -26.6 65.17 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 122.332 -0.23 . . . . 20.0 111.074 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 542' ' ' ILE . . . . . . . . . . . . . 34.7 mt -66.72 -30.73 50.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-O 120.65 0.262 . . . . 20.0 110.428 169.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 543' ' ' HIS . . . . . 0.432 ' HA ' HD11 ' A' ' 560' ' ' ILE . 4.7 t-80 -73.45 -25.27 60.42 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 116.416 -0.356 . . . . 20.0 111.061 175.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 544' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -80.56 -44.57 18.8 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-O 120.621 0.248 . . . . 20.0 110.983 175.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 545' ' ' THR . . . . . . . . . . . . . 19.4 p -81.3 -23.95 37.53 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 116.463 -0.335 . . . . 20.0 111.497 -174.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . 83.92 8.39 84.24 Favored Glycine 0 CA--C 1.544 1.869 0 C-N-CA 121.545 -0.36 . . . . 20.0 112.823 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 547' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -53.72 115.35 1.94 Allowed 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 120.906 0.384 . . . . 20.0 111.062 -177.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 548' ' ' ARG . . . . . . . . . . . . . 56.5 mmt-85 -82.95 88.44 6.83 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.339 -0.391 . . . . 20.0 110.668 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 549' ' ' ARG . . . . . . . . . . . . . 52.9 mmm-85 -72.34 -43.77 63.59 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 116.238 -0.437 . . . . 20.0 111.254 -177.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -106.4 115.86 30.94 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.403 -0.362 . . . . 20.0 110.889 -171.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 551' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -108.57 135.18 50.26 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.48 -0.327 . . . . 20.0 110.707 178.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 552' ' ' CYS . . . . . . . . . . . . . 34.2 t -71.75 152.61 42.6 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.432 -0.349 . . . . 20.0 110.264 174.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 553' ' ' LEU . . . . . . . . . . . . . 93.8 mt -113.93 -18.28 11.8 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.632 -0.258 . . . . 20.0 111.361 -178.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -75.11 -46.47 34.32 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 120.499 0.19 . . . . 20.0 110.943 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 555' ' ' CYS . . . . . . . . . . . . . 30.0 p -119.96 -2.1 10.33 Favored 'General case' 0 CA--C 1.562 1.407 0 N-CA-C 111.774 0.287 . . . . 20.0 111.774 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 82.47 -7.07 65.96 Favored Glycine 0 CA--C 1.554 2.493 0 C-N-CA 121.25 -0.5 . . . . 20.0 113.433 172.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -65.01 137.89 58.01 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 117.135 0.467 . . . . 20.0 111.163 -175.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 558' ' ' SER . . . . . . . . . . . . . 20.1 m -98.87 137.24 37.72 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.186 -0.461 . . . . 20.0 111.174 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 559' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -122.7 158.88 29.11 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 116.074 -0.512 . . . . 20.0 110.928 -178.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.432 HD11 ' HA ' ' A' ' 543' ' ' HIS . 15.8 tt -89.26 -25.61 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.228 0 CA-C-N 116.13 -0.487 . . . . 20.0 111.839 -170.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 561' ' ' ASN . . . . . . . . . . . . . 41.9 p30 -151.26 170.63 19.02 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-O 120.917 0.389 . . . . 20.0 111.243 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 562' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -66.72 -35.3 79.79 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 116.137 -0.483 . . . . 20.0 111.297 -175.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 563' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -61.95 -46.95 87.05 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 120.699 0.285 . . . . 20.0 110.978 -175.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 564' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -68.56 -43.36 76.78 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.491 -0.322 . . . . 20.0 110.823 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 565' ' ' MET . . . . . . . . . . . . . 16.6 ttp -58.14 -49.22 77.74 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 120.675 0.274 . . . . 20.0 111.077 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 566' ' ' SER . . . . . . . . . . . . . 47.6 t -60.85 -46.66 89.71 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.614 -0.266 . . . . 20.0 110.819 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 567' ' ' SER . . . . . . . . . . . . . 22.9 t -58.73 -42.03 87.83 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.425 -0.352 . . . . 20.0 110.896 177.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 568' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -63.77 -48.85 75.27 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.426 -0.352 . . . . 20.0 111.089 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 569' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.98 -44.06 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-O 120.561 0.22 . . . . 20.0 110.658 -178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 570' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.36 -38.76 85.3 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.517 -0.311 . . . . 20.0 111.185 -178.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 571' ' ' SER . . . . . . . . . . . . . 22.8 t -79.73 -38.99 32.11 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 111.632 0.234 . . . . 20.0 111.632 -176.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 572' ' ' VAL . . . . . . . . . . . . . 75.2 t -94.45 -46.43 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 CA-C-N 116.748 -0.206 . . . . 20.0 111.489 -170.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 573' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -100.03 -6.82 25.84 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.638 -0.255 . . . . 20.0 111.361 -174.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 574' ' ' SER . . . . . . . . . . . . . 2.3 t 56.16 38.39 29.8 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 120.966 0.412 . . . . 20.0 111.194 176.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -129.42 161.72 29.71 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.106 0.479 . . . . 20.0 111.024 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 576' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -102.41 119.25 56.77 Favored Pre-proline 0 CA--C 1.554 1.127 0 CA-C-N 115.84 -0.618 . . . . 20.0 110.582 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 577' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -56.74 -23.25 48.82 Favored 'Trans proline' 0 CA--C 1.555 1.528 0 C-N-CA 122.77 2.313 . . . . 20.0 112.88 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 578' ' ' SER . . . . . . . . . . . . . 42.2 t -85.01 5.25 30.17 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 122.503 0.321 . . . . 20.0 111.464 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 579' ' ' GLY . . . . . . . . . . . . . . . -82.06 -149.58 7.66 Favored Glycine 0 CA--C 1.543 1.833 0 C-N-CA 121.671 -0.299 . . . . 20.0 112.45 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -117.58 29.47 7.84 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 120.905 0.383 . . . . 20.0 111.237 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 581' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 582' ' ' LYS . 9.2 p -122.26 0.88 9.61 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 116.235 -0.439 . . . . 20.0 111.062 -177.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 582' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 581' ' ' SER . 30.0 mmmt 8.65 90.05 0.01 OUTLIER 'General case' 0 N--CA 1.525 3.298 0 C-N-CA 123.797 0.839 . . . . 20.0 112.555 -174.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 1.6 mp -89.44 22.07 3.1 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 115.903 -0.59 . . . . 20.0 111.556 -173.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 584' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -146.53 156.46 43.27 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 121.02 0.438 . . . . 20.0 111.43 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 585' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -126.44 134.92 50.85 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.619 -0.719 . . . . 20.0 110.099 175.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 tt -96.21 122.68 39.32 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 116.389 -0.368 . . . . 20.0 110.407 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 587' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -96.29 155.74 37.72 Favored Pre-proline 0 CA--C 1.553 1.076 0 CA-C-N 116.28 -0.418 . . . . 20.0 110.674 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 588' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -66.11 152.61 80.8 Favored 'Trans proline' 0 CA--C 1.547 1.137 0 C-N-CA 122.47 2.113 . . . . 20.0 112.129 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 589' ' ' CYS . . . . . . . . . . . . . 12.3 t -88.98 122.89 32.78 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.627 -0.26 . . . . 20.0 110.834 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 590' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -117.26 -29.72 5.8 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 116.296 -0.411 . . . . 20.0 111.585 -172.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . . . . . . . . . 50.1 m -71.2 -27.01 63.19 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 112.289 0.477 . . . . 20.0 112.289 -169.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 592' ' ' LEU . . . . . . . . . . . . . 2.3 pp -140.81 168.08 20.66 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 120.878 0.37 . . . . 20.0 111.265 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 593' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -91.38 111.73 23.35 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 116.02 -0.536 . . . . 20.0 111.56 -170.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 594' ' ' ILE . . . . . . . . . . . . . 25.9 pt -143.98 169.88 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 CA-C-N 115.658 -0.701 . . . . 20.0 109.893 169.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 595' ' ' ARG . . . . . . . . . . . . . 5.2 ptt-85 -69.38 171.87 7.99 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.75 -0.463 . . . . 20.0 109.75 170.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 596' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -148.29 152.47 37.18 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 120.981 0.419 . . . . 20.0 110.965 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 597' ' ' TYR . . . . . 0.531 ' H ' HD23 ' A' ' 600' ' ' LEU . 89.2 m-85 -103.67 152.13 22.15 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.707 -0.679 . . . . 20.0 110.647 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -66.19 -9.98 37.1 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 116.527 -0.306 . . . . 20.0 111.788 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 599' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -78.21 -17.26 56.99 Favored 'General case' 0 CA--C 1.56 1.36 0 O-C-N 122.37 -0.206 . . . . 20.0 111.045 174.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 600' ' ' LEU . . . . . 0.531 HD23 ' H ' ' A' ' 597' ' ' TYR . 0.6 OUTLIER -83.32 -27.13 29.98 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 109.922 -0.399 . . . . 20.0 109.922 169.272 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 67.9 m -71.21 -2.85 17.34 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-N 115.921 -0.581 . . . . 20.0 111.455 -178.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -144.17 167.7 21.79 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 122.591 0.356 . . . . 20.0 110.369 176.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -62.56 116.97 5.6 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 120.738 0.304 . . . . 20.0 110.771 -178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 604' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 N--CA 1.48 1.05 0 CA-C-N 116.076 -0.511 . . . . 20.0 110.795 -179.228 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.175 0 O5'-C5'-C4' 114.185 2.846 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.722 0 O4'-C4'-C3' 108.562 2.962 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.556 0 O5'-C5'-C4' 114.125 2.804 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.55 0 O5'-C5'-C4' 115.097 3.498 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.383 0 O4'-C4'-C3' 109.483 3.883 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.671 1 P-O3'-C3' 124.686 4.155 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.55 0 O4'-C4'-C3' 109.295 3.695 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 8' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.023 0 O4'-C4'-C3' 108.895 3.295 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.793 1 C3'-C2'-C1' 96.11 -4.707 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.282 0 C5'-C4'-C3' 110.194 -3.004 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.521 0 O5'-C5'-C4' 113.923 2.659 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.192 0 O5'-C5'-C4' 114.144 2.817 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.277 0 P-O3'-C3' 123.788 3.406 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.611 0 O5'-C5'-C4' 115.502 3.787 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.321 0 O4'-C4'-C3' 108.218 2.618 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.449 0 O4'-C4'-C3' 108.276 2.676 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.02 0 P-O3'-C3' 123.451 3.126 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.901 0 O4'-C4'-C3' 108.579 2.979 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.366 0 P-O3'-C3' 122.624 2.437 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.018 0 O4'-C4'-C3' 108.975 3.375 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.475 0 O4'-C4'-C3' 108.228 2.628 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.289 0 P-O3'-C3' 123.278 2.982 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.64 0 P-O3'-C3' 123.42 3.1 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.492 0 O4'-C4'-C3' 108.267 2.667 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.465 0 O5'-C5'-C4' 114.241 2.886 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.814 0 O5'-C5'-C4' 115.382 3.702 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 27' ' ' ' DG' . . . . . 0.47 " H1'" ' C8 ' ' E' ' 28' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.355 1 C3'-C2'-C1' 96.636 -4.331 . . . . 20.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 28' ' ' ' DG' . . . . . 0.47 ' C8 ' " H1'" ' E' ' 27' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.409 -1.686 0 P-O5'-C5' 126.775 3.672 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.817 0 O5'-C5'-C4' 114.491 3.065 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 30' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.183 0 P-O3'-C3' 123.268 2.974 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 31' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.048 1 O5'-C5'-C4' 116.275 4.34 . . . . 20.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' E' E ' 32' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.052 1 P-O3'-C3' 124.979 4.399 . . . . 20.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 33' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.613 0 O4'-C4'-C3' 108.994 3.394 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 34' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.489 0 P-O3'-C3' 123.286 2.989 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 35' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.527 0 O4'-C4'-C3' 108.629 3.029 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 36' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.466 0 O4'-C4'-C3' 108.687 3.087 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 37' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.649 0 O4'-C4'-C3' 108.657 3.057 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 38' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.208 0 P-O3'-C3' 122.857 2.631 . . . . 20.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 702' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 703' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_