data_1j46_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 1j46 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.8 mtm . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 121.523 0.677 . . . . 4.3099999999999996 109.462 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -106.99 133.68 51.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.543 -0.723 . . . . 4.1200000000000001 110.626 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -92.34 128.3 38.14 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 107.21 -1.404 . . . . 1.4199999999999999 107.21 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -87.67 144.95 26.38 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.687 -1.258 . . . . 3.6299999999999999 109.735 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.8 t -89.35 129.84 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 121.289 -0.882 . . . . 1.1100000000000001 109.442 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -89.32 156.23 18.85 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.242 -0.651 . . . . 2.3300000000000001 109.242 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.684 ' NH1' ' CZ ' ' A' ' 74' ' ' TYR . 64.3 mtp180 -69.59 151.51 96.57 Favored Pre-proline 0 N--CA 1.495 1.779 0 O-C-N 121.151 -0.968 . . . . 1.45 111.118 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -57.88 141.49 95.95 Favored 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 121.851 1.701 . . . . 0.92000000000000004 110.352 177.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.497 ' CE ' HH11 ' A' ' 17' ' ' ARG . 78.0 mtm -73.63 133.53 43.48 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.211 -0.93 . . . . 1.3 110.076 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.425 ' ND2' ' N3 ' ' C' ' 122' ' ' ' DG' . 80.2 m-20 -80.13 167.37 20.46 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.286 -0.884 . . . . 0.39000000000000001 110.574 -178.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.69 -36.67 25.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.716 -0.615 . . . . 1.04 111.062 -177.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.468 ' O ' ' OG ' ' A' ' 16' ' ' SER . 35.4 t80 -75.05 -43.58 52.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.626 -1.296 . . . . 0.56000000000000005 109.948 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.488 ' CD1' ' C2 ' ' B' ' 108' ' ' ' DA' . 16.6 mm -62.64 -44.88 99.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 120.716 -1.24 . . . . 1.03 108.636 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.7 t -61.42 -49.12 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.812 -1.18 . . . . 1.04 108.635 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 59.8 t90 -63.93 -27.91 69.47 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.648 -0.657 . . . . 0.20999999999999999 111.082 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 12' ' ' PHE . 1.2 p -81.16 -35.68 31.16 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.934 -1.104 . . . . 1.8 109.376 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.497 HH11 ' CE ' ' A' ' 9' ' ' MET . 49.1 mtp180 -50.11 -49.99 49.91 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.763 -1.21 . . . . 2.6000000000000001 109.408 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -82.37 -36.63 26.61 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.835 -1.166 . . . . 0.19 110.591 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -71.4 -41.89 69.04 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.743 -1.223 . . . . 1.8799999999999999 108.788 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 16' ' ' SER . 46.4 ttm-85 -55.46 -43.86 75.86 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.453 -0.779 . . . . 2.5600000000000001 109.849 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -68.37 -36.55 79.35 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.687 -1.258 . . . . 2.6800000000000002 109.346 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -59.82 -46.77 88.19 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.043 -1.035 . . . . 2.4500000000000002 108.887 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 27' ' ' ASN . 6.3 tpp -67.6 -32.98 74.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.745 -0.597 . . . . 1.45 110.593 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.406 ' O ' ' CA ' ' A' ' 28' ' ' PRO . . . -70.15 -36.93 75.09 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.926 -1.109 . . . . 1.04 110.012 -179.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.0 mt -70.02 -37.43 75.62 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.795 -1.19 . . . . 1.0600000000000001 108.372 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.451 ' C ' ' OD1' ' A' ' 27' ' ' ASN . 88.2 mt-10 -82.06 -29.39 31.89 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.311 -0.996 . . . . 1.8999999999999999 108.311 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 23' ' ' MET . 2.7 m-20 -129.69 65.97 76.15 Favored Pre-proline 0 N--CA 1.494 1.727 0 N-CA-C 108.537 -0.912 . . . . 0.95999999999999996 108.537 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.406 ' CA ' ' O ' ' A' ' 24' ' ' ALA . 46.0 Cg_endo -72.28 -6.59 19.37 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.771 2.314 . . . . 0.64000000000000001 113.534 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -110.22 -1.62 17.25 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.844 -1.16 . . . . 4.0 108.961 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.3 tpp -81.16 137.84 35.9 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 107.792 -1.188 . . . . 1.05 107.792 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -75.98 148.21 38.27 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.064 -1.023 . . . . 2.8100000000000001 109.32 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.587 ' ND2' " O4'" ' B' ' 111' ' ' ' DC' . 3.3 m120 -57.59 -27.47 62.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.866 -1.146 . . . . 0.13 109.437 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 m -61.11 -39.75 91.16 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 120.639 -1.288 . . . . 0.19 109.884 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -82.78 -40.78 19.98 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 120.735 -1.228 . . . . 1.8700000000000001 109.331 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.429 HG22 HD11 ' A' ' 35' ' ' ILE . 70.5 mt -60.08 -45.34 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 120.585 -1.322 . . . . 1.03 108.196 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 32' ' ' ASN . 26.2 m -53.71 -34.98 60.62 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.234 -0.916 . . . . 0.79000000000000004 109.354 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -71.56 -43.07 67.0 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.477 -0.764 . . . . 2.3700000000000001 111.466 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -70.44 -38.62 74.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.369 -1.457 . . . . 2.6299999999999999 109.648 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.41 -42.08 95.23 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.031 -1.043 . . . . 1.03 108.633 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.14 -39.3 97.8 Favored Glycine 0 N--CA 1.484 1.898 0 N-CA-C 108.813 -1.715 . . . . 0.17000000000000001 108.813 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -65.58 -45.24 84.01 Favored 'General case' 0 N--CA 1.485 1.312 0 O-C-N 121.319 -1.107 . . . . 0.98999999999999999 108.862 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -68.74 -41.07 79.47 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.334 -0.854 . . . . 1.9099999999999999 109.677 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.417 ' HE1' ' P ' ' C' ' 122' ' ' ' DG' . 70.0 t-105 -59.71 -36.92 77.5 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.306 -0.871 . . . . 0.25 110.399 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -70.6 -13.02 61.93 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.072 -1.018 . . . . 2.4199999999999999 110.462 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.5 mmt -94.99 -7.43 39.8 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.706 -1.246 . . . . 2.6299999999999999 111.083 -178.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.2 mt -73.0 150.95 42.01 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.524 -1.36 . . . . 1.05 108.693 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.0 p -86.09 168.59 13.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.933 -1.104 . . . . 1.0700000000000001 108.932 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -66.66 -38.04 86.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.953 -1.092 . . . . 1.8700000000000001 109.682 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.78 97.99 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.376 -0.972 . . . . 1.0900000000000001 108.376 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -69.53 -36.83 76.76 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.53 -0.731 . . . . 2.0899999999999999 109.489 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -76.06 -29.9 58.18 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.936 -1.103 . . . . 1.0800000000000001 109.716 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.44 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 35.4 t-105 -45.63 -54.89 13.91 Favored Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.145 -0.972 . . . . 0.46999999999999997 111.445 -178.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 52' ' ' TRP . 1.5 Cg_endo -50.75 -31.22 32.04 Favored 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 121.146 1.231 . . . . 0.57999999999999996 112.281 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -83.57 -30.97 26.6 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.859 -1.151 . . . . 0.28000000000000003 109.498 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.33 -44.5 64.97 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.946 -1.096 . . . . 0.93000000000000005 108.368 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -59.45 -41.88 90.67 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 119.35 -0.94 . . . . 2.5600000000000001 109.392 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -63.67 -43.76 95.75 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.826 -1.171 . . . . 1.8400000000000001 109.261 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.37 -38.3 86.48 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 107.379 -1.341 . . . . 1.04 107.379 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -64.26 -40.86 96.86 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.987 -0.745 . . . . 2.21 108.987 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -68.35 -42.07 79.78 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.313 -0.867 . . . . 2.6899999999999999 109.163 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.7 mt -62.65 -35.74 80.62 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.126 -1.064 . . . . 1.0600000000000001 108.126 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.553 ' NE2' ' OP1' ' C' ' 124' ' ' ' DG' . 51.1 tt0 -69.64 -41.98 74.89 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.228 -0.92 . . . . 1.5 109.627 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.82 -44.58 73.19 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.027 -1.046 . . . . 1.05 108.879 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.8 ttp -65.99 -37.92 87.18 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.286 -1.005 . . . . 1.96 108.286 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -62.63 -39.24 93.19 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.06 -1.089 . . . . 0.32000000000000001 108.06 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -67.8 -27.51 66.79 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.615 -0.678 . . . . 3.7400000000000002 109.642 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -72.34 -35.01 68.44 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.817 -1.177 . . . . 1.8500000000000001 109.035 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -69.99 -42.54 72.93 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.267 -1.012 . . . . 2.3500000000000001 108.267 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -128.68 78.38 76.09 Favored Pre-proline 0 N--CA 1.495 1.815 0 O-C-N 121.176 -0.953 . . . . 0.94999999999999996 109.195 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -61.74 -16.43 48.72 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.773 2.315 . . . . 0.82999999999999996 112.852 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -106.73 6.56 29.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.274 -0.891 . . . . 1.8500000000000001 110.128 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -63.91 141.47 58.76 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.097 -1.002 . . . . 0.98999999999999999 110.94 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -133.92 139.49 46.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.682 -0.636 . . . . 2.04 109.454 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.684 ' CZ ' ' NH1' ' A' ' 7' ' ' ARG . 18.6 t80 -78.68 117.39 19.78 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.25 -1.389 . . . . 1.02 107.25 177.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -130.17 85.54 56.81 Favored Pre-proline 0 C--N 1.301 -1.532 0 O-C-N 121.306 -0.871 . . . . 3.8700000000000001 109.257 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -67.71 151.68 78.68 Favored 'Trans proline' 0 N--CA 1.491 1.362 0 C-N-CA 122.082 1.855 . . . . 0.26000000000000001 112.896 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -89.17 125.33 35.01 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.628 -0.829 . . . . 3.9399999999999999 109.227 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -86.43 139.93 30.46 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.53 0.681 . . . . 2.8100000000000001 109.693 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -92.65 164.64 13.33 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.679 -0.86 . . . . 2.52 108.679 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.24 110.2 3.4 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 118.082 -1.447 . . . . 1.26 108.265 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.405 ' HZ3' H5'' ' B' ' 105' ' ' ' DC' . 69.8 tttt -139.19 122.81 17.41 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.213 -0.93 . . . . 2.8799999999999999 109.899 -178.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.7 ttt -132.35 115.02 15.07 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.595 -0.891 . . . . 3.8300000000000001 108.595 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 56.6 mt -90.93 141.48 26.67 Favored Pre-proline 0 N--CA 1.489 1.523 0 O-C-N 121.059 -1.026 . . . . 3.21 109.602 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -64.27 153.91 73.98 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.313 2.009 . . . . 4.0899999999999999 112.011 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 117.993 -1.003 . . . . 5.8399999999999999 109.435 -179.698 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.877 0 O4'-C1'-C2' 108.208 1.916 . . . . 0.95999999999999996 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.402 0 O5'-C5'-C4' 113.205 2.147 . . . . 0.45000000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.299 0 O5'-C5'-C4' 113.539 2.385 . . . . 0.32000000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.898 0 O5'-C5'-C4' 113.601 2.429 . . . . 0.26000000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.405 H5'' ' HZ3' ' A' ' 81' ' ' LYS . . . . . . . . 0 P--O5' 1.607 1.37 0 O5'-C5'-C4' 113.589 2.42 . . . . 0.23000000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.536 ' N3 ' ' OH ' ' A' ' 74' ' ' TYR . . . . . . . . 0 P--O5' 1.603 1.037 0 O4'-C4'-C3' 107.324 1.724 . . . . 0.26000000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.206 0 O4'-C4'-C3' 107.728 2.128 . . . . 0.23999999999999999 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.488 ' C2 ' ' CD1' ' A' ' 13' ' ' ILE . . . . . . . . 0 O4'--C4' 1.414 -2.934 0 O4'-C1'-N19 105.328 -3.09 . . . . 0.23000000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.523 1.479 0 O4'-C4'-C3' 108.165 2.565 . . . . 0.20000000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.52 1.129 0 O4'-C4'-C3' 108.104 2.504 . . . . 0.16 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.587 " O4'" ' ND2' ' A' ' 32' ' ' ASN . . . . . . . . 0 C3'--C2' 1.537 1.944 0 O4'-C4'-C3' 107.941 2.341 . . . . 0.14000000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.405 0 O4'-C1'-C2' 107.987 1.716 . . . . 0.19 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.925 0 O4'-C4'-C3' 107.761 2.161 . . . . 0.27000000000000002 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.936 0 O4'-C4'-C3' 108.305 2.705 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.702 0 O4'-C1'-C2' 108.811 2.465 . . . . 0.81000000000000005 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.139 0 O5'-C5'-C4' 112.852 1.894 . . . . 0.38 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.862 0 O4'-C4'-C3' 107.808 2.208 . . . . 0.33000000000000002 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.717 0 O4'-C4'-C3' 108.015 2.415 . . . . 0.25 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.374 0 O5'-C5'-C4' 113.888 2.634 . . . . 0.17000000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.08 0 O5'-C5'-C4' 114.611 3.151 . . . . 0.17000000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.84 0 C4'-C3'-C2' 105.93 2.73 . . . . 0.17000000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.425 ' N3 ' ' ND2' ' A' ' 10' ' ' ASN . . . . . . . . 0 P--O5' 1.612 1.916 0 C4'-C3'-C2' 104.969 1.769 . . . . 0.17999999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . 0.416 ' O2 ' ' NH2' ' A' ' 7' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.937 0 O4'-C4'-C3' 108.368 2.768 . . . . 0.17999999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 124' ' ' ' DG' . . . . . 0.553 ' OP1' ' NE2' ' A' ' 62' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O4'-C4'-C3' 107.698 2.098 . . . . 0.20999999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 125' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.604 1.079 0 C4'-C3'-C2' 105.753 2.553 . . . . 0.22 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.291 0 O4'-C4'-C3' 107.53 1.93 . . . . 0.28999999999999998 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.523 1.509 0 O4'-C4'-C3' 107.708 2.108 . . . . 0.40000000000000002 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.617 0 O4'-C4'-C3' 107.838 2.238 . . . . 1.0900000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.8 mtm . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 121.523 0.677 . . . . 3.92 109.462 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -106.99 133.68 51.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.543 -0.723 . . . . 3.5 110.626 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -92.34 128.3 38.14 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 107.21 -1.404 . . . . 1.42 107.21 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -87.67 144.95 26.38 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.687 -1.258 . . . . 3.11 109.735 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.8 t -89.35 129.84 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 121.289 -0.882 . . . . 0.4 109.442 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -89.32 156.23 18.85 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.242 -0.651 . . . . 1.84 109.242 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.684 ' NH1' ' CZ ' ' A' ' 74' ' ' TYR . 64.3 mtp180 -69.59 151.51 96.57 Favored Pre-proline 0 N--CA 1.495 1.779 0 O-C-N 121.151 -0.968 . . . . 1.26 111.118 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -57.88 141.49 95.95 Favored 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 121.851 1.701 . . . . 0.57 110.352 177.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.51 ' CE ' HH11 ' A' ' 17' ' ' ARG . 78.0 mtm -73.63 133.53 43.48 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.211 -0.93 . . . . 0.97 110.076 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.425 ' ND2' ' N3 ' ' C' ' 122' ' ' ' DG' . 80.2 m-20 -80.13 167.37 20.46 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.286 -0.884 . . . . 0.29 110.574 -178.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.69 -36.67 25.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.716 -0.615 . . . . 0.18 111.062 -177.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 35.4 t80 -75.05 -43.58 52.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.626 -1.296 . . . . 0.45 109.948 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.773 HD11 ' C2 ' ' B' ' 108' ' ' ' DA' . 16.6 mm -62.64 -44.88 99.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 120.716 -1.24 . . . . 0.15 108.636 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.7 t -61.42 -49.12 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.812 -1.18 . . . . 0.16 108.635 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 59.8 t90 -63.93 -27.91 69.47 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.648 -0.657 . . . . 0.19 111.082 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' ARG . 1.2 p -81.16 -35.68 31.16 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.934 -1.104 . . . . 1.23 109.376 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.51 HH11 ' CE ' ' A' ' 9' ' ' MET . 49.1 mtp180 -50.11 -49.99 49.91 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.763 -1.21 . . . . 2.17 109.408 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -82.37 -36.63 26.61 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.835 -1.166 . . . . 0.19 110.591 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -71.4 -41.89 69.04 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.743 -1.223 . . . . 1.15 108.788 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 16' ' ' SER . 46.4 ttm-85 -55.46 -43.86 75.86 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.453 -0.779 . . . . 1.83 109.849 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -68.37 -36.55 79.35 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.687 -1.258 . . . . 1.92 109.346 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -59.82 -46.77 88.19 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.043 -1.035 . . . . 1.97 108.887 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.506 ' O ' ' N ' ' A' ' 27' ' ' ASN . 6.3 tpp -67.6 -32.98 74.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.745 -0.597 . . . . 0.97 110.593 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.406 ' O ' ' CA ' ' A' ' 28' ' ' PRO . . . -70.15 -36.93 75.09 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.926 -1.109 . . . . 0.17 110.012 -179.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.0 mt -70.02 -37.43 75.62 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.795 -1.19 . . . . 0.22 108.372 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.451 ' C ' ' OD1' ' A' ' 27' ' ' ASN . 88.2 mt-10 -82.06 -29.39 31.89 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.311 -0.996 . . . . 1.9 108.311 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 23' ' ' MET . 2.7 m-20 -129.69 65.97 76.15 Favored Pre-proline 0 N--CA 1.494 1.727 0 N-CA-C 108.537 -0.912 . . . . 0.68 108.537 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.406 ' CA ' ' O ' ' A' ' 24' ' ' ALA . 46.0 Cg_endo -72.28 -6.59 19.37 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.771 2.314 . . . . 0.33 113.534 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -110.22 -1.62 17.25 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.844 -1.16 . . . . 3.35 108.961 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.3 tpp -81.16 137.84 35.9 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 107.792 -1.188 . . . . 0.22 107.792 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -75.98 148.21 38.27 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.064 -1.023 . . . . 2.02 109.32 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.587 ' ND2' " O4'" ' B' ' 111' ' ' ' DC' . 3.3 m120 -57.59 -27.47 62.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.866 -1.146 . . . . 0.12 109.437 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 m -61.11 -39.75 91.16 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 120.639 -1.288 . . . . 0.13 109.884 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -82.78 -40.78 19.98 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 120.735 -1.228 . . . . 1.87 109.331 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.5 mt -60.08 -45.34 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 120.585 -1.322 . . . . 0.14 108.196 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.2 m -53.71 -34.98 60.62 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.234 -0.916 . . . . 0.11 109.354 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -71.56 -43.07 67.0 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.477 -0.764 . . . . 1.86 111.466 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -70.44 -38.62 74.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.369 -1.457 . . . . 2.1 109.648 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 39' ' ' LEU . 86.9 mt -60.41 -42.08 95.23 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.031 -1.043 . . . . 0.16 108.633 179.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.14 -39.3 97.8 Favored Glycine 0 N--CA 1.484 1.898 0 N-CA-C 108.813 -1.715 . . . . 0.17 108.813 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -65.58 -45.24 84.01 Favored 'General case' 0 N--CA 1.485 1.312 0 O-C-N 121.319 -1.107 . . . . 0.4 108.862 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -68.74 -41.07 79.47 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.334 -0.854 . . . . 1.68 109.677 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.46 ' HE1' ' P ' ' C' ' 122' ' ' ' DG' . 70.0 t-105 -59.71 -36.92 77.5 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.306 -0.871 . . . . 0.23 110.399 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -70.6 -13.02 61.93 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.072 -1.018 . . . . 1.94 110.462 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.5 mmt -94.99 -7.43 39.8 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.706 -1.246 . . . . 2.17 111.083 -178.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.419 HD12 ' CE3' ' A' ' 43' ' ' TRP . 63.2 mt -73.0 150.95 42.01 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.524 -1.36 . . . . 0.23 108.693 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.0 p -86.09 168.59 13.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.933 -1.104 . . . . 0.3 108.932 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -66.66 -38.04 86.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.953 -1.092 . . . . 1.87 109.682 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.78 97.99 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.376 -0.972 . . . . 0.33 108.376 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -69.53 -36.83 76.76 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.53 -0.731 . . . . 2.09 109.489 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -76.06 -29.9 58.18 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.936 -1.103 . . . . 0.41 109.716 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.458 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 35.4 t-105 -45.63 -54.89 13.91 Favored Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.145 -0.972 . . . . 0.43 111.445 -178.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' ' 52' ' ' TRP . 1.5 Cg_endo -50.75 -31.22 32.04 Favored 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 121.146 1.231 . . . . 0.32 112.281 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -83.57 -30.97 26.6 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.859 -1.151 . . . . 0.25 109.498 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.33 -44.5 64.97 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.946 -1.096 . . . . 0.58 108.368 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -59.45 -41.88 90.67 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 119.35 -0.94 . . . . 1.9 109.392 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -63.67 -43.76 95.75 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.826 -1.171 . . . . 1.84 109.261 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.486 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . -61.37 -38.3 86.48 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 107.379 -1.341 . . . . 0.18 107.379 178.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -64.26 -40.86 96.86 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.987 -0.745 . . . . 1.97 108.987 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -68.35 -42.07 79.78 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.313 -0.867 . . . . 2.24 109.163 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 58' ' ' ALA . 22.7 mt -62.65 -35.74 80.62 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.126 -1.064 . . . . 0.26 108.126 178.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.553 ' NE2' ' OP1' ' C' ' 124' ' ' ' DG' . 51.1 tt0 -69.64 -41.98 74.89 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.228 -0.92 . . . . 0.94 109.627 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.82 -44.58 73.19 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.027 -1.046 . . . . 0.24 108.879 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.8 ttp -65.99 -37.92 87.18 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.286 -1.005 . . . . 1.55 108.286 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -62.63 -39.24 93.19 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.06 -1.089 . . . . 0.28 108.06 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -67.8 -27.51 66.79 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.615 -0.678 . . . . 3.11 109.642 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -72.34 -35.01 68.44 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.817 -1.177 . . . . 1.85 109.035 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -69.99 -42.54 72.93 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.267 -1.012 . . . . 1.85 108.267 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -128.68 78.38 76.09 Favored Pre-proline 0 N--CA 1.495 1.815 0 O-C-N 121.176 -0.953 . . . . 0.31 109.195 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -61.74 -16.43 48.72 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.773 2.315 . . . . 0.47 112.852 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -106.73 6.56 29.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.274 -0.891 . . . . 1.14 110.128 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -63.91 141.47 58.76 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.097 -1.002 . . . . 0.36 110.94 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -133.92 139.49 46.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.682 -0.636 . . . . 1.5 109.454 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.684 ' CZ ' ' NH1' ' A' ' 7' ' ' ARG . 18.6 t80 -78.68 117.39 19.78 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.25 -1.389 . . . . 0.56 107.25 177.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -130.17 85.54 56.81 Favored Pre-proline 0 C--N 1.301 -1.532 0 O-C-N 121.306 -0.871 . . . . 3.23 109.257 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -67.71 151.68 78.68 Favored 'Trans proline' 0 N--CA 1.491 1.362 0 C-N-CA 122.082 1.855 . . . . 0.26 112.896 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -89.17 125.33 35.01 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.628 -0.829 . . . . 3.3 109.227 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.402 ' HE ' ' HB3' ' A' ' 78' ' ' ARG . 9.5 mmm180 -86.43 139.93 30.46 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.53 0.681 . . . . 2.03 109.693 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -92.65 164.64 13.33 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.679 -0.86 . . . . 2.03 108.679 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.24 110.2 3.4 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 118.082 -1.447 . . . . 0.84 108.265 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -139.19 122.81 17.41 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.213 -0.93 . . . . 2.52 109.899 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.7 ttt -132.35 115.02 15.07 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.595 -0.891 . . . . 3.5 108.595 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 56.6 mt -90.93 141.48 26.67 Favored Pre-proline 0 N--CA 1.489 1.523 0 O-C-N 121.059 -1.026 . . . . 2.93 109.602 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -64.27 153.91 73.98 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.313 2.009 . . . . 3.83 112.011 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 117.993 -1.003 . . . . 5.55 109.435 -179.698 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.877 0 O4'-C1'-C2' 108.208 1.916 . . . . 0.51 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.402 0 O5'-C5'-C4' 113.205 2.147 . . . . 0.45 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.299 0 O5'-C5'-C4' 113.539 2.385 . . . . 0.32 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.898 0 O5'-C5'-C4' 113.601 2.429 . . . . 0.26 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.607 1.37 0 O5'-C5'-C4' 113.589 2.42 . . . . 0.23 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.535 ' N3 ' ' OH ' ' A' ' 74' ' ' TYR . . . . . . . . 0 P--O5' 1.603 1.037 0 O4'-C4'-C3' 107.324 1.724 . . . . 0.26 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.206 0 O4'-C4'-C3' 107.728 2.128 . . . . 0.24 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.773 ' C2 ' HD11 ' A' ' 13' ' ' ILE . . . . . . . . 0 O4'--C4' 1.414 -2.934 0 O4'-C1'-N19 105.328 -3.09 . . . . 0.23 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.523 1.479 0 O4'-C4'-C3' 108.165 2.565 . . . . 0.2 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.52 1.129 0 O4'-C4'-C3' 108.104 2.504 . . . . 0.16 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.587 " O4'" ' ND2' ' A' ' 32' ' ' ASN . . . . . . . . 0 C3'--C2' 1.537 1.944 0 O4'-C4'-C3' 107.941 2.341 . . . . 0.14 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.405 0 O4'-C1'-C2' 107.987 1.716 . . . . 0.18 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.925 0 O4'-C4'-C3' 107.761 2.161 . . . . 0.25 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.936 0 O4'-C4'-C3' 108.305 2.705 . . . . 0.41 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 115' ' ' ' DG' . . . . . 0.786 HO5' ' H8 ' ' C' ' 115' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.702 0 O4'-C1'-C2' 108.811 2.465 . . . . 0.37 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.139 0 O5'-C5'-C4' 112.852 1.894 . . . . 0.38 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.862 0 O4'-C4'-C3' 107.808 2.208 . . . . 0.33 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 118' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.717 0 O4'-C4'-C3' 108.015 2.415 . . . . 0.25 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.374 0 O5'-C5'-C4' 113.888 2.634 . . . . 0.17 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 120' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.08 0 O5'-C5'-C4' 114.611 3.151 . . . . 0.17 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.41 " H4'" ' CD1' ' A' ' 43' ' ' TRP . . . . . . . . 0 P--O5' 1.611 1.84 0 C4'-C3'-C2' 105.93 2.73 . . . . 0.17 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.46 ' P ' ' HE1' ' A' ' 43' ' ' TRP . . . . . . . . 0 P--O5' 1.612 1.916 0 C4'-C3'-C2' 104.969 1.769 . . . . 0.18 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . 0.416 ' O2 ' ' NH2' ' A' ' 7' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.937 0 O4'-C4'-C3' 108.368 2.768 . . . . 0.17 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 124' ' ' ' DG' . . . . . 0.553 ' OP1' ' NE2' ' A' ' 62' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O4'-C4'-C3' 107.698 2.098 . . . . 0.21 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 125' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.604 1.079 0 C4'-C3'-C2' 105.753 2.553 . . . . 0.22 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.291 0 O4'-C4'-C3' 107.53 1.93 . . . . 0.29 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.523 1.509 0 O4'-C4'-C3' 107.708 2.108 . . . . 0.4 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.617 0 O4'-C4'-C3' 107.838 2.238 . . . . 0.56 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.8 mtm . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 121.523 0.677 . . . . 3.92 109.462 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -106.99 133.68 51.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.543 -0.723 . . . . 3.5 110.626 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -92.34 128.3 38.14 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 107.21 -1.404 . . . . 1.42 107.21 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -87.67 144.95 26.38 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.687 -1.258 . . . . 3.11 109.735 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.8 t -89.35 129.84 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 121.289 -0.882 . . . . 0.4 109.442 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -89.32 156.23 18.85 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.242 -0.651 . . . . 1.84 109.242 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.684 ' NH1' ' CZ ' ' A' ' 74' ' ' TYR . 64.3 mtp180 -69.59 151.51 96.57 Favored Pre-proline 0 N--CA 1.495 1.779 0 O-C-N 121.151 -0.968 . . . . 1.26 111.118 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -57.88 141.49 95.95 Favored 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 121.851 1.701 . . . . 0.57 110.352 177.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.51 ' CE ' HH11 ' A' ' 17' ' ' ARG . 78.0 mtm -73.63 133.53 43.48 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.211 -0.93 . . . . 0.97 110.076 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.425 ' ND2' ' N3 ' ' C' ' 122' ' ' ' DG' . 80.2 m-20 -80.13 167.37 20.46 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.286 -0.884 . . . . 0.29 110.574 -178.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.69 -36.67 25.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.716 -0.615 . . . . 0.18 111.062 -177.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 35.4 t80 -75.05 -43.58 52.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.626 -1.296 . . . . 0.45 109.948 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.773 HD11 ' C2 ' ' B' ' 108' ' ' ' DA' . 16.6 mm -62.64 -44.88 99.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 120.716 -1.24 . . . . 0.15 108.636 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.7 t -61.42 -49.12 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.812 -1.18 . . . . 0.16 108.635 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 59.8 t90 -63.93 -27.91 69.47 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.648 -0.657 . . . . 0.19 111.082 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' ARG . 1.2 p -81.16 -35.68 31.16 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.934 -1.104 . . . . 1.23 109.376 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.51 HH11 ' CE ' ' A' ' 9' ' ' MET . 49.1 mtp180 -50.11 -49.99 49.91 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.763 -1.21 . . . . 2.17 109.408 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -82.37 -36.63 26.61 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.835 -1.166 . . . . 0.19 110.591 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -71.4 -41.89 69.04 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.743 -1.223 . . . . 1.15 108.788 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 16' ' ' SER . 46.4 ttm-85 -55.46 -43.86 75.86 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.453 -0.779 . . . . 1.83 109.849 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -68.37 -36.55 79.35 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.687 -1.258 . . . . 1.92 109.346 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -59.82 -46.77 88.19 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.043 -1.035 . . . . 1.97 108.887 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.506 ' O ' ' N ' ' A' ' 27' ' ' ASN . 6.3 tpp -67.6 -32.98 74.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.745 -0.597 . . . . 0.97 110.593 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.406 ' O ' ' CA ' ' A' ' 28' ' ' PRO . . . -70.15 -36.93 75.09 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.926 -1.109 . . . . 0.17 110.012 -179.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.0 mt -70.02 -37.43 75.62 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.795 -1.19 . . . . 0.22 108.372 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.451 ' C ' ' OD1' ' A' ' 27' ' ' ASN . 88.2 mt-10 -82.06 -29.39 31.89 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.311 -0.996 . . . . 1.9 108.311 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 23' ' ' MET . 2.7 m-20 -129.69 65.97 76.15 Favored Pre-proline 0 N--CA 1.494 1.727 0 N-CA-C 108.537 -0.912 . . . . 0.68 108.537 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.406 ' CA ' ' O ' ' A' ' 24' ' ' ALA . 46.0 Cg_endo -72.28 -6.59 19.37 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.771 2.314 . . . . 0.33 113.534 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -110.22 -1.62 17.25 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.844 -1.16 . . . . 3.35 108.961 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.3 tpp -81.16 137.84 35.9 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 107.792 -1.188 . . . . 0.22 107.792 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -75.98 148.21 38.27 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.064 -1.023 . . . . 2.02 109.32 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.587 ' ND2' " O4'" ' B' ' 111' ' ' ' DC' . 3.3 m120 -57.59 -27.47 62.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.866 -1.146 . . . . 0.12 109.437 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 m -61.11 -39.75 91.16 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 120.639 -1.288 . . . . 0.13 109.884 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -82.78 -40.78 19.98 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 120.735 -1.228 . . . . 1.87 109.331 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.5 mt -60.08 -45.34 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 120.585 -1.322 . . . . 0.14 108.196 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.2 m -53.71 -34.98 60.62 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.234 -0.916 . . . . 0.11 109.354 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -71.56 -43.07 67.0 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.477 -0.764 . . . . 1.86 111.466 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -70.44 -38.62 74.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.369 -1.457 . . . . 2.1 109.648 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 39' ' ' LEU . 86.9 mt -60.41 -42.08 95.23 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.031 -1.043 . . . . 0.16 108.633 179.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.14 -39.3 97.8 Favored Glycine 0 N--CA 1.484 1.898 0 N-CA-C 108.813 -1.715 . . . . 0.17 108.813 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -65.58 -45.24 84.01 Favored 'General case' 0 N--CA 1.485 1.312 0 O-C-N 121.319 -1.107 . . . . 0.4 108.862 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -68.74 -41.07 79.47 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.334 -0.854 . . . . 1.68 109.677 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.46 ' HE1' ' P ' ' C' ' 122' ' ' ' DG' . 70.0 t-105 -59.71 -36.92 77.5 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.306 -0.871 . . . . 0.23 110.399 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -70.6 -13.02 61.93 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.072 -1.018 . . . . 1.94 110.462 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.5 mmt -94.99 -7.43 39.8 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.706 -1.246 . . . . 2.17 111.083 -178.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.419 HD12 ' CE3' ' A' ' 43' ' ' TRP . 63.2 mt -73.0 150.95 42.01 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.524 -1.36 . . . . 0.23 108.693 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.0 p -86.09 168.59 13.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.933 -1.104 . . . . 0.3 108.932 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -66.66 -38.04 86.03 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.953 -1.092 . . . . 1.87 109.682 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.78 97.99 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.376 -0.972 . . . . 0.33 108.376 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -69.53 -36.83 76.76 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.53 -0.731 . . . . 2.09 109.489 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -76.06 -29.9 58.18 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.936 -1.103 . . . . 0.41 109.716 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.458 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 35.4 t-105 -45.63 -54.89 13.91 Favored Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.145 -0.972 . . . . 0.43 111.445 -178.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' ' 52' ' ' TRP . 1.5 Cg_endo -50.75 -31.22 32.04 Favored 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 121.146 1.231 . . . . 0.32 112.281 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -83.57 -30.97 26.6 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.859 -1.151 . . . . 0.25 109.498 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.33 -44.5 64.97 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.946 -1.096 . . . . 0.58 108.368 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -59.45 -41.88 90.67 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 119.35 -0.94 . . . . 1.9 109.392 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -63.67 -43.76 95.75 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.826 -1.171 . . . . 1.84 109.261 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.486 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . -61.37 -38.3 86.48 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 107.379 -1.341 . . . . 0.18 107.379 178.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -64.26 -40.86 96.86 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.987 -0.745 . . . . 1.97 108.987 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -68.35 -42.07 79.78 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.313 -0.867 . . . . 2.24 109.163 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 58' ' ' ALA . 22.7 mt -62.65 -35.74 80.62 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.126 -1.064 . . . . 0.26 108.126 178.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.553 ' NE2' ' OP1' ' C' ' 124' ' ' ' DG' . 51.1 tt0 -69.64 -41.98 74.89 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.228 -0.92 . . . . 0.94 109.627 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.82 -44.58 73.19 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.027 -1.046 . . . . 0.24 108.879 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.8 ttp -65.99 -37.92 87.18 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.286 -1.005 . . . . 1.55 108.286 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -62.63 -39.24 93.19 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.06 -1.089 . . . . 0.28 108.06 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -67.8 -27.51 66.79 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.615 -0.678 . . . . 3.11 109.642 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -72.34 -35.01 68.44 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.817 -1.177 . . . . 1.85 109.035 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -69.99 -42.54 72.93 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.267 -1.012 . . . . 1.85 108.267 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -128.68 78.38 76.09 Favored Pre-proline 0 N--CA 1.495 1.815 0 O-C-N 121.176 -0.953 . . . . 0.31 109.195 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -61.74 -16.43 48.72 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.773 2.315 . . . . 0.47 112.852 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -106.73 6.56 29.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.274 -0.891 . . . . 1.14 110.128 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -63.91 141.47 58.76 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.097 -1.002 . . . . 0.36 110.94 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -133.92 139.49 46.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.682 -0.636 . . . . 1.5 109.454 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.684 ' CZ ' ' NH1' ' A' ' 7' ' ' ARG . 18.6 t80 -78.68 117.39 19.78 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.25 -1.389 . . . . 0.56 107.25 177.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -130.17 85.54 56.81 Favored Pre-proline 0 C--N 1.301 -1.532 0 O-C-N 121.306 -0.871 . . . . 3.23 109.257 -178.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -67.71 151.68 78.68 Favored 'Trans proline' 0 N--CA 1.491 1.362 0 C-N-CA 122.082 1.855 . . . . 0.26 112.896 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -89.17 125.33 35.01 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.628 -0.829 . . . . 3.3 109.227 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.402 ' HE ' ' HB3' ' A' ' 78' ' ' ARG . 9.5 mmm180 -86.43 139.93 30.46 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.53 0.681 . . . . 2.03 109.693 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -92.65 164.64 13.33 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.679 -0.86 . . . . 2.03 108.679 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.24 110.2 3.4 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 118.082 -1.447 . . . . 0.84 108.265 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -139.19 122.81 17.41 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.213 -0.93 . . . . 2.52 109.899 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.7 ttt -132.35 115.02 15.07 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.595 -0.891 . . . . 3.5 108.595 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 56.6 mt -90.93 141.48 26.67 Favored Pre-proline 0 N--CA 1.489 1.523 0 O-C-N 121.059 -1.026 . . . . 2.93 109.602 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -64.27 153.91 73.98 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.313 2.009 . . . . 3.83 112.011 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 117.993 -1.003 . . . . 5.55 109.435 -179.698 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.877 0 O4'-C1'-C2' 108.208 1.916 . . . . 0.51 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.402 0 O5'-C5'-C4' 113.205 2.147 . . . . 0.45 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.299 0 O5'-C5'-C4' 113.539 2.385 . . . . 0.32 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.898 0 O5'-C5'-C4' 113.601 2.429 . . . . 0.26 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.607 1.37 0 O5'-C5'-C4' 113.589 2.42 . . . . 0.23 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.535 ' N3 ' ' OH ' ' A' ' 74' ' ' TYR . . . . . . . . 0 P--O5' 1.603 1.037 0 O4'-C4'-C3' 107.324 1.724 . . . . 0.26 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.206 0 O4'-C4'-C3' 107.728 2.128 . . . . 0.24 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.773 ' C2 ' HD11 ' A' ' 13' ' ' ILE . . . . . . . . 0 O4'--C4' 1.414 -2.934 0 O4'-C1'-N19 105.328 -3.09 . . . . 0.23 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.523 1.479 0 O4'-C4'-C3' 108.165 2.565 . . . . 0.2 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.52 1.129 0 O4'-C4'-C3' 108.104 2.504 . . . . 0.16 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.587 " O4'" ' ND2' ' A' ' 32' ' ' ASN . . . . . . . . 0 C3'--C2' 1.537 1.944 0 O4'-C4'-C3' 107.941 2.341 . . . . 0.14 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.405 0 O4'-C1'-C2' 107.987 1.716 . . . . 0.18 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.925 0 O4'-C4'-C3' 107.761 2.161 . . . . 0.25 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.936 0 O4'-C4'-C3' 108.305 2.705 . . . . 0.41 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 115' ' ' ' DG' . . . . . 0.786 HO5' ' H8 ' ' C' ' 115' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.525 1.702 0 O4'-C1'-C2' 108.811 2.465 . . . . 0.37 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.139 0 O5'-C5'-C4' 112.852 1.894 . . . . 0.38 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.862 0 O4'-C4'-C3' 107.808 2.208 . . . . 0.33 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.717 0 O4'-C4'-C3' 108.015 2.415 . . . . 0.25 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.374 0 O5'-C5'-C4' 113.888 2.634 . . . . 0.17 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.08 0 O5'-C5'-C4' 114.611 3.151 . . . . 0.17 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.41 " H4'" ' CD1' ' A' ' 43' ' ' TRP . . . . . . . . 0 P--O5' 1.611 1.84 0 C4'-C3'-C2' 105.93 2.73 . . . . 0.17 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.46 ' P ' ' HE1' ' A' ' 43' ' ' TRP . . . . . . . . 0 P--O5' 1.612 1.916 0 C4'-C3'-C2' 104.969 1.769 . . . . 0.18 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . 0.416 ' O2 ' ' NH2' ' A' ' 7' ' ' ARG . . . . . . . . 0 C5'--C4' 1.526 1.937 0 O4'-C4'-C3' 108.368 2.768 . . . . 0.17 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 124' ' ' ' DG' . . . . . 0.553 ' OP1' ' NE2' ' A' ' 62' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O4'-C4'-C3' 107.698 2.098 . . . . 0.21 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 125' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.604 1.079 0 C4'-C3'-C2' 105.753 2.553 . . . . 0.22 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.291 0 O4'-C4'-C3' 107.53 1.93 . . . . 0.29 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.523 1.509 0 O4'-C4'-C3' 107.708 2.108 . . . . 0.4 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.617 0 O4'-C4'-C3' 107.838 2.238 . . . . 0.56 . . . . . . . . . . 0 0 . 1 stop_ save_