data_1j47_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 1j47 _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 . . . . . . . . . . . . . 2.8 mtt . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.401 0.619 . . . . 4.5599999999999996 109.539 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -109.15 136.56 48.43 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.362 -0.836 . . . . 4.1500000000000004 109.914 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -98.53 117.52 33.15 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 107.776 -1.194 . . . . 1.27 107.776 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -89.37 146.46 24.67 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.975 -1.078 . . . . 3.5600000000000001 109.103 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.4 t -96.34 131.61 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 CA-C-O 121.733 0.778 . . . . 1.1599999999999999 110.376 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -92.25 145.42 24.51 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 119.932 -0.707 . . . . 2.5099999999999998 109.131 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.748 HH12 ' HH ' ' A' ' 74' ' ' TYR . 40.9 mtp180 -65.21 147.39 98.6 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.384 -0.823 . . . . 3.0600000000000001 110.69 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -62.04 141.99 90.91 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.08 1.853 . . . . 0.89000000000000001 110.283 177.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.4 pt -85.06 145.65 7.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 O-C-N 121.414 -0.803 . . . . 1.0800000000000001 110.103 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.64 ' ND2' ' N3 ' ' C' ' 122' ' ' ' DG' . 80.0 m-20 -81.0 -179.49 7.37 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 122.41 1.1 . . . . 0.51000000000000001 112.444 -176.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.07 -14.94 27.36 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 115.22 -0.9 . . . . 1.05 112.672 -178.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.429 ' O ' ' OG ' ' A' ' 16' ' ' SER . 54.2 t80 -82.74 -42.79 17.56 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.083 -1.635 . . . . 0.34999999999999998 110.3 -178.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.8 mm -69.73 -45.7 76.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 C-N-CA 118.911 -1.116 . . . . 1.0700000000000001 108.825 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.2 t -50.43 -51.38 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 107.729 -1.211 . . . . 1.05 107.729 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 39.9 t90 -64.11 -44.35 92.53 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 121.357 0.599 . . . . 0.41999999999999998 110.091 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.462 ' O ' ' CB ' ' A' ' 20' ' ' ARG . 10.7 m -70.66 -31.47 68.39 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.547 -0.721 . . . . 1.78 112.336 -177.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -63.58 -39.7 95.07 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 119.681 -1.887 . . . . 2.9900000000000002 108.905 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -77.76 -44.2 28.43 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.696 0.76 . . . . 0.17000000000000001 109.568 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -72.21 -32.12 66.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.709 -0.619 . . . . 1.98 110.12 -178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 16' ' ' SER . 32.1 ttm-85 -63.48 -45.86 88.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.258 -0.901 . . . . 2.3900000000000001 109.733 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -61.56 -45.3 94.74 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.794 -1.191 . . . . 2.6699999999999999 109.714 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -61.62 -40.53 95.18 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.156 -0.965 . . . . 2.4700000000000002 109.812 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.493 ' SD ' ' ND2' ' A' ' 27' ' ' ASN . 28.1 tpp -67.35 -27.38 67.08 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 119.172 -1.011 . . . . 1.3899999999999999 108.728 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.28 -33.46 37.73 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.165 -0.959 . . . . 1.04 108.944 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.6 mt -73.13 -38.49 66.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.157 -0.964 . . . . 1.05 108.855 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.479 ' C ' ' OD1' ' A' ' 27' ' ' ASN . 91.5 mt-10 -86.02 -24.87 26.24 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.47 -0.769 . . . . 1.9099999999999999 109.665 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.493 ' ND2' ' SD ' ' A' ' 23' ' ' MET . 0.5 OUTLIER -127.93 67.11 73.23 Favored Pre-proline 0 N--CA 1.496 1.834 0 N-CA-C 108.707 -0.849 . . . . 1.04 108.707 178.609 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -65.36 -8.19 18.1 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.314 2.009 . . . . 0.64000000000000001 112.165 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.13 -14.72 17.64 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.147 -0.971 . . . . 4.1299999999999999 108.937 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.8 tpp -80.47 134.74 36.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.247 -0.908 . . . . 1.0900000000000001 110.04 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -81.75 155.05 25.67 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.715 0.769 . . . . 2.7999999999999998 109.901 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.618 ' ND2' " O4'" ' B' ' 111' ' ' ' DC' . 3.1 m120 -57.33 -37.39 72.46 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 119.321 -0.952 . . . . 0.12 110.822 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.2 m -65.01 -30.82 71.83 Favored 'General case' 0 N--CA 1.485 1.28 0 O-C-N 120.601 -1.312 . . . . 0.51000000000000001 110.717 -177.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -80.91 -38.0 28.66 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.944 -1.132 . . . . 2.04 107.944 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.84 -44.69 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.332 -0.855 . . . . 1.03 108.925 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.4 m -53.95 -43.58 69.99 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-O 121.864 0.84 . . . . 0.68999999999999995 108.875 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -63.94 -40.71 97.08 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.912 -0.493 . . . . 2.1000000000000001 110.017 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -71.72 -38.9 70.43 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.838 -1.164 . . . . 2.7000000000000002 109.249 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.8 -43.31 99.14 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.116 -0.99 . . . . 1.04 109.6 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.88 -40.29 98.1 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 108.319 -1.913 . . . . 0.20000000000000001 108.319 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -64.11 -47.33 80.41 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.522 -0.987 . . . . 0.98999999999999999 109.767 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -68.52 -39.31 81.23 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.243 -0.91 . . . . 2.2200000000000002 110.479 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.404 ' CE3' HD12 ' A' ' 46' ' ' LEU . 68.5 t-105 -63.67 -34.43 77.84 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.354 -0.841 . . . . 0.37 110.277 -178.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -75.25 -9.76 58.84 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.538 -1.351 . . . . 2.1499999999999999 109.264 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.5 mmt -95.02 -6.01 43.21 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.403 -0.811 . . . . 2.5600000000000001 109.682 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.404 HD12 ' CE3' ' A' ' 43' ' ' TRP . 86.2 mt -77.36 141.93 39.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.436 -0.79 . . . . 1.0700000000000001 109.503 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.562 ' HG1' ' H ' ' A' ' 50' ' ' GLU . 26.0 p -83.47 160.83 21.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.657 -0.652 . . . . 1.1000000000000001 110.33 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -56.38 -41.61 76.5 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.566 -0.709 . . . . 1.8799999999999999 109.448 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.22 93.62 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.255 -0.903 . . . . 1.0800000000000001 109.419 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.562 ' H ' ' HG1' ' A' ' 47' ' ' THR . 64.9 mm-40 -70.34 -38.84 74.93 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.455 -0.778 . . . . 2.1000000000000001 108.915 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -79.61 -25.76 41.39 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.317 -0.864 . . . . 1.1000000000000001 110.516 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.445 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 45.1 t-105 -46.24 -56.17 11.58 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 120.686 -1.259 . . . . 1.27 110.754 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 52' ' ' TRP . 6.2 Cg_endo -50.73 -39.76 56.92 Favored 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 121.359 1.373 . . . . 0.66000000000000003 111.551 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -72.81 -25.11 61.02 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.986 -1.071 . . . . 0.29999999999999999 109.19 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -76.78 -40.47 48.09 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.106 -1.072 . . . . 1.24 108.106 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -64.14 -45.24 89.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.651 -0.656 . . . . 2.6200000000000001 110.421 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -65.35 -43.13 91.83 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.088 -1.007 . . . . 1.8700000000000001 110.535 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.59 -35.45 79.56 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 120.727 -1.233 . . . . 1.05 108.383 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -65.73 -36.08 82.56 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 118.958 -1.097 . . . . 2.4399999999999999 108.538 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -64.2 -41.33 97.12 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.928 -1.107 . . . . 2.7599999999999998 108.305 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 73.3 mt -61.1 -38.57 86.79 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.856 -1.165 . . . . 1.0600000000000001 107.856 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.464 ' NE2' ' OP1' ' C' ' 124' ' ' ' DG' . 50.8 tt0 -67.68 -37.35 82.22 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.382 -0.823 . . . . 1.1699999999999999 110.034 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.21 -43.31 61.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.95 -1.094 . . . . 1.05 108.416 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 52.7 ttm -61.6 -38.5 87.8 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.054 -1.029 . . . . 1.8700000000000001 108.44 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -67.01 -40.77 87.39 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 107.518 -1.29 . . . . 0.37 107.518 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -63.41 -35.7 81.29 Favored 'General case' 0 C--N 1.308 -1.234 0 O-C-N 121.618 -0.676 . . . . 3.77 109.411 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -67.54 -30.1 69.66 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 118.716 -1.194 . . . . 1.79 109.094 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -75.87 -42.13 50.2 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.516 -0.92 . . . . 2.3500000000000001 108.516 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -132.87 78.34 66.29 Favored Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.264 -0.897 . . . . 1.03 108.931 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -64.73 -20.87 65.24 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.972 2.448 . . . . 0.96999999999999997 113.185 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.48 ' O ' ' OD1' ' A' ' 71' ' ' ASN . 20.4 t-20 -104.54 15.25 28.46 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.109 -0.994 . . . . 1.8500000000000001 109.848 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -70.43 151.13 45.5 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.151 -0.968 . . . . 0.93999999999999995 111.292 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -136.9 138.16 40.39 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.935 -0.765 . . . . 1.97 108.935 176.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.748 ' HH ' HH12 ' A' ' 7' ' ' ARG . 11.4 t80 -81.34 117.24 21.65 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.974 -1.121 . . . . 1.54 107.974 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -122.61 93.47 48.41 Favored Pre-proline 0 N--CA 1.495 1.776 0 O-C-N 121.559 -0.713 . . . . 3.8999999999999999 109.335 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -75.97 151.54 35.4 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 C-N-CA 122.164 1.909 . . . . 0.34999999999999998 112.847 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.5 ttm-85 -83.92 106.53 15.67 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.619 -0.882 . . . . 4.0499999999999998 108.619 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.0 mmm-85 -83.68 155.01 23.36 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.419 -0.801 . . . . 2.79 109.404 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -82.67 143.79 30.71 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.593 -0.692 . . . . 2.3300000000000001 109.26 -179.05 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 79' ' ' LYS . . . -46.23 93.48 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 107.677 -1.231 . . . . 1.3200000000000001 107.677 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.599 ' N ' ' O ' ' A' ' 79' ' ' LYS . 8.6 ttmt -114.61 110.28 19.54 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.173 -0.954 . . . . 2.25 110.931 -177.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.8 ttt -132.72 102.37 5.65 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 107.471 -1.307 . . . . 3.3799999999999999 107.471 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.6 mt -93.7 130.67 34.24 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.2 -0.937 . . . . 4.1100000000000003 111.343 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -76.76 152.74 33.07 Favored 'Trans proline' 0 N--CA 1.491 1.344 0 C-N-CA 122.389 2.06 . . . . 3.7200000000000002 111.124 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.444 ' HZ2' ' CB ' ' A' ' 85' ' ' LYS . 1.3 mtpp . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 117.991 -1.004 . . . . 7.04 109.65 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.698 0 C4'-C3'-C2' 105.068 1.868 . . . . 0.91000000000000003 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.328 0 O5'-C5'-C4' 113.08 2.057 . . . . 0.34999999999999998 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.905 0 O5'-C5'-C4' 113.246 2.176 . . . . 1.0600000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.001 0 O5'-C5'-C4' 113.613 2.438 . . . . 0.22 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.666 0 C4'-C3'-C2' 105.637 2.437 . . . . 0.26000000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.482 ' OP1' ' CG ' ' A' ' 79' ' ' LYS . . . . . . . . 0 O4'--C4' 1.434 -1.076 0 O4'-C4'-C3' 107.681 2.081 . . . . 0.31 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ' DC' . . . . . 0.42 " H4'" HH11 ' A' ' 7' ' ' ARG . . . . . . . . 0 C5'--C4' 1.524 1.626 0 O4'-C4'-C3' 107.8 2.2 . . . . 0.23999999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.984 0 O4'-C1'-N19 105.569 -2.789 . . . . 0.29999999999999999 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.523 1.466 0 O4'-C4'-C3' 108.223 2.623 . . . . 0.23000000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.826 0 O4'-C4'-C3' 108.615 3.015 . . . . 0.16 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ' DC' . . . . . 0.618 " O4'" ' ND2' ' A' ' 32' ' ' ASN . . . . . . . . 0 O4'--C4' 1.431 -1.383 0 O4'-C4'-C3' 107.905 2.305 . . . . 0.14999999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.45 0 O4'-C1'-C2' 108.269 1.972 . . . . 0.25 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.231 0 O4'-C4'-C3' 107.757 2.157 . . . . 0.34000000000000002 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.12 0 O4'-C4'-C3' 108.294 2.694 . . . . 1.0700000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.768 0 O4'-C1'-C2' 108.611 2.283 . . . . 0.93000000000000005 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.576 0 O4'-C4'-C3' 107.528 1.928 . . . . 0.40000000000000002 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.649 0 O4'-C4'-C3' 107.988 2.388 . . . . 1.0800000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.178 0 O4'-C4'-C3' 108.331 2.731 . . . . 0.28000000000000003 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.648 0 C1'-O4'-C4' 106.822 -2.056 . . . . 0.95999999999999996 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.302 0 O5'-C5'-C4' 113.208 2.149 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.761 0 C4'-C3'-C2' 105.961 2.761 . . . . 0.93999999999999995 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' ' DG' . . . . . 0.64 ' N3 ' ' ND2' ' A' ' 10' ' ' ASN . . . . . . . . 0 C5'--C4' 1.531 2.503 0 O5'-C5'-C4' 113.286 2.204 . . . . 0.20999999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.661 0 O4'-C4'-C3' 108.035 2.435 . . . . 1.05 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 124' ' ' ' DG' . . . . . 0.464 ' OP1' ' NE2' ' A' ' 62' ' ' GLN . . . . . . . . 0 P--O5' 1.603 0.993 0 O4'-C4'-C3' 107.81 2.21 . . . . 0.17999999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 125' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.519 0.949 0 O4'-C4'-C3' 107.629 2.029 . . . . 0.23000000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 126' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.293 0 O4'-C4'-C3' 107.697 2.097 . . . . 0.28000000000000003 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.522 1.386 0 O4'-C4'-C3' 107.731 2.131 . . . . 0.42999999999999999 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.498 0 O4'-C4'-C3' 107.85 2.25 . . . . 1.0800000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mtt . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.401 0.619 . . . . 4.17 109.539 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -109.15 136.56 48.43 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.362 -0.836 . . . . 3.52 109.914 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -98.53 117.52 33.15 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 107.776 -1.194 . . . . 1.27 107.776 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 4' ' ' ARG . 30.4 ttt180 -89.37 146.46 24.67 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.975 -1.078 . . . . 3.05 109.103 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.4 t -96.34 131.61 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 CA-C-O 121.733 0.778 . . . . 0.49 110.376 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -92.25 145.42 24.51 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 119.932 -0.707 . . . . 2.03 109.131 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.698 ' NH1' ' CE1' ' A' ' 74' ' ' TYR . 40.9 mtp180 -65.21 147.39 98.6 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.384 -0.823 . . . . 2.52 110.69 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -62.04 141.99 90.91 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.08 1.853 . . . . 0.52 110.283 177.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.4 pt -85.06 145.65 7.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 O-C-N 121.414 -0.803 . . . . 0.29 110.103 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.64 ' ND2' ' N3 ' ' C' ' 122' ' ' ' DG' . 80.0 m-20 -81.0 -179.49 7.37 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 122.41 1.1 . . . . 0.39 112.444 -176.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.07 -14.94 27.36 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 115.22 -0.9 . . . . 0.27 112.672 -178.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -82.74 -42.79 17.56 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.083 -1.635 . . . . 0.28 110.3 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.408 HD12 ' N3 ' ' B' ' 109' ' ' ' DA' . 40.8 mm -69.73 -45.7 76.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 C-N-CA 118.911 -1.116 . . . . 0.3 108.825 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 10' ' ' ASN . 42.2 t -50.43 -51.38 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 107.729 -1.211 . . . . 0.21 107.729 178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 39.9 t90 -64.11 -44.35 92.53 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 121.357 0.599 . . . . 0.37 110.091 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.462 ' O ' ' CB ' ' A' ' 20' ' ' ARG . 10.7 m -70.66 -31.47 68.39 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.547 -0.721 . . . . 1.23 112.336 -177.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -63.58 -39.7 95.07 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 119.681 -1.887 . . . . 2.53 108.905 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -77.76 -44.2 28.43 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.696 0.76 . . . . 0.17 109.568 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -72.21 -32.12 66.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.709 -0.619 . . . . 1.39 110.12 -178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 16' ' ' SER . 32.1 ttm-85 -63.48 -45.86 88.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.258 -0.901 . . . . 1.71 109.733 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -61.56 -45.3 94.74 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.794 -1.191 . . . . 1.91 109.714 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -61.62 -40.53 95.18 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.156 -0.965 . . . . 1.97 109.812 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.493 ' SD ' ' ND2' ' A' ' 27' ' ' ASN . 28.1 tpp -67.35 -27.38 67.08 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 119.172 -1.011 . . . . 0.96 108.728 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.28 -33.46 37.73 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.165 -0.959 . . . . 0.17 108.944 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 25' ' ' LEU . 94.6 mt -73.13 -38.49 66.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.157 -0.964 . . . . 0.2 108.855 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.479 ' C ' ' OD1' ' A' ' 27' ' ' ASN . 91.5 mt-10 -86.02 -24.87 26.24 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.47 -0.769 . . . . 1.91 109.665 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.493 ' ND2' ' SD ' ' A' ' 23' ' ' MET . 0.5 OUTLIER -127.93 67.11 73.23 Favored Pre-proline 0 N--CA 1.496 1.834 0 N-CA-C 108.707 -0.849 . . . . 0.64 108.707 178.609 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -65.36 -8.19 18.1 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.314 2.009 . . . . 0.31 112.165 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.13 -14.72 17.64 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.147 -0.971 . . . . 3.47 108.937 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.8 tpp -80.47 134.74 36.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.247 -0.908 . . . . 0.31 110.04 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -81.75 155.05 25.67 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.715 0.769 . . . . 2.02 109.901 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.618 ' ND2' " O4'" ' B' ' 111' ' ' ' DC' . 3.1 m120 -57.33 -37.39 72.46 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 119.321 -0.952 . . . . 0.11 110.822 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.2 m -65.01 -30.82 71.83 Favored 'General case' 0 N--CA 1.485 1.28 0 O-C-N 120.601 -1.312 . . . . 0.24 110.717 -177.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -80.91 -38.0 28.66 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.944 -1.132 . . . . 2.04 107.944 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.84 -44.69 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.332 -0.855 . . . . 0.13 108.925 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.4 m -53.95 -43.58 69.99 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-O 121.864 0.84 . . . . 0.15 108.875 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -63.94 -40.71 97.08 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.912 -0.493 . . . . 1.57 110.017 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -71.72 -38.9 70.43 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.838 -1.164 . . . . 2.06 109.249 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 39' ' ' LEU . 93.2 mt -62.8 -43.31 99.14 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.116 -0.99 . . . . 0.18 109.6 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.88 -40.29 98.1 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 108.319 -1.913 . . . . 0.2 108.319 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -64.11 -47.33 80.41 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.522 -0.987 . . . . 0.35 109.767 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -68.52 -39.31 81.23 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.243 -0.91 . . . . 2.03 110.479 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.414 ' CE3' HD12 ' A' ' 46' ' ' LEU . 68.5 t-105 -63.67 -34.43 77.84 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.354 -0.841 . . . . 0.3 110.277 -178.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -75.25 -9.76 58.84 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.538 -1.351 . . . . 1.59 109.264 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.5 mmt -95.02 -6.01 43.21 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.403 -0.811 . . . . 2.05 109.682 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.414 HD12 ' CE3' ' A' ' 43' ' ' TRP . 86.2 mt -77.36 141.93 39.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.436 -0.79 . . . . 0.27 109.503 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.0 p -83.47 160.83 21.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.657 -0.652 . . . . 0.35 110.33 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -56.38 -41.61 76.5 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.566 -0.709 . . . . 1.88 109.448 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.22 93.62 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.255 -0.903 . . . . 0.33 109.419 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -70.34 -38.84 74.93 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.455 -0.778 . . . . 2.1 108.915 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -79.61 -25.76 41.39 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.317 -0.864 . . . . 0.38 110.516 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.46 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 45.1 t-105 -46.24 -56.17 11.58 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 120.686 -1.259 . . . . 1.08 110.754 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 52' ' ' TRP . 6.2 Cg_endo -50.73 -39.76 56.92 Favored 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 121.359 1.373 . . . . 0.37 111.551 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -72.81 -25.11 61.02 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.986 -1.071 . . . . 0.27 109.19 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -76.78 -40.47 48.09 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.106 -1.072 . . . . 0.75 108.106 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -64.14 -45.24 89.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.651 -0.656 . . . . 1.98 110.421 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -65.35 -43.13 91.83 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.088 -1.007 . . . . 1.87 110.535 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.414 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . -62.59 -35.45 79.56 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 120.727 -1.233 . . . . 0.22 108.383 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -65.73 -36.08 82.56 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 118.958 -1.097 . . . . 1.83 108.538 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -64.2 -41.33 97.12 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.928 -1.107 . . . . 2.31 108.305 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 58' ' ' ALA . 73.3 mt -61.1 -38.57 86.79 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.856 -1.165 . . . . 0.24 107.856 177.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.464 ' NE2' ' OP1' ' C' ' 124' ' ' ' DG' . 50.8 tt0 -67.68 -37.35 82.22 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.382 -0.823 . . . . 0.75 110.034 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.21 -43.31 61.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.95 -1.094 . . . . 0.22 108.416 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 52.7 ttm -61.6 -38.5 87.8 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.054 -1.029 . . . . 1.54 108.44 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -67.01 -40.77 87.39 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 107.518 -1.29 . . . . 0.31 107.518 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -63.41 -35.7 81.29 Favored 'General case' 0 C--N 1.308 -1.234 0 O-C-N 121.618 -0.676 . . . . 3.11 109.411 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -67.54 -30.1 69.66 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 118.716 -1.194 . . . . 1.79 109.094 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -75.87 -42.13 50.2 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.516 -0.92 . . . . 1.8 108.516 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -132.87 78.34 66.29 Favored Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.264 -0.897 . . . . 0.59 108.931 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -64.73 -20.87 65.24 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.972 2.448 . . . . 0.6 113.185 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.63 ' ND2' ' O ' ' A' ' 71' ' ' ASN . 1.5 t30 -104.54 15.25 28.46 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.109 -0.994 . . . . 1.18 109.848 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -70.43 151.13 45.5 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.151 -0.968 . . . . 0.36 111.292 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -136.9 138.16 40.39 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.935 -0.765 . . . . 1.45 108.935 176.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.698 ' CE1' ' NH1' ' A' ' 7' ' ' ARG . 11.4 t80 -81.34 117.24 21.65 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.974 -1.121 . . . . 1.17 107.974 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -122.61 93.47 48.41 Favored Pre-proline 0 N--CA 1.495 1.776 0 O-C-N 121.559 -0.713 . . . . 3.29 109.335 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -75.97 151.54 35.4 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 C-N-CA 122.164 1.909 . . . . 0.34 112.847 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.5 ttm-85 -83.92 106.53 15.67 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.619 -0.882 . . . . 3.4 108.619 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.0 mmm-85 -83.68 155.01 23.36 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.419 -0.801 . . . . 2.03 109.404 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -82.67 143.79 30.71 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.593 -0.692 . . . . 1.81 109.26 -179.05 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 79' ' ' LYS . . . -46.23 93.48 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 107.677 -1.231 . . . . 0.77 107.677 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.599 ' N ' ' O ' ' A' ' 79' ' ' LYS . 8.6 ttmt -114.61 110.28 19.54 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.173 -0.954 . . . . 1.7 110.931 -177.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.8 ttt -132.72 102.37 5.65 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 107.471 -1.307 . . . . 3.01 107.471 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.6 mt -93.7 130.67 34.24 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.2 -0.937 . . . . 3.72 111.343 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -76.76 152.74 33.07 Favored 'Trans proline' 0 N--CA 1.491 1.344 0 C-N-CA 122.389 2.06 . . . . 3.24 111.124 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.526 ' HB3' ' HZ2' ' A' ' 85' ' ' LYS . 1.3 mtpp . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 117.991 -1.004 . . . . 6.77 109.65 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.698 0 C4'-C3'-C2' 105.068 1.868 . . . . 0.46 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.328 0 O5'-C5'-C4' 113.08 2.057 . . . . 0.35 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.905 0 O5'-C5'-C4' 113.246 2.176 . . . . 0.25 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.001 0 O5'-C5'-C4' 113.613 2.438 . . . . 0.22 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.666 0 C4'-C3'-C2' 105.637 2.437 . . . . 0.26 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.482 ' OP1' ' CG ' ' A' ' 79' ' ' LYS . . . . . . . . 0 O4'--C4' 1.434 -1.076 0 O4'-C4'-C3' 107.681 2.081 . . . . 0.31 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.626 0 O4'-C4'-C3' 107.8 2.2 . . . . 0.24 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.984 0 O4'-C1'-N19 105.569 -2.789 . . . . 0.3 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.408 ' N3 ' HD12 ' A' ' 13' ' ' ILE . . . . . . . . 0 C5'--C4' 1.523 1.466 0 O4'-C4'-C3' 108.223 2.623 . . . . 0.23 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.826 0 O4'-C4'-C3' 108.615 3.015 . . . . 0.16 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ' DC' . . . . . 0.618 " O4'" ' ND2' ' A' ' 32' ' ' ASN . . . . . . . . 0 O4'--C4' 1.431 -1.383 0 O4'-C4'-C3' 107.905 2.305 . . . . 0.15 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.45 0 O4'-C1'-C2' 108.269 1.972 . . . . 0.24 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.231 0 O4'-C4'-C3' 107.757 2.157 . . . . 0.32 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.12 0 O4'-C4'-C3' 108.294 2.694 . . . . 0.52 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.768 0 O4'-C1'-C2' 108.611 2.283 . . . . 0.42 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.576 0 O4'-C4'-C3' 107.528 1.928 . . . . 0.39 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.649 0 O4'-C4'-C3' 107.988 2.388 . . . . 0.37 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 118' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.178 0 O4'-C4'-C3' 108.331 2.731 . . . . 0.28 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.648 0 C1'-O4'-C4' 106.822 -2.056 . . . . 0.21 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 120' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.302 0 O5'-C5'-C4' 113.208 2.149 . . . . 0.2 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.761 0 C4'-C3'-C2' 105.961 2.761 . . . . 0.18 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 122' ' ' ' DG' . . . . . 0.64 ' N3 ' ' ND2' ' A' ' 10' ' ' ASN . . . . . . . . 0 C5'--C4' 1.531 2.503 0 O5'-C5'-C4' 113.286 2.204 . . . . 0.2 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.661 0 O4'-C4'-C3' 108.035 2.435 . . . . 0.21 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 124' ' ' ' DG' . . . . . 0.464 ' OP1' ' NE2' ' A' ' 62' ' ' GLN . . . . . . . . 0 P--O5' 1.603 0.993 0 O4'-C4'-C3' 107.81 2.21 . . . . 0.18 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 125' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.519 0.949 0 O4'-C4'-C3' 107.629 2.029 . . . . 0.23 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 126' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.293 0 O4'-C4'-C3' 107.697 2.097 . . . . 0.28 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.522 1.386 0 O4'-C4'-C3' 107.731 2.131 . . . . 0.43 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.498 0 O4'-C4'-C3' 107.85 2.25 . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mtt . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.401 0.619 . . . . 4.17 109.539 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -109.15 136.56 48.43 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.362 -0.836 . . . . 3.52 109.914 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -98.53 117.52 33.15 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 107.776 -1.194 . . . . 1.27 107.776 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 4' ' ' ARG . 30.4 ttt180 -89.37 146.46 24.67 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.975 -1.078 . . . . 3.05 109.103 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.4 t -96.34 131.61 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 CA-C-O 121.733 0.778 . . . . 0.49 110.376 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -92.25 145.42 24.51 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 119.932 -0.707 . . . . 2.03 109.131 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.698 ' NH1' ' CE1' ' A' ' 74' ' ' TYR . 40.9 mtp180 -65.21 147.39 98.6 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.384 -0.823 . . . . 2.52 110.69 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -62.04 141.99 90.91 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.08 1.853 . . . . 0.52 110.283 177.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.4 pt -85.06 145.65 7.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 O-C-N 121.414 -0.803 . . . . 0.29 110.103 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.64 ' ND2' ' N3 ' ' C' ' 122' ' ' ' DG' . 80.0 m-20 -81.0 -179.49 7.37 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 122.41 1.1 . . . . 0.39 112.444 -176.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.07 -14.94 27.36 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 115.22 -0.9 . . . . 0.27 112.672 -178.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -82.74 -42.79 17.56 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.083 -1.635 . . . . 0.28 110.3 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.408 HD12 ' N3 ' ' B' ' 109' ' ' ' DA' . 40.8 mm -69.73 -45.7 76.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 C-N-CA 118.911 -1.116 . . . . 0.3 108.825 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 10' ' ' ASN . 42.2 t -50.43 -51.38 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 107.729 -1.211 . . . . 0.21 107.729 178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 39.9 t90 -64.11 -44.35 92.53 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 121.357 0.599 . . . . 0.37 110.091 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.462 ' O ' ' CB ' ' A' ' 20' ' ' ARG . 10.7 m -70.66 -31.47 68.39 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.547 -0.721 . . . . 1.23 112.336 -177.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -63.58 -39.7 95.07 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 119.681 -1.887 . . . . 2.53 108.905 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -77.76 -44.2 28.43 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.696 0.76 . . . . 0.17 109.568 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -72.21 -32.12 66.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.709 -0.619 . . . . 1.39 110.12 -178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 16' ' ' SER . 32.1 ttm-85 -63.48 -45.86 88.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.258 -0.901 . . . . 1.71 109.733 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -61.56 -45.3 94.74 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.794 -1.191 . . . . 1.91 109.714 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -61.62 -40.53 95.18 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.156 -0.965 . . . . 1.97 109.812 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.493 ' SD ' ' ND2' ' A' ' 27' ' ' ASN . 28.1 tpp -67.35 -27.38 67.08 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 119.172 -1.011 . . . . 0.96 108.728 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.28 -33.46 37.73 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.165 -0.959 . . . . 0.17 108.944 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 25' ' ' LEU . 94.6 mt -73.13 -38.49 66.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.157 -0.964 . . . . 0.2 108.855 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.479 ' C ' ' OD1' ' A' ' 27' ' ' ASN . 91.5 mt-10 -86.02 -24.87 26.24 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.47 -0.769 . . . . 1.91 109.665 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.493 ' ND2' ' SD ' ' A' ' 23' ' ' MET . 0.5 OUTLIER -127.93 67.11 73.23 Favored Pre-proline 0 N--CA 1.496 1.834 0 N-CA-C 108.707 -0.849 . . . . 0.64 108.707 178.609 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -65.36 -8.19 18.1 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.314 2.009 . . . . 0.31 112.165 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.13 -14.72 17.64 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.147 -0.971 . . . . 3.47 108.937 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.8 tpp -80.47 134.74 36.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.247 -0.908 . . . . 0.31 110.04 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -81.75 155.05 25.67 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.715 0.769 . . . . 2.02 109.901 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.618 ' ND2' " O4'" ' B' ' 111' ' ' ' DC' . 3.1 m120 -57.33 -37.39 72.46 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 119.321 -0.952 . . . . 0.11 110.822 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.2 m -65.01 -30.82 71.83 Favored 'General case' 0 N--CA 1.485 1.28 0 O-C-N 120.601 -1.312 . . . . 0.24 110.717 -177.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -80.91 -38.0 28.66 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.944 -1.132 . . . . 2.04 107.944 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.84 -44.69 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.332 -0.855 . . . . 0.13 108.925 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.4 m -53.95 -43.58 69.99 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-O 121.864 0.84 . . . . 0.15 108.875 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -63.94 -40.71 97.08 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.912 -0.493 . . . . 1.57 110.017 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -71.72 -38.9 70.43 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.838 -1.164 . . . . 2.06 109.249 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 39' ' ' LEU . 93.2 mt -62.8 -43.31 99.14 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.116 -0.99 . . . . 0.18 109.6 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.88 -40.29 98.1 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 108.319 -1.913 . . . . 0.2 108.319 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -64.11 -47.33 80.41 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.522 -0.987 . . . . 0.35 109.767 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -68.52 -39.31 81.23 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.243 -0.91 . . . . 2.03 110.479 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.414 ' CE3' HD12 ' A' ' 46' ' ' LEU . 68.5 t-105 -63.67 -34.43 77.84 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.354 -0.841 . . . . 0.3 110.277 -178.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -75.25 -9.76 58.84 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.538 -1.351 . . . . 1.59 109.264 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.5 mmt -95.02 -6.01 43.21 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.403 -0.811 . . . . 2.05 109.682 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.414 HD12 ' CE3' ' A' ' 43' ' ' TRP . 86.2 mt -77.36 141.93 39.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.436 -0.79 . . . . 0.27 109.503 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.0 p -83.47 160.83 21.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.657 -0.652 . . . . 0.35 110.33 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -56.38 -41.61 76.5 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.566 -0.709 . . . . 1.88 109.448 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.22 93.62 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.255 -0.903 . . . . 0.33 109.419 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -70.34 -38.84 74.93 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.455 -0.778 . . . . 2.1 108.915 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -79.61 -25.76 41.39 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.317 -0.864 . . . . 0.38 110.516 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.46 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 45.1 t-105 -46.24 -56.17 11.58 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 120.686 -1.259 . . . . 1.08 110.754 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 52' ' ' TRP . 6.2 Cg_endo -50.73 -39.76 56.92 Favored 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 121.359 1.373 . . . . 0.37 111.551 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -72.81 -25.11 61.02 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.986 -1.071 . . . . 0.27 109.19 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -76.78 -40.47 48.09 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.106 -1.072 . . . . 0.75 108.106 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -64.14 -45.24 89.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.651 -0.656 . . . . 1.98 110.421 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -65.35 -43.13 91.83 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.088 -1.007 . . . . 1.87 110.535 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.414 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . -62.59 -35.45 79.56 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 120.727 -1.233 . . . . 0.22 108.383 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -65.73 -36.08 82.56 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 118.958 -1.097 . . . . 1.83 108.538 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -64.2 -41.33 97.12 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.928 -1.107 . . . . 2.31 108.305 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 58' ' ' ALA . 73.3 mt -61.1 -38.57 86.79 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.856 -1.165 . . . . 0.24 107.856 177.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.464 ' NE2' ' OP1' ' C' ' 124' ' ' ' DG' . 50.8 tt0 -67.68 -37.35 82.22 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.382 -0.823 . . . . 0.75 110.034 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.21 -43.31 61.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.95 -1.094 . . . . 0.22 108.416 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 52.7 ttm -61.6 -38.5 87.8 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.054 -1.029 . . . . 1.54 108.44 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -67.01 -40.77 87.39 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 107.518 -1.29 . . . . 0.31 107.518 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -63.41 -35.7 81.29 Favored 'General case' 0 C--N 1.308 -1.234 0 O-C-N 121.618 -0.676 . . . . 3.11 109.411 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -67.54 -30.1 69.66 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 118.716 -1.194 . . . . 1.79 109.094 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -75.87 -42.13 50.2 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.516 -0.92 . . . . 1.8 108.516 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -132.87 78.34 66.29 Favored Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.264 -0.897 . . . . 0.59 108.931 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -64.73 -20.87 65.24 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.972 2.448 . . . . 0.6 113.185 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.48 ' O ' ' OD1' ' A' ' 71' ' ' ASN . 20.4 t-20 -104.54 15.25 28.46 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.109 -0.994 . . . . 1.18 109.848 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -70.43 151.13 45.5 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.151 -0.968 . . . . 0.36 111.292 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -136.9 138.16 40.39 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.935 -0.765 . . . . 1.45 108.935 176.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.698 ' CE1' ' NH1' ' A' ' 7' ' ' ARG . 11.4 t80 -81.34 117.24 21.65 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.974 -1.121 . . . . 1.17 107.974 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -122.61 93.47 48.41 Favored Pre-proline 0 N--CA 1.495 1.776 0 O-C-N 121.559 -0.713 . . . . 3.29 109.335 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -75.97 151.54 35.4 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 C-N-CA 122.164 1.909 . . . . 0.34 112.847 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.5 ttm-85 -83.92 106.53 15.67 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.619 -0.882 . . . . 3.4 108.619 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.0 mmm-85 -83.68 155.01 23.36 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.419 -0.801 . . . . 2.03 109.404 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -82.67 143.79 30.71 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.593 -0.692 . . . . 1.81 109.26 -179.05 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 79' ' ' LYS . . . -46.23 93.48 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 107.677 -1.231 . . . . 0.77 107.677 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.599 ' N ' ' O ' ' A' ' 79' ' ' LYS . 8.6 ttmt -114.61 110.28 19.54 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.173 -0.954 . . . . 1.7 110.931 -177.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.8 ttt -132.72 102.37 5.65 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 107.471 -1.307 . . . . 3.01 107.471 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.6 mt -93.7 130.67 34.24 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.2 -0.937 . . . . 3.72 111.343 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -76.76 152.74 33.07 Favored 'Trans proline' 0 N--CA 1.491 1.344 0 C-N-CA 122.389 2.06 . . . . 3.24 111.124 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.526 ' HB3' ' HZ2' ' A' ' 85' ' ' LYS . 1.3 mtpp . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 117.991 -1.004 . . . . 6.77 109.65 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.698 0 C4'-C3'-C2' 105.068 1.868 . . . . 0.46 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.328 0 O5'-C5'-C4' 113.08 2.057 . . . . 0.35 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.905 0 O5'-C5'-C4' 113.246 2.176 . . . . 0.25 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.001 0 O5'-C5'-C4' 113.613 2.438 . . . . 0.22 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.666 0 C4'-C3'-C2' 105.637 2.437 . . . . 0.26 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.482 ' OP1' ' CG ' ' A' ' 79' ' ' LYS . . . . . . . . 0 O4'--C4' 1.434 -1.076 0 O4'-C4'-C3' 107.681 2.081 . . . . 0.31 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.626 0 O4'-C4'-C3' 107.8 2.2 . . . . 0.24 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.984 0 O4'-C1'-N19 105.569 -2.789 . . . . 0.3 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.408 ' N3 ' HD12 ' A' ' 13' ' ' ILE . . . . . . . . 0 C5'--C4' 1.523 1.466 0 O4'-C4'-C3' 108.223 2.623 . . . . 0.23 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.826 0 O4'-C4'-C3' 108.615 3.015 . . . . 0.16 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ' DC' . . . . . 0.618 " O4'" ' ND2' ' A' ' 32' ' ' ASN . . . . . . . . 0 O4'--C4' 1.431 -1.383 0 O4'-C4'-C3' 107.905 2.305 . . . . 0.15 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.45 0 O4'-C1'-C2' 108.269 1.972 . . . . 0.24 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.231 0 O4'-C4'-C3' 107.757 2.157 . . . . 0.32 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.12 0 O4'-C4'-C3' 108.294 2.694 . . . . 0.52 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.768 0 O4'-C1'-C2' 108.611 2.283 . . . . 0.42 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.576 0 O4'-C4'-C3' 107.528 1.928 . . . . 0.39 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.649 0 O4'-C4'-C3' 107.988 2.388 . . . . 0.37 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.178 0 O4'-C4'-C3' 108.331 2.731 . . . . 0.28 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.648 0 C1'-O4'-C4' 106.822 -2.056 . . . . 0.21 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.302 0 O5'-C5'-C4' 113.208 2.149 . . . . 0.2 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.761 0 C4'-C3'-C2' 105.961 2.761 . . . . 0.18 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' ' DG' . . . . . 0.64 ' N3 ' ' ND2' ' A' ' 10' ' ' ASN . . . . . . . . 0 C5'--C4' 1.531 2.503 0 O5'-C5'-C4' 113.286 2.204 . . . . 0.2 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.661 0 O4'-C4'-C3' 108.035 2.435 . . . . 0.21 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 124' ' ' ' DG' . . . . . 0.464 ' OP1' ' NE2' ' A' ' 62' ' ' GLN . . . . . . . . 0 P--O5' 1.603 0.993 0 O4'-C4'-C3' 107.81 2.21 . . . . 0.18 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 125' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.519 0.949 0 O4'-C4'-C3' 107.629 2.029 . . . . 0.23 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 126' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.293 0 O4'-C4'-C3' 107.697 2.097 . . . . 0.28 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.522 1.386 0 O4'-C4'-C3' 107.731 2.131 . . . . 0.43 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.498 0 O4'-C4'-C3' 107.85 2.25 . . . . 0.57 . . . . . . . . . . 0 0 . 1 stop_ save_