data_2b6g_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 2b6g _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 full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.435 1.753 0 O5'-C5'-C4' 111.688 1.063 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.432 " O2'" " H5'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.047 0 O5'-C5'-C4' 111.716 1.083 . 0.571 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.432 " H5'" " O2'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.518 0 C4'-C3'-C2' 100.751 -1.949 . 0.939 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 2.472 0 C4'-C3'-C2' 100.342 -2.358 . 0.573 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 2.402 0 C4'-C3'-C2' 100.622 -2.078 . 0.608 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' C' . . . . . 0.628 " O2'" " H5'" ' B' ' 7' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.978 0 C3'-C2'-C1' 103.194 1.883 . 0.569 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . 0.628 " H5'" " O2'" ' B' ' 6' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.996 0 O5'-C5'-C4' 111.967 1.262 . 0.387 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' C' . . . . . 0.67 " O2'" ' P ' ' B' ' 9' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.427 0 C3'-C2'-C1' 104.579 3.422 OUTLIER-EPSILON 0.033 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' U' . . . . . 0.731 ' H6 ' ' OP1' ' B' ' 9' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.868 0 C4'-C3'-C2' 104.892 2.192 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . 0.599 ' O6 ' " H2'" ' B' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.06 0 O4'-C1'-N19 106.579 -1.621 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' G' . . . . . 1.119 " O2'" " H4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.611 1.841 0 C3'-C2'-C1' 103.406 2.117 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 1.119 " H4'" " O2'" ' B' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.127 0 C4'-C3'-C2' 104.776 2.076 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' A' . . . . . 0.4 ' P ' " O2'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.611 1.824 0 O5'-C5'-C4' 111.669 1.05 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.936 0 O5'-C5'-C4' 111.659 1.042 . 0.602 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . 0.566 " O2'" " H5'" ' B' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.336 0 O5'-C5'-C4' 112.035 1.311 . 0.877 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ' U' . . . . . 0.566 " H5'" " O2'" ' B' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 C3'-C2'-C1' 103.433 2.147 . 0.771 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ' U' . . . . . 0.604 " H2'" " O4'" ' B' ' 18' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.362 0 O5'-C5'-C4' 111.894 1.21 . 0.639 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ' U' . . . . . 0.781 " O2'" " H5'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 C3'-C2'-C1' 103.237 1.93 . 0.691 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.781 " H5'" " O2'" ' B' ' 18' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -2.006 0 C3'-C2'-C1' 103.399 2.11 . 0.307 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . 0.574 ' N ' ' CD ' ' A' ' 444' ' ' PRO . 63.9 t-20 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.463 0.649 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 443' ' ' ASN . 32.2 Cg_endo -63.17 -29.12 73.78 Favored 'Trans proline' 0 C--N 1.302 -1.901 0 C-N-CA 122.918 2.412 . . . . 0.0 112.098 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -58.04 -48.86 78.82 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 119.54 -0.864 . . . . 0.0 109.475 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' SER . . . . . 0.45 ' OG ' ' OD1' ' A' ' 443' ' ' ASN . 89.5 p -92.81 -34.83 13.71 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.332 -0.855 . . . . 0.0 110.495 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . 0.465 ' HG ' ' HE1' ' A' ' 459' ' ' TRP . 3.8 tp -65.84 -38.15 88.11 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.786 -1.196 . . . . 0.0 109.674 -179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 4.8 m -83.89 -14.27 51.5 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.936 -1.102 . . . . 0.0 109.782 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.1 124.66 46.45 Favored Pre-proline 0 N--CA 1.489 1.485 0 O-C-N 121.302 -0.874 . . . . 0.0 109.42 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -64.76 -32.7 56.06 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 121.798 1.665 . . . . 0.0 112.425 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -66.96 -41.92 86.06 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 452' ' ' LEU . 2.6 mm? -69.31 -43.75 73.15 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.248 -0.981 . . . . 0.0 109.013 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.24 -38.21 90.25 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.412 -0.915 . . . . 0.0 109.273 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.37 -41.59 97.33 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -94.49 98.07 10.6 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.215 -0.928 . . . . 0.0 109.697 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' ILE . . . . . 0.471 ' N ' ' CD ' ' A' ' 457' ' ' PRO . 0.8 OUTLIER -55.85 -44.99 99.94 Favored Pre-proline 0 N--CA 1.483 1.201 0 O-C-N 121.481 -0.762 . . . . 0.0 109.126 -179.808 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 456' ' ' ILE . 51.2 Cg_exo -55.36 -52.94 6.59 Favored 'Trans proline' 0 N--CA 1.491 1.361 0 C-N-CA 121.059 1.173 . . . . 0.0 111.704 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 53.1 mtt -62.71 -39.62 94.59 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 120.893 -1.129 . . . . 0.0 108.291 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' TRP . . . . . 0.465 ' HE1' ' HG ' ' A' ' 447' ' ' LEU . 20.4 t90 -58.11 -45.69 86.81 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.287 -0.965 . . . . 0.0 108.423 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.401 HD22 ' N ' ' A' ' 460' ' ' LEU . 3.6 mm? -64.92 -41.23 95.73 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.116 -0.99 . . . . 0.0 109.563 178.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -60.35 -39.21 86.34 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 11.5 t -59.33 -44.62 92.59 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.01 -1.056 . . . . 0.0 108.538 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.597 ' O ' ' CB ' ' A' ' 464' ' ' ARG . 98.2 mt -66.82 -34.36 77.64 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.383 -0.823 . . . . 0.0 109.416 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . 0.597 ' CB ' ' O ' ' A' ' 463' ' ' LEU . 0.0 OUTLIER 94.84 15.55 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.279 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.657 ' O ' ' N ' ' A' ' 467' ' ' LYS . 79.9 mt -107.26 22.12 16.46 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.558 -0.714 . . . . 0.0 109.42 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' HIS . . . . . 0.659 ' N ' ' CD2' ' A' ' 466' ' ' HIS . 0.0 OUTLIER -38.6 -19.31 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.387 0.613 . . . . 0.0 109.848 -179.585 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.657 ' N ' ' O ' ' A' ' 465' ' ' LEU . 62.9 tttp -49.76 -42.14 45.75 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.107 -0.996 . . . . 0.0 109.105 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -88.08 -13.7 40.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.086 -1.009 . . . . 0.0 110.357 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' SER . . . . . 0.427 ' O ' ' OG ' ' A' ' 473' ' ' SER . 13.4 t -53.63 -35.47 60.99 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.138 -0.976 . . . . 0.0 110.144 -178.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -64.15 -28.27 69.65 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.233 -0.917 . . . . 0.0 109.528 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -100.83 -47.65 4.74 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.063 -1.023 . . . . 0.0 110.536 -179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.12 -38.44 91.06 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.303 -0.873 . . . . 0.0 110.276 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 469' ' ' SER . 80.1 p -53.37 157.65 1.95 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.147 -0.971 . . . . 0.0 109.598 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 97.68 -8.37 63.79 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 1.5 m -132.87 136.13 27.16 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.336 -1.096 . . . . 0.0 108.798 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -67.42 147.73 78.02 Favored 'Trans proline' 0 N--CA 1.498 1.775 0 C-N-CA 122.399 2.066 . . . . 0.0 113.255 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' TRP . . . . . . . . . . . . . 30.0 p-90 -66.17 -23.31 66.44 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.651 -0.656 . . . . 0.0 109.39 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' ILE . . . . . 0.424 HG12 ' HZ2' ' A' ' 513' ' ' LYS . 87.0 mt -61.8 -44.21 98.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -88.13 -31.78 19.0 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . . . . . . . . . 4.9 tp -59.57 -42.93 93.59 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.648 -1.282 . . . . 0.0 109.053 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' ILE . . . . . . . . . . . . . 42.6 pt -60.46 -13.18 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 118.314 -1.355 . . . . 0.0 109.608 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -89.16 0.27 56.88 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.212 -0.93 . . . . 0.0 110.25 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' LEU . . . . . . . . . . . . . 95.9 mt -81.7 140.27 34.42 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.083 -1.011 . . . . 0.0 109.886 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -88.37 165.31 15.05 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.083 -1.011 . . . . 0.0 110.008 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -61.65 -36.29 80.39 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.118 -0.988 . . . . 0.0 109.503 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.27 -42.24 93.4 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' THR . . . . . . . . . . . . . 97.2 m -63.71 -44.01 94.88 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 178.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.39 -42.59 98.97 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 118.883 -1.127 . . . . 0.0 108.716 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -63.86 -44.15 93.98 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.223 -0.923 . . . . 0.0 109.436 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.58 -41.55 99.01 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.15 -0.968 . . . . 0.0 109.175 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -65.44 -44.87 85.97 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.366 -0.834 . . . . 0.0 109.231 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' GLY . . . . . 0.488 ' O ' ' C ' ' A' ' 493' ' ' VAL . . . 165.76 -132.45 2.66 Favored Glycine 0 N--CA 1.479 1.562 0 C-N-CA 119.627 -1.273 . . . . 0.0 109.924 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' VAL . . . . . 0.488 ' C ' ' O ' ' A' ' 492' ' ' GLY . 3.6 p 31.0 60.64 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.266 0 CA-C-O 121.53 0.681 . . . . 0.0 110.04 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . 0.522 ' O ' ' C ' ' A' ' 495' ' ' ALA . 8.6 mp -63.37 -40.11 96.35 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.765 -1.209 . . . . 0.0 109.852 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . 0.522 ' C ' ' O ' ' A' ' 494' ' ' LEU . . . -34.67 110.38 0.09 Allowed 'General case' 0 C--N 1.308 -1.217 0 CA-C-O 122.094 0.95 . . . . 0.0 110.245 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' LEU . . . . . 0.464 ' HA ' ' HE ' ' A' ' 499' ' ' ARG . 64.8 tp -61.78 -44.15 97.44 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' GLY . . . . . 0.454 ' N ' H5'' ' B' ' 9' ' ' ' U' . . . -54.45 -50.53 56.43 Favored Glycine 0 N--CA 1.485 1.932 0 N-CA-C 108.263 -1.935 . . . . 0.0 108.263 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.77 82.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.177 -1.19 . . . . 0.0 108.792 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . 0.464 ' HE ' ' HA ' ' A' ' 496' ' ' LEU . 82.9 mtm180 -63.0 -37.37 86.92 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.243 -0.911 . . . . 0.0 109.543 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.37 -49.82 51.89 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.329 -0.857 . . . . 0.0 109.861 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -62.13 -47.06 86.24 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . . . . . . . . . 92.0 mt -62.55 -40.27 96.27 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' LEU . . . . . . . . . . . . . 57.3 tp -61.22 -46.55 89.96 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.953 -1.092 . . . . 0.0 109.011 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -62.64 -47.55 83.22 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.233 -0.917 . . . . 0.0 109.322 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -57.22 -49.2 76.74 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.267 -0.896 . . . . 0.0 108.916 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -62.33 -36.87 83.54 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -61.84 -45.92 95.21 Favored Glycine 0 N--CA 1.487 2.069 0 N-CA-C 108.216 -1.954 . . . . 0.0 108.216 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' ILE . . . . . . . . . . . . . 38.6 mm -63.94 -42.66 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.121 -1.223 . . . . 0.0 108.826 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 78.0 t -61.06 -43.74 96.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.292 -0.88 . . . . 0.0 109.256 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 81.3 mt -62.89 -41.71 93.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -61.42 -46.89 88.23 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -62.19 -41.6 98.5 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 119.232 -0.987 . . . . 0.0 108.815 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . 0.424 ' HZ2' HG12 ' A' ' 478' ' ' ILE . 53.6 tttp -60.99 -43.11 99.35 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.326 -0.859 . . . . 0.0 108.737 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.97 -44.1 90.49 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 119.659 -0.816 . . . . 0.0 108.859 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' ARG . . . . . 0.473 ' O ' ' CB ' ' A' ' 516' ' ' ASP . 42.7 ttm180 -60.22 -35.95 76.58 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 515' ' ' ARG . 7.7 t0 77.83 23.7 0.77 Allowed 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.517 -0.739 . . . . 0.0 109.789 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 10.0 tp -82.33 -2.02 51.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.224 -0.923 . . . . 0.0 109.05 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 90.5 mt -79.85 134.25 27.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.416 -0.802 . . . . 0.0 109.229 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 520' ' ' ARG . 54.6 t0 -60.17 137.71 58.05 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.266 -0.896 . . . . 0.0 109.545 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . 0.521 ' N ' ' OD1' ' A' ' 519' ' ' ASP . 42.2 mtm-85 -54.32 -20.99 8.2 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.445 -0.784 . . . . 0.0 108.988 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 48.9 m -52.03 -25.42 8.51 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -63.6 -35.52 80.8 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.967 -1.083 . . . . 0.0 109.407 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 117.945 -1.026 . . . . 0.0 109.751 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.435 1.753 0 O5'-C5'-C4' 111.688 1.063 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.418 " O2'" " H5'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.047 0 O5'-C5'-C4' 111.716 1.083 . 0.571 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.418 " H5'" " O2'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.518 0 C4'-C3'-C2' 100.751 -1.949 . 0.939 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 2.472 0 C4'-C3'-C2' 100.342 -2.358 . 0.573 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 2.402 0 C4'-C3'-C2' 100.622 -2.078 . 0.608 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' C' . . . . . 0.618 " O2'" " H5'" ' B' ' 7' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.978 0 C3'-C2'-C1' 103.194 1.883 . 0.569 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . 0.618 " H5'" " O2'" ' B' ' 6' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.996 0 O5'-C5'-C4' 111.967 1.262 . 0.387 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' C' . . . . . 0.67 " O2'" ' P ' ' B' ' 9' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.427 0 C3'-C2'-C1' 104.579 3.422 OUTLIER-EPSILON 0.033 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' U' . . . . . 0.721 ' OP1' ' H6 ' ' B' ' 9' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.868 0 C4'-C3'-C2' 104.892 2.192 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . 0.59 ' O6 ' " H2'" ' B' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.06 0 O4'-C1'-N19 106.579 -1.621 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' G' . . . . . 1.105 " O2'" " H4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.611 1.841 0 C3'-C2'-C1' 103.406 2.117 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 1.105 " H4'" " O2'" ' B' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.127 0 C4'-C3'-C2' 104.776 2.076 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' A' . . . . . 0.402 ' P ' HO2' ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.611 1.824 0 O5'-C5'-C4' 111.669 1.05 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.936 0 O5'-C5'-C4' 111.659 1.042 . 0.602 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . 0.559 " O2'" " H5'" ' B' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.336 0 O5'-C5'-C4' 112.035 1.311 . 0.877 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ' U' . . . . . 0.559 " H5'" " O2'" ' B' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 C3'-C2'-C1' 103.433 2.147 . 0.771 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ' U' . . . . . 0.658 " H2'" " O4'" ' B' ' 18' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.362 0 O5'-C5'-C4' 111.894 1.21 . 0.639 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ' U' . . . . . 0.771 " O2'" " H5'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 C3'-C2'-C1' 103.237 1.93 . 0.691 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . 0.771 " H5'" " O2'" ' B' ' 18' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -2.006 0 C3'-C2'-C1' 103.399 2.11 . 0.307 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' ASN . . . . . 0.574 ' N ' ' CD ' ' A' ' 444' ' ' PRO . 63.9 t-20 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.463 0.649 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 443' ' ' ASN . 32.2 Cg_endo -63.17 -29.12 73.78 Favored 'Trans proline' 0 C--N 1.302 -1.901 0 C-N-CA 122.918 2.412 . . . . 0.0 112.098 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -58.04 -48.86 78.82 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 119.54 -0.864 . . . . 0.0 109.475 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 446' ' ' SER . . . . . 0.445 ' HG ' ' CG ' ' A' ' 443' ' ' ASN . 89.5 p -92.81 -34.83 13.71 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.332 -0.855 . . . . 0.0 110.495 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 447' ' ' LEU . . . . . 0.5 ' HG ' ' HE1' ' A' ' 459' ' ' TRP . 3.8 tp -65.84 -38.15 88.11 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.786 -1.196 . . . . 0.0 109.674 -179.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 4.8 m -83.89 -14.27 51.5 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.936 -1.102 . . . . 0.0 109.782 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.1 124.66 46.45 Favored Pre-proline 0 N--CA 1.489 1.485 0 O-C-N 121.302 -0.874 . . . . 0.0 109.42 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -64.76 -32.7 56.06 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 121.798 1.665 . . . . 0.0 112.425 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -66.96 -41.92 86.06 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -69.31 -43.75 73.15 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.248 -0.981 . . . . 0.0 109.013 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.452 HD21 ' O ' ' A' ' 447' ' ' LEU . 95.8 mt -63.24 -38.21 90.25 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.412 -0.915 . . . . 0.0 109.273 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.37 -41.59 97.33 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -94.49 98.07 10.6 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.215 -0.928 . . . . 0.0 109.697 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 456' ' ' ILE . . . . . 0.471 ' N ' ' CD ' ' A' ' 457' ' ' PRO . 0.8 OUTLIER -55.85 -44.99 99.94 Favored Pre-proline 0 N--CA 1.483 1.201 0 O-C-N 121.481 -0.762 . . . . 0.0 109.126 -179.808 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 457' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 456' ' ' ILE . 51.2 Cg_exo -55.36 -52.94 6.59 Favored 'Trans proline' 0 N--CA 1.491 1.361 0 C-N-CA 121.059 1.173 . . . . 0.0 111.704 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 53.1 mtt -62.71 -39.62 94.59 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 120.893 -1.129 . . . . 0.0 108.291 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' TRP . . . . . 0.5 ' HE1' ' HG ' ' A' ' 447' ' ' LEU . 20.4 t90 -58.11 -45.69 86.81 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.287 -0.965 . . . . 0.0 108.423 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.92 -41.23 95.73 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.116 -0.99 . . . . 0.0 109.563 178.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -60.35 -39.21 86.34 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 11.5 t -59.33 -44.62 92.59 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.01 -1.056 . . . . 0.0 108.538 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.597 ' O ' ' CB ' ' A' ' 464' ' ' ARG . 98.2 mt -66.82 -34.36 77.64 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.383 -0.823 . . . . 0.0 109.416 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 464' ' ' ARG . . . . . 0.597 ' CB ' ' O ' ' A' ' 463' ' ' LEU . 0.0 OUTLIER 94.84 15.55 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.279 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.657 ' O ' ' N ' ' A' ' 467' ' ' LYS . 79.9 mt -107.26 22.12 16.46 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.558 -0.714 . . . . 0.0 109.42 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 466' ' ' HIS . . . . . 0.453 ' ND1' ' N ' ' A' ' 466' ' ' HIS . 0.0 OUTLIER -38.6 -19.31 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.387 0.613 . . . . 0.0 109.848 -179.585 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 467' ' ' LYS . . . . . 0.657 ' N ' ' O ' ' A' ' 465' ' ' LEU . 62.9 tttp -49.76 -42.14 45.75 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.107 -0.996 . . . . 0.0 109.105 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -88.08 -13.7 40.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.086 -1.009 . . . . 0.0 110.357 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 13.4 t -53.63 -35.47 60.99 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.138 -0.976 . . . . 0.0 110.144 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -64.15 -28.27 69.65 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.233 -0.917 . . . . 0.0 109.528 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -100.83 -47.65 4.74 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.063 -1.023 . . . . 0.0 110.536 -179.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.12 -38.44 91.06 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.303 -0.873 . . . . 0.0 110.276 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 473' ' ' SER . . . . . 0.428 ' HA ' HG21 ' A' ' 456' ' ' ILE . 80.1 p -53.37 157.65 1.95 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.147 -0.971 . . . . 0.0 109.598 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 97.68 -8.37 63.79 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 1.5 m -132.87 136.13 27.16 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.336 -1.096 . . . . 0.0 108.798 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -67.42 147.73 78.02 Favored 'Trans proline' 0 N--CA 1.498 1.775 0 C-N-CA 122.399 2.066 . . . . 0.0 113.255 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 477' ' ' TRP . . . . . 0.682 ' O ' HG23 ' A' ' 481' ' ' ILE . 30.0 p-90 -66.17 -23.31 66.44 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.651 -0.656 . . . . 0.0 109.39 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 87.0 mt -61.8 -44.21 98.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -88.13 -31.78 19.0 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.4 HD23 ' CZ ' ' A' ' 506' ' ' PHE . 4.9 tp -59.57 -42.93 93.59 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.648 -1.282 . . . . 0.0 109.053 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 481' ' ' ILE . . . . . 0.682 HG23 ' O ' ' A' ' 477' ' ' TRP . 42.6 pt -60.46 -13.18 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 118.314 -1.355 . . . . 0.0 109.608 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -89.16 0.27 56.88 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.212 -0.93 . . . . 0.0 110.25 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 483' ' ' LEU . . . . . 0.422 HD22 HG21 ' A' ' 487' ' ' THR . 95.9 mt -81.7 140.27 34.42 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.083 -1.011 . . . . 0.0 109.886 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -88.37 165.31 15.05 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.083 -1.011 . . . . 0.0 110.008 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 485' ' ' ASP . . . . . 0.502 ' OD2' HD22 ' A' ' 503' ' ' LEU . 54.2 m-20 -61.65 -36.29 80.39 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.118 -0.988 . . . . 0.0 109.503 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.27 -42.24 93.4 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 487' ' ' THR . . . . . 0.422 HG21 HD22 ' A' ' 483' ' ' LEU . 97.2 m -63.71 -44.01 94.88 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 178.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.39 -42.59 98.97 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 118.883 -1.127 . . . . 0.0 108.716 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -63.86 -44.15 93.98 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.223 -0.923 . . . . 0.0 109.436 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.58 -41.55 99.01 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.15 -0.968 . . . . 0.0 109.175 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -65.44 -44.87 85.97 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.366 -0.834 . . . . 0.0 109.231 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 492' ' ' GLY . . . . . 0.488 ' O ' ' C ' ' A' ' 493' ' ' VAL . . . 165.76 -132.45 2.66 Favored Glycine 0 N--CA 1.479 1.562 0 C-N-CA 119.627 -1.273 . . . . 0.0 109.924 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 493' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 493' ' ' VAL . 3.6 p 31.0 60.64 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.266 0 CA-C-O 121.53 0.681 . . . . 0.0 110.04 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.522 ' O ' ' C ' ' A' ' 495' ' ' ALA . 8.6 mp -63.37 -40.11 96.35 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.765 -1.209 . . . . 0.0 109.852 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 495' ' ' ALA . . . . . 0.588 ' HB1' ' C6 ' ' B' ' 10' ' ' ' G' . . . -34.67 110.38 0.09 Allowed 'General case' 0 C--N 1.308 -1.217 0 CA-C-O 122.094 0.95 . . . . 0.0 110.245 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 496' ' ' LEU . . . . . 0.528 HD21 ' NH2' ' A' ' 500' ' ' ARG . 64.8 tp -61.78 -44.15 97.44 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 497' ' ' GLY . . . . . 0.462 ' N ' H5'' ' B' ' 9' ' ' ' U' . . . -54.45 -50.53 56.43 Favored Glycine 0 N--CA 1.485 1.932 0 N-CA-C 108.263 -1.935 . . . . 0.0 108.263 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.77 82.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.177 -1.19 . . . . 0.0 108.792 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 499' ' ' ARG . . . . . 0.488 ' HE ' ' HA ' ' A' ' 496' ' ' LEU . 82.9 mtm180 -63.0 -37.37 86.92 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.243 -0.911 . . . . 0.0 109.543 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 500' ' ' ARG . . . . . 0.528 ' NH2' HD21 ' A' ' 496' ' ' LEU . 98.9 mtt180 -69.37 -49.82 51.89 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.329 -0.857 . . . . 0.0 109.861 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -62.13 -47.06 86.24 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.466 HD21 HD12 ' A' ' 465' ' ' LEU . 92.0 mt -62.55 -40.27 96.27 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 503' ' ' LEU . . . . . 0.502 HD22 ' OD2' ' A' ' 485' ' ' ASP . 57.3 tp -61.22 -46.55 89.96 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.953 -1.092 . . . . 0.0 109.011 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -62.64 -47.55 83.22 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.233 -0.917 . . . . 0.0 109.322 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -57.22 -49.2 76.74 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.267 -0.896 . . . . 0.0 108.916 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 506' ' ' PHE . . . . . 0.4 ' CZ ' HD23 ' A' ' 480' ' ' LEU . 28.1 m-85 -62.33 -36.87 83.54 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -61.84 -45.92 95.21 Favored Glycine 0 N--CA 1.487 2.069 0 N-CA-C 108.216 -1.954 . . . . 0.0 108.216 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 508' ' ' ILE . . . . . 0.437 HD13 ' HA ' ' A' ' 508' ' ' ILE . 38.6 mm -63.94 -42.66 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.121 -1.223 . . . . 0.0 108.826 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 78.0 t -61.06 -43.74 96.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.292 -0.88 . . . . 0.0 109.256 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 81.3 mt -62.89 -41.71 93.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -61.42 -46.89 88.23 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -62.19 -41.6 98.5 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 119.232 -0.987 . . . . 0.0 108.815 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -60.99 -43.11 99.35 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.326 -0.859 . . . . 0.0 108.737 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.97 -44.1 90.49 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 119.659 -0.816 . . . . 0.0 108.859 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 515' ' ' ARG . . . . . 0.473 ' O ' ' CB ' ' A' ' 516' ' ' ASP . 42.7 ttm180 -60.22 -35.95 76.58 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 516' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 515' ' ' ARG . 7.7 t0 77.83 23.7 0.77 Allowed 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.517 -0.739 . . . . 0.0 109.789 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 517' ' ' LEU . . . . . 0.438 ' HA ' HD12 ' A' ' 517' ' ' LEU . 10.0 tp -82.33 -2.02 51.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.224 -0.923 . . . . 0.0 109.05 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 90.5 mt -79.85 134.25 27.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.416 -0.802 . . . . 0.0 109.229 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 519' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 520' ' ' ARG . 54.6 t0 -60.17 137.71 58.05 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.266 -0.896 . . . . 0.0 109.545 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 520' ' ' ARG . . . . . 0.543 HH11 ' HG3' ' A' ' 520' ' ' ARG . 42.2 mtm-85 -54.32 -20.99 8.2 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.445 -0.784 . . . . 0.0 108.988 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 48.9 m -52.03 -25.42 8.51 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -63.6 -35.52 80.8 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.967 -1.083 . . . . 0.0 109.407 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 117.945 -1.026 . . . . 0.0 109.751 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.435 1.753 0 O5'-C5'-C4' 111.688 1.063 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.418 " O2'" " H5'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.047 0 O5'-C5'-C4' 111.716 1.083 . 0.571 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.418 " H5'" " O2'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.518 0 C4'-C3'-C2' 100.751 -1.949 . 0.939 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 2.472 0 C4'-C3'-C2' 100.342 -2.358 . 0.573 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 2.402 0 C4'-C3'-C2' 100.622 -2.078 . 0.608 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' C' . . . . . 0.618 " O2'" " H5'" ' B' ' 7' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.978 0 C3'-C2'-C1' 103.194 1.883 . 0.569 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . 0.618 " H5'" " O2'" ' B' ' 6' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.996 0 O5'-C5'-C4' 111.967 1.262 . 0.387 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' C' . . . . . 0.67 " O2'" ' P ' ' B' ' 9' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.427 0 C3'-C2'-C1' 104.579 3.422 OUTLIER-EPSILON 0.033 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' U' . . . . . 0.721 ' OP1' ' H6 ' ' B' ' 9' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.868 0 C4'-C3'-C2' 104.892 2.192 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . 0.59 ' O6 ' " H2'" ' B' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.06 0 O4'-C1'-N19 106.579 -1.621 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' G' . . . . . 1.105 " O2'" " H4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.611 1.841 0 C3'-C2'-C1' 103.406 2.117 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 1.105 " H4'" " O2'" ' B' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.127 0 C4'-C3'-C2' 104.776 2.076 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' A' . . . . . 0.402 ' P ' HO2' ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.611 1.824 0 O5'-C5'-C4' 111.669 1.05 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.936 0 O5'-C5'-C4' 111.659 1.042 . 0.602 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . 0.559 " O2'" " H5'" ' B' ' 16' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.336 0 O5'-C5'-C4' 112.035 1.311 . 0.877 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ' U' . . . . . 0.559 " H5'" " O2'" ' B' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 C3'-C2'-C1' 103.433 2.147 . 0.771 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ' U' . . . . . 0.658 " H2'" " O4'" ' B' ' 18' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.362 0 O5'-C5'-C4' 111.894 1.21 . 0.639 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ' U' . . . . . 0.771 " O2'" " H5'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 C3'-C2'-C1' 103.237 1.93 . 0.691 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . 0.771 " H5'" " O2'" ' B' ' 18' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -2.006 0 C3'-C2'-C1' 103.399 2.11 . 0.307 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . 0.574 ' N ' ' CD ' ' A' ' 444' ' ' PRO . 63.9 t-20 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.463 0.649 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 443' ' ' ASN . 32.2 Cg_endo -63.17 -29.12 73.78 Favored 'Trans proline' 0 C--N 1.302 -1.901 0 C-N-CA 122.918 2.412 . . . . 0.0 112.098 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -58.04 -48.86 78.82 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 119.54 -0.864 . . . . 0.0 109.475 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' SER . . . . . 0.445 ' HG ' ' CG ' ' A' ' 443' ' ' ASN . 89.5 p -92.81 -34.83 13.71 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.332 -0.855 . . . . 0.0 110.495 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . 0.5 ' HG ' ' HE1' ' A' ' 459' ' ' TRP . 3.8 tp -65.84 -38.15 88.11 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.786 -1.196 . . . . 0.0 109.674 -179.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' THR . . . . . . . . . . . . . 4.8 m -83.89 -14.27 51.5 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.936 -1.102 . . . . 0.0 109.782 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.1 124.66 46.45 Favored Pre-proline 0 N--CA 1.489 1.485 0 O-C-N 121.302 -0.874 . . . . 0.0 109.42 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -64.76 -32.7 56.06 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 121.798 1.665 . . . . 0.0 112.425 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -66.96 -41.92 86.06 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -69.31 -43.75 73.15 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.248 -0.981 . . . . 0.0 109.013 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.452 HD21 ' O ' ' A' ' 447' ' ' LEU . 95.8 mt -63.24 -38.21 90.25 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.412 -0.915 . . . . 0.0 109.273 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.37 -41.59 97.33 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -94.49 98.07 10.6 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.215 -0.928 . . . . 0.0 109.697 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' ILE . . . . . 0.471 ' N ' ' CD ' ' A' ' 457' ' ' PRO . 0.8 OUTLIER -55.85 -44.99 99.94 Favored Pre-proline 0 N--CA 1.483 1.201 0 O-C-N 121.481 -0.762 . . . . 0.0 109.126 -179.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 456' ' ' ILE . 51.2 Cg_exo -55.36 -52.94 6.59 Favored 'Trans proline' 0 N--CA 1.491 1.361 0 C-N-CA 121.059 1.173 . . . . 0.0 111.704 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' MET . . . . . . . . . . . . . 53.1 mtt -62.71 -39.62 94.59 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 120.893 -1.129 . . . . 0.0 108.291 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' TRP . . . . . 0.5 ' HE1' ' HG ' ' A' ' 447' ' ' LEU . 20.4 t90 -58.11 -45.69 86.81 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.287 -0.965 . . . . 0.0 108.423 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.92 -41.23 95.73 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.116 -0.99 . . . . 0.0 109.563 178.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -60.35 -39.21 86.34 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . . . . . . . . . 11.5 t -59.33 -44.62 92.59 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.01 -1.056 . . . . 0.0 108.538 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.597 ' O ' ' CB ' ' A' ' 464' ' ' ARG . 98.2 mt -66.82 -34.36 77.64 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.383 -0.823 . . . . 0.0 109.416 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . 0.597 ' CB ' ' O ' ' A' ' 463' ' ' LEU . 0.0 OUTLIER 94.84 15.55 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.279 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.657 ' O ' ' N ' ' A' ' 467' ' ' LYS . 79.9 mt -107.26 22.12 16.46 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.558 -0.714 . . . . 0.0 109.42 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' HIS . . . . . 0.659 ' CD2' ' N ' ' A' ' 466' ' ' HIS . 0.0 OUTLIER -38.6 -19.31 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.387 0.613 . . . . 0.0 109.848 -179.585 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . 0.657 ' N ' ' O ' ' A' ' 465' ' ' LEU . 62.9 tttp -49.76 -42.14 45.75 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.107 -0.996 . . . . 0.0 109.105 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -88.08 -13.7 40.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.086 -1.009 . . . . 0.0 110.357 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' SER . . . . . . . . . . . . . 13.4 t -53.63 -35.47 60.99 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.138 -0.976 . . . . 0.0 110.144 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -64.15 -28.27 69.65 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.233 -0.917 . . . . 0.0 109.528 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -100.83 -47.65 4.74 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.063 -1.023 . . . . 0.0 110.536 -179.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.12 -38.44 91.06 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.303 -0.873 . . . . 0.0 110.276 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . 0.428 ' HA ' HG21 ' A' ' 456' ' ' ILE . 80.1 p -53.37 157.65 1.95 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.147 -0.971 . . . . 0.0 109.598 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . 97.68 -8.37 63.79 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' THR . . . . . . . . . . . . . 1.5 m -132.87 136.13 27.16 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.336 -1.096 . . . . 0.0 108.798 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -67.42 147.73 78.02 Favored 'Trans proline' 0 N--CA 1.498 1.775 0 C-N-CA 122.399 2.066 . . . . 0.0 113.255 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' TRP . . . . . 0.682 ' O ' HG23 ' A' ' 481' ' ' ILE . 30.0 p-90 -66.17 -23.31 66.44 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.651 -0.656 . . . . 0.0 109.39 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' ILE . . . . . . . . . . . . . 87.0 mt -61.8 -44.21 98.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -88.13 -31.78 19.0 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.4 HD23 ' CZ ' ' A' ' 506' ' ' PHE . 4.9 tp -59.57 -42.93 93.59 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.648 -1.282 . . . . 0.0 109.053 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' ILE . . . . . 0.682 HG23 ' O ' ' A' ' 477' ' ' TRP . 42.6 pt -60.46 -13.18 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 118.314 -1.355 . . . . 0.0 109.608 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -89.16 0.27 56.88 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.212 -0.93 . . . . 0.0 110.25 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' LEU . . . . . 0.422 HD22 HG21 ' A' ' 487' ' ' THR . 95.9 mt -81.7 140.27 34.42 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.083 -1.011 . . . . 0.0 109.886 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -88.37 165.31 15.05 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.083 -1.011 . . . . 0.0 110.008 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' ASP . . . . . 0.502 ' OD2' HD22 ' A' ' 503' ' ' LEU . 54.2 m-20 -61.65 -36.29 80.39 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.118 -0.988 . . . . 0.0 109.503 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.27 -42.24 93.4 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' THR . . . . . 0.422 HG21 HD22 ' A' ' 483' ' ' LEU . 97.2 m -63.71 -44.01 94.88 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 178.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.39 -42.59 98.97 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 118.883 -1.127 . . . . 0.0 108.716 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -63.86 -44.15 93.98 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.223 -0.923 . . . . 0.0 109.436 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.58 -41.55 99.01 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.15 -0.968 . . . . 0.0 109.175 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -65.44 -44.87 85.97 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.366 -0.834 . . . . 0.0 109.231 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' GLY . . . . . 0.488 ' O ' ' C ' ' A' ' 493' ' ' VAL . . . 165.76 -132.45 2.66 Favored Glycine 0 N--CA 1.479 1.562 0 C-N-CA 119.627 -1.273 . . . . 0.0 109.924 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 493' ' ' VAL . 3.6 p 31.0 60.64 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.266 0 CA-C-O 121.53 0.681 . . . . 0.0 110.04 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.522 ' O ' ' C ' ' A' ' 495' ' ' ALA . 8.6 mp -63.37 -40.11 96.35 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.765 -1.209 . . . . 0.0 109.852 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . 0.588 ' HB1' ' C6 ' ' B' ' 10' ' ' ' G' . . . -34.67 110.38 0.09 Allowed 'General case' 0 C--N 1.308 -1.217 0 CA-C-O 122.094 0.95 . . . . 0.0 110.245 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' LEU . . . . . 0.528 HD21 ' NH2' ' A' ' 500' ' ' ARG . 64.8 tp -61.78 -44.15 97.44 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' GLY . . . . . 0.462 ' N ' H5'' ' B' ' 9' ' ' ' U' . . . -54.45 -50.53 56.43 Favored Glycine 0 N--CA 1.485 1.932 0 N-CA-C 108.263 -1.935 . . . . 0.0 108.263 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.77 82.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.177 -1.19 . . . . 0.0 108.792 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . 0.488 ' HE ' ' HA ' ' A' ' 496' ' ' LEU . 82.9 mtm180 -63.0 -37.37 86.92 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.243 -0.911 . . . . 0.0 109.543 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' ARG . . . . . 0.528 ' NH2' HD21 ' A' ' 496' ' ' LEU . 98.9 mtt180 -69.37 -49.82 51.89 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.329 -0.857 . . . . 0.0 109.861 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -62.13 -47.06 86.24 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.466 HD21 HD12 ' A' ' 465' ' ' LEU . 92.0 mt -62.55 -40.27 96.27 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' LEU . . . . . 0.502 HD22 ' OD2' ' A' ' 485' ' ' ASP . 57.3 tp -61.22 -46.55 89.96 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.953 -1.092 . . . . 0.0 109.011 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -62.64 -47.55 83.22 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.233 -0.917 . . . . 0.0 109.322 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' ALA . . . . . . . . . . . . . . . -57.22 -49.2 76.74 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.267 -0.896 . . . . 0.0 108.916 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' PHE . . . . . 0.4 ' CZ ' HD23 ' A' ' 480' ' ' LEU . 28.1 m-85 -62.33 -36.87 83.54 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -61.84 -45.92 95.21 Favored Glycine 0 N--CA 1.487 2.069 0 N-CA-C 108.216 -1.954 . . . . 0.0 108.216 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' ILE . . . . . 0.437 HD13 ' HA ' ' A' ' 508' ' ' ILE . 38.6 mm -63.94 -42.66 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.121 -1.223 . . . . 0.0 108.826 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 78.0 t -61.06 -43.74 96.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.292 -0.88 . . . . 0.0 109.256 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' ILE . . . . . . . . . . . . . 81.3 mt -62.89 -41.71 93.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -61.42 -46.89 88.23 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -62.19 -41.6 98.5 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 119.232 -0.987 . . . . 0.0 108.815 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -60.99 -43.11 99.35 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.326 -0.859 . . . . 0.0 108.737 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.97 -44.1 90.49 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 119.659 -0.816 . . . . 0.0 108.859 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' ARG . . . . . 0.473 ' O ' ' CB ' ' A' ' 516' ' ' ASP . 42.7 ttm180 -60.22 -35.95 76.58 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 515' ' ' ARG . 7.7 t0 77.83 23.7 0.77 Allowed 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.517 -0.739 . . . . 0.0 109.789 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . 0.438 ' HA ' HD12 ' A' ' 517' ' ' LEU . 10.0 tp -82.33 -2.02 51.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.224 -0.923 . . . . 0.0 109.05 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 90.5 mt -79.85 134.25 27.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.416 -0.802 . . . . 0.0 109.229 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 520' ' ' ARG . 54.6 t0 -60.17 137.71 58.05 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.266 -0.896 . . . . 0.0 109.545 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . 0.543 HH11 ' HG3' ' A' ' 520' ' ' ARG . 42.2 mtm-85 -54.32 -20.99 8.2 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.445 -0.784 . . . . 0.0 108.988 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 48.9 m -52.03 -25.42 8.51 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -63.6 -35.52 80.8 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.967 -1.083 . . . . 0.0 109.407 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 117.945 -1.026 . . . . 0.0 109.751 179.854 . . . . . . . . 1 1 . 1 stop_ save_