data_2gat_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 2gat _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.622 0 O4'-C1'-N19 110.581 3.476 . . . . 3.42 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.512 H2'' " O5'" ' B' ' 103' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.106 0 O4'-C1'-N19 110.726 3.658 . . . . 2.9 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . 0.562 H2'' " O5'" ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.198 0 O4'-C1'-N19 110.549 3.436 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . 0.565 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.746 0 O4'-C1'-N19 110.867 3.833 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.565 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.543 0 O4'-C1'-N19 110.85 3.812 . . . . 1.17 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.541 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.694 0 C3'-C2'-C1' 107.032 3.094 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.568 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.533 2.771 1 O4'-C1'-N19 112.073 5.341 . . . . 0.49 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.555 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.071 0 O4'-C1'-N19 110.713 3.641 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.565 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.06 0 O4'-C1'-N19 110.388 3.235 . . . . 1.11 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.565 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.618 0 O4'-C1'-N19 110.707 3.633 . . . . 0.45 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . 0.457 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.934 0 O4'-C1'-N19 110.485 3.356 . . . . 0.54 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.457 " O5'" H2'' ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.562 1 O4'-C1'-N19 111.7 4.874 . . . . 0.61 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.615 H2'' " O5'" ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.297 0 C3'-C2'-C1' 107.275 3.268 . . . . 0.81 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.615 " O5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.265 0 O4'-C1'-N19 110.724 3.655 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . 0.572 " O5'" H2'' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.114 0 O4'-C1'-N19 110.868 3.834 . . . . 1.62 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . 0.432 " O5'" H2'' ' B' ' 115' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.517 0 O4'-C1'-N19 110.581 3.476 . . . . 1.94 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.775 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.534 0 C3'-C2'-C1' 106.838 2.956 . . . . 2.33 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.541 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.797 0 O4'-C1'-N19 110.575 3.468 . . . . 1.61 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.508 " O5'" H2'' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.226 0 O4'-C1'-N19 110.931 3.913 . . . . 1.34 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.568 H2'' " O5'" ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.24 0 O4'-C1'-N19 110.996 3.995 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.568 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.0 1 O4'-C1'-N19 111.661 4.826 . . . . 1.2 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.491 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.532 2.637 0 O4'-C1'-N19 110.77 3.712 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . 0.454 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.254 1 O4'-C1'-N19 111.301 4.376 . . . . 1.07 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.475 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.178 0 O4'-C1'-N19 110.491 3.364 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.475 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.925 1 O4'-C1'-N19 111.519 4.649 . . . . 1.14 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.437 ' OP1' ' CZ ' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.539 3.543 0 O4'-C1'-N19 110.82 3.775 . . . . 0.42 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.189 0 O4'-C1'-N19 110.391 3.239 . . . . 1.11 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . 0.541 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.488 0 O4'-C1'-N19 110.764 3.706 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . 0.455 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.66 0 O4'-C1'-N19 110.487 3.358 . . . . 1.63 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.6 H2'' " O5'" ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.293 0 O4'-C1'-N19 110.716 3.645 . . . . 2.01 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . 0.601 H2'' " O5'" ' C' ' 132' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.26 0 O4'-C1'-N19 110.94 3.925 . . . . 2.49 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . 0.601 " O5'" H2'' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.153 0 O4'-C1'-N19 110.942 3.928 . . . . 3.33 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.525 ' O ' ' OG1' ' A' ' 5' ' ' THR . 47.6 mttp . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 110.112 -0.329 . . . . 5.18 110.112 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.506 ' NH1' ' OP2' ' B' ' 105' ' ' ' DC' . 0.1 OUTLIER -90.08 -10.83 43.28 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 107.595 -1.261 . . . . 5.67 107.595 177.472 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.97 106.29 1.21 Allowed 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.619 -0.676 . . . . 1.68 109.268 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.48 -9.8 74.25 Favored Glycine 0 N--CA 1.495 2.583 0 C-N-CA 120.405 -0.902 . . . . 0.95 111.351 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.525 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 23.3 m -66.17 116.0 6.77 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.524 -1.574 . . . . 1.11 109.961 -179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.8 m -120.74 141.63 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 106.788 -1.56 . . . . 1.16 106.788 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 11' ' ' GLN . 44.2 t -61.77 118.52 7.26 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 120.57 -1.331 . . . . 0.36 109.767 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.2 m -60.13 -40.04 88.38 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.546 -0.721 . . . . 1.04 109.629 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -73.76 -45.39 52.15 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.107 -0.995 . . . . 1.92 111.469 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.589 ' SG ' ' HD2' ' A' ' 47' ' ' ARG . 8.1 p -126.52 10.83 7.31 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 120.832 -1.168 . . . . 0.58 113.871 -177.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 7' ' ' CYS . 96.3 mt-30 59.97 2.36 0.39 Allowed 'General case' 0 N--CA 1.51 2.554 0 N-CA-C 115.81 1.781 . . . . 3.07 115.81 176.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.637 ' CA ' HH21 ' A' ' 47' ' ' ARG . 6.6 t -63.75 145.82 55.05 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 119.255 -2.153 . . . . 1.08 108.5 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.0 p -107.53 -4.85 17.99 Favored 'General case' 0 N--CA 1.502 2.142 0 N-CA-C 106.908 -1.515 . . . . 1.66 106.908 177.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.7 p -103.88 119.85 39.78 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.155 -1.424 . . . . 1.21 107.155 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.9 p -147.15 147.77 30.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.153 -0.967 . . . . 1.07 108.822 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.448 ' OG1' ' C7 ' ' C' ' 125' ' ' ' DT' . 6.2 p -75.4 -39.79 58.62 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.203 -1.406 . . . . 1.1 107.203 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.568 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 8.3 tp -143.09 130.01 20.56 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 108.397 -0.964 . . . . 1.16 108.397 178.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -81.48 130.04 34.89 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.098 -1.001 . . . . 0.38 109.274 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.552 HH21 ' ND2' ' A' ' 29' ' ' ASN . 32.4 mmt180 -107.58 171.61 7.29 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.674 -0.861 . . . . 1.96 108.674 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.42 135.53 54.7 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 104.503 -2.406 . . . . 3.02 104.503 176.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.35 158.79 42.98 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 120.87 -1.144 . . . . 1.8 109.297 -178.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -51.88 -18.48 6.76 Favored 'Trans proline' 0 C--N 1.315 -1.217 0 C-N-CA 120.894 1.063 . . . . 0.89 111.908 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 35.7 mtt -93.89 -11.82 30.23 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.375 -0.828 . . . . 3.1 109.763 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.03 22.89 31.42 Favored Glycine 0 N--CA 1.491 2.367 0 N-CA-C 108.664 -1.775 . . . . 0.53 108.664 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -97.89 114.43 65.03 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.434 -1.039 . . . . 1.23 108.882 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -51.16 131.62 36.1 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 CA-C-N 120.044 1.051 . . . . 0.68 112.548 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.43 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 13.7 m -137.53 159.66 34.86 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 121.499 -0.751 . . . . 1.11 109.879 177.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 p -83.2 157.6 22.65 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.154 -0.966 . . . . 0.31 110.419 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.552 ' ND2' HH21 ' A' ' 19' ' ' ARG . 33.1 t-20 -47.05 -37.89 10.17 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.56 -0.712 . . . . 1.21 111.825 -178.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.97 -54.74 11.93 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 120.727 -1.233 . . . . 1.03 110.999 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.4 m -55.53 -43.4 75.72 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.771 -1.206 . . . . 0.35 110.436 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.03 -49.85 61.16 Favored Glycine 0 C--N 1.292 -1.877 0 C-N-CA 119.061 -1.542 . . . . 0.34 110.621 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.1 mt -70.25 -49.23 52.0 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.123 -1.222 . . . . 1.12 110.053 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -59.78 -47.29 86.28 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.681 -1.262 . . . . 1.3 109.436 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.663 ' O ' ' N ' ' A' ' 39' ' ' GLN . 22.9 t80 -61.02 -46.71 89.62 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.324 -0.86 . . . . 1.09 109.222 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -60.32 -42.84 96.44 Favored 'General case' 0 C--N 1.293 -1.877 0 O-C-N 120.397 -1.44 . . . . 2.08 110.105 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.43 -39.72 74.21 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.079 -1.013 . . . . 1.3 111.574 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.491 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 84.7 m-70 -113.26 -14.17 12.87 Favored 'General case' 0 N--CA 1.509 2.508 0 O-C-N 120.955 -1.09 . . . . 1.18 112.362 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.663 ' N ' ' O ' ' A' ' 35' ' ' TYR . 9.5 tt0 49.93 43.2 25.19 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.338 -1.476 . . . . 2.56 111.533 178.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.6 m -142.43 152.75 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.127 -1.608 . . . . 1.42 109.065 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 47.9 p-10 -84.45 140.32 31.59 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.087 -1.079 . . . . 1.5 108.087 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.464 ' NH2' ' SD ' ' A' ' 46' ' ' MET . 16.4 ptm180 -123.71 150.86 62.94 Favored Pre-proline 0 N--CA 1.506 2.363 0 O-C-N 120.993 -1.067 . . . . 5.7 110.567 -178.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -58.08 153.11 47.43 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 121.411 1.407 . . . . 1.03 113.2 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.439 ' CD1' ' N ' ' A' ' 44' ' ' LEU . 9.5 mp -75.95 18.65 0.25 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.793 -0.567 . . . . 1.35 112.232 -178.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.3 p -69.93 -12.06 61.33 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.405 -1.434 . . . . 2.35 109.749 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.464 ' SD ' ' NH2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -92.21 -9.91 40.57 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.158 -0.964 . . . . 1.67 109.908 -178.805 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.637 HH21 ' CA ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -84.55 148.86 26.27 Favored 'General case' 0 N--CA 1.498 1.954 0 CA-C-O 123.061 1.41 . . . . 6.05 114.712 -176.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -130.0 159.91 35.25 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 113.694 -1.594 . . . . 3.35 107.426 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -58.94 -75.9 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.807 -1.183 . . . . 2.5 109.513 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.61 -174.32 24.88 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 110.33 -1.108 . . . . 1.16 110.33 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.5 mt -92.01 142.56 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.45 -1.029 . . . . 1.12 109.251 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -77.21 150.61 35.43 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.479 -0.934 . . . . 1.95 108.479 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.22 163.5 29.15 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.938 -1.101 . . . . 1.25 109.242 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.517 ' NH2' ' OP1' ' B' ' 113' ' ' ' DC' . 5.6 tpt180 -149.97 159.43 44.4 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.586 -0.696 . . . . 3.34 109.942 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -57.75 132.58 53.73 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.499 -1.297 . . . . 2.76 107.499 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.437 ' CZ ' ' OP1' ' C' ' 126' ' ' ' DC' . 90.6 mtt180 -58.07 126.95 29.68 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.049 -1.032 . . . . 3.57 109.108 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 58' ' ' VAL . 50.2 pttt -53.99 178.89 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.306 -0.998 . . . . 1.85 108.306 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.581 ' C ' ' H ' ' A' ' 60' ' ' SER . 2.0 p -47.03 148.01 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 N-CA-C 107.81 -1.182 . . . . 2.32 107.81 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.7 p -66.54 35.51 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 118.605 -1.238 . . . . 2.44 109.817 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.581 ' H ' ' C ' ' A' ' 58' ' ' VAL . 47.5 t -56.22 140.95 42.9 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 106.097 -1.816 . . . . 3.04 106.097 178.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.808 ' C ' ' H ' ' A' ' 63' ' ' LYS . 3.2 tttt -158.57 172.8 17.64 Favored 'General case' 0 C--N 1.289 -2.033 0 O-C-N 120.942 -1.098 . . . . 6.28 108.749 -174.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.04 17.02 1.0 Allowed Glycine 0 N--CA 1.494 2.51 0 N-CA-C 104.996 -3.241 . . . . 5.52 104.996 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.808 ' H ' ' C ' ' A' ' 61' ' ' LYS . 1.7 mtpm? 1.59 -75.13 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 115.585 1.698 . . . . 8.2 115.585 -179.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.649 ' CG ' ' H ' ' A' ' 65' ' ' ARG 0.271 0.1 OUTLIER -142.06 -139.84 0.12 Allowed 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 123.69 1.71 . . . . 10.32 115.539 -166.841 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.649 ' H ' ' CG ' ' A' ' 64' ' ' LYS . 2.2 ttp-105 69.95 -122.42 0.12 Allowed 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 112.606 -2.088 . . . . 11.98 109.994 -178.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.287 -2.145 0 O-C-N 120.157 -1.59 . . . . 11.97 110.418 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.622 0 O4'-C1'-N19 110.581 3.476 . . . . 3.2799999999999998 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.509 H2'' " O5'" ' B' ' 103' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.106 0 O4'-C1'-N19 110.726 3.658 . . . . 2.8999999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . 0.556 H2'' " O5'" ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.198 0 O4'-C1'-N19 110.549 3.436 . . . . 2.4199999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.567 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.746 0 O4'-C1'-N19 110.867 3.833 . . . . 1.8400000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.567 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.543 0 O4'-C1'-N19 110.85 3.812 . . . . 1.1699999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.541 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.694 0 C3'-C2'-C1' 107.032 3.094 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.568 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.533 2.771 1 O4'-C1'-N19 112.073 5.341 . . . . 0.48999999999999999 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.555 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.071 0 O4'-C1'-N19 110.713 3.641 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.56 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.06 0 O4'-C1'-N19 110.388 3.235 . . . . 0.52000000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.56 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.618 0 O4'-C1'-N19 110.707 3.633 . . . . 0.45000000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . 0.45 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.934 0 O4'-C1'-N19 110.485 3.356 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.45 " O5'" H2'' ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.562 1 O4'-C1'-N19 111.7 4.874 . . . . 0.60999999999999999 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.614 H2'' " O5'" ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.297 0 C3'-C2'-C1' 107.275 3.268 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.614 " O5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.265 0 O4'-C1'-N19 110.724 3.655 . . . . 0.98999999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . 0.566 " O5'" H2'' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.114 0 O4'-C1'-N19 110.868 3.834 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . 0.429 " O5'" H2'' ' B' ' 115' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.517 0 O4'-C1'-N19 110.581 3.476 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.768 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.534 0 C3'-C2'-C1' 106.838 2.956 . . . . 2.1400000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.541 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.797 0 O4'-C1'-N19 110.575 3.468 . . . . 1.6100000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.503 " O5'" H2'' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.226 0 O4'-C1'-N19 110.931 3.913 . . . . 1.1599999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.566 H2'' " O5'" ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.24 0 O4'-C1'-N19 110.996 3.995 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.566 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.0 1 O4'-C1'-N19 111.661 4.826 . . . . 0.91000000000000003 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.491 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.532 2.637 0 O4'-C1'-N19 110.77 3.712 . . . . 0.80000000000000004 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . 0.45 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.254 1 O4'-C1'-N19 111.301 4.376 . . . . 0.40000000000000002 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.475 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.178 0 O4'-C1'-N19 110.491 3.364 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.475 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.925 1 O4'-C1'-N19 111.519 4.649 . . . . 0.67000000000000004 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.437 ' OP1' ' CZ ' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.539 3.543 0 O4'-C1'-N19 110.82 3.775 . . . . 0.41999999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.189 0 O4'-C1'-N19 110.391 3.239 . . . . 0.70999999999999996 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . 0.541 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.488 0 O4'-C1'-N19 110.764 3.706 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . 0.449 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.66 0 O4'-C1'-N19 110.487 3.358 . . . . 1.6299999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.596 H2'' " O5'" ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.293 0 O4'-C1'-N19 110.716 3.645 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . 0.602 H2'' " O5'" ' C' ' 132' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.26 0 O4'-C1'-N19 110.94 3.925 . . . . 2.4500000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . 0.602 " O5'" H2'' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.153 0 O4'-C1'-N19 110.942 3.928 . . . . 3.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.525 ' O ' ' OG1' ' A' ' 5' ' ' THR . 47.6 mttp . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 110.112 -0.329 . . . . 4.8099999999999996 110.112 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.506 ' NH1' ' OP2' ' B' ' 105' ' ' ' DC' . 0.1 OUTLIER -90.08 -10.83 43.28 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 107.595 -1.261 . . . . 5.0 107.595 177.472 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.97 106.29 1.21 Allowed 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.619 -0.676 . . . . 1.21 109.268 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.48 -9.8 74.25 Favored Glycine 0 N--CA 1.495 2.583 0 C-N-CA 120.405 -0.902 . . . . 0.83999999999999997 111.351 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.525 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 23.3 m -66.17 116.0 6.77 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.524 -1.574 . . . . 0.52000000000000002 109.961 -179.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.8 m -120.74 141.63 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 106.788 -1.56 . . . . 0.5 106.788 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 11' ' ' GLN . 44.2 t -61.77 118.52 7.26 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 120.57 -1.331 . . . . 0.35999999999999999 109.767 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.2 m -60.13 -40.04 88.38 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.546 -0.721 . . . . 0.46000000000000002 109.629 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -73.76 -45.39 52.15 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.107 -0.995 . . . . 1.2 111.469 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.587 ' SG ' ' HD2' ' A' ' 47' ' ' ARG . 8.1 p -126.52 10.83 7.31 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 120.832 -1.168 . . . . 0.57999999999999996 113.871 -177.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 7' ' ' CYS . 96.3 mt-30 59.97 2.36 0.39 Allowed 'General case' 0 N--CA 1.51 2.554 0 N-CA-C 115.81 1.781 . . . . 2.5099999999999998 115.81 176.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.667 ' CA ' HH21 ' A' ' 47' ' ' ARG . 6.6 t -63.75 145.82 55.05 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 119.255 -2.153 . . . . 0.45000000000000001 108.5 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.0 p -107.53 -4.85 17.99 Favored 'General case' 0 N--CA 1.502 2.142 0 N-CA-C 106.908 -1.515 . . . . 1.23 106.908 177.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.7 p -103.88 119.85 39.78 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.155 -1.424 . . . . 0.98999999999999999 107.155 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.9 p -147.15 147.77 30.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.153 -0.967 . . . . 0.38 108.822 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.466 HG22 HG21 ' A' ' 51' ' ' ILE . 6.2 p -75.4 -39.79 58.62 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.203 -1.406 . . . . 0.40000000000000002 107.203 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.568 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 8.3 tp -143.09 130.01 20.56 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 108.397 -0.964 . . . . 0.37 108.397 178.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -81.48 130.04 34.89 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.098 -1.001 . . . . 0.34000000000000002 109.274 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.564 HH21 ' ND2' ' A' ' 29' ' ' ASN . 32.4 mmt180 -107.58 171.61 7.29 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.674 -0.861 . . . . 1.2 108.674 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.42 135.53 54.7 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 104.503 -2.406 . . . . 2.5899999999999999 104.503 176.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.35 158.79 42.98 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 120.87 -1.144 . . . . 1.4199999999999999 109.297 -178.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -51.88 -18.48 6.76 Favored 'Trans proline' 0 C--N 1.315 -1.217 0 C-N-CA 120.894 1.063 . . . . 0.82999999999999996 111.908 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 35.7 mtt -93.89 -11.82 30.23 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.375 -0.828 . . . . 2.6800000000000002 109.763 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.03 22.89 31.42 Favored Glycine 0 N--CA 1.491 2.367 0 N-CA-C 108.664 -1.775 . . . . 0.53000000000000003 108.664 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -97.89 114.43 65.03 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.434 -1.039 . . . . 1.23 108.882 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -51.16 131.62 36.1 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 CA-C-N 120.044 1.051 . . . . 0.5 112.548 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.553 HG23 ' HB2' ' A' ' 19' ' ' ARG . 13.7 m -137.53 159.66 34.86 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 121.499 -0.751 . . . . 0.32000000000000001 109.879 177.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 p -83.2 157.6 22.65 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.154 -0.966 . . . . 0.31 110.419 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.564 ' ND2' HH21 ' A' ' 19' ' ' ARG . 33.1 t-20 -47.05 -37.89 10.17 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.56 -0.712 . . . . 0.85999999999999999 111.825 -178.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.97 -54.74 11.93 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 120.727 -1.233 . . . . 0.29999999999999999 110.999 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.4 m -55.53 -43.4 75.72 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.771 -1.206 . . . . 0.34999999999999998 110.436 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.03 -49.85 61.16 Favored Glycine 0 C--N 1.292 -1.877 0 C-N-CA 119.061 -1.542 . . . . 0.34000000000000002 110.621 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.1 mt -70.25 -49.23 52.0 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.123 -1.222 . . . . 0.38 110.053 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -59.78 -47.29 86.28 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.681 -1.262 . . . . 0.88 109.436 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.663 ' O ' ' N ' ' A' ' 39' ' ' GLN . 22.9 t80 -61.02 -46.71 89.62 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.324 -0.86 . . . . 0.64000000000000001 109.222 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -60.32 -42.84 96.44 Favored 'General case' 0 C--N 1.293 -1.877 0 O-C-N 120.397 -1.44 . . . . 1.55 110.105 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.43 -39.72 74.21 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.079 -1.013 . . . . 0.68000000000000005 111.574 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.491 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 84.7 m-70 -113.26 -14.17 12.87 Favored 'General case' 0 N--CA 1.509 2.508 0 O-C-N 120.955 -1.09 . . . . 1.1799999999999999 112.362 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.663 ' N ' ' O ' ' A' ' 35' ' ' TYR . 9.5 tt0 49.93 43.2 25.19 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.338 -1.476 . . . . 2.0800000000000001 111.533 178.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.6 m -142.43 152.75 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.127 -1.608 . . . . 0.77000000000000002 109.065 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.434 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 47.9 p-10 -84.45 140.32 31.59 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.087 -1.079 . . . . 1.0600000000000001 108.087 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.464 ' NH2' ' SD ' ' A' ' 46' ' ' MET . 16.4 ptm180 -123.71 150.86 62.94 Favored Pre-proline 0 N--CA 1.506 2.363 0 O-C-N 120.993 -1.067 . . . . 4.9900000000000002 110.567 -178.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.565 ' HB2' HG23 ' A' ' 45' ' ' THR . 5.8 Cg_endo -58.08 153.11 47.43 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 121.411 1.407 . . . . 0.96999999999999997 113.2 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.614 ' N ' HD12 ' A' ' 44' ' ' LEU . 9.5 mp -75.95 18.65 0.25 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.793 -0.567 . . . . 0.79000000000000004 112.232 -178.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.565 HG23 ' HB2' ' A' ' 43' ' ' PRO . 18.3 p -69.93 -12.06 61.33 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.405 -1.434 . . . . 1.8300000000000001 109.749 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.464 ' SD ' ' NH2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -92.21 -9.91 40.57 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.158 -0.964 . . . . 1.1000000000000001 109.908 -178.805 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.667 HH21 ' CA ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -84.55 148.86 26.27 Favored 'General case' 0 N--CA 1.498 1.954 0 CA-C-O 123.061 1.41 . . . . 5.2699999999999996 114.712 -176.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -130.0 159.91 35.25 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 113.694 -1.594 . . . . 2.8799999999999999 107.426 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -58.94 -75.9 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.807 -1.183 . . . . 2.5 109.513 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.61 -174.32 24.88 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 110.33 -1.108 . . . . 0.70999999999999996 110.33 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.466 HG21 HG22 ' A' ' 16' ' ' THR . 19.5 mt -92.01 142.56 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.45 -1.029 . . . . 0.41999999999999998 109.251 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -77.21 150.61 35.43 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.479 -0.934 . . . . 1.95 108.479 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.22 163.5 29.15 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.938 -1.101 . . . . 0.5 109.242 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.517 ' NH2' ' OP1' ' B' ' 113' ' ' ' DC' . 5.6 tpt180 -149.97 159.43 44.4 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.586 -0.696 . . . . 2.8900000000000001 109.942 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -57.75 132.58 53.73 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.499 -1.297 . . . . 2.1600000000000001 107.499 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.437 ' CZ ' ' OP1' ' C' ' 126' ' ' ' DC' . 90.6 mtt180 -58.07 126.95 29.68 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.049 -1.032 . . . . 3.0800000000000001 109.108 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 58' ' ' VAL . 50.2 pttt -53.99 178.89 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.306 -0.998 . . . . 1.24 108.306 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.554 ' C ' ' H ' ' A' ' 60' ' ' SER . 2.0 p -47.03 148.01 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 N-CA-C 107.81 -1.182 . . . . 1.77 107.81 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.7 p -66.54 35.51 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 118.605 -1.238 . . . . 2.1099999999999999 109.817 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.554 ' H ' ' C ' ' A' ' 58' ' ' VAL . 47.5 t -56.22 140.95 42.9 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 106.097 -1.816 . . . . 2.7599999999999998 106.097 178.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.829 ' C ' ' H ' ' A' ' 63' ' ' LYS . 3.2 tttt -158.57 172.8 17.64 Favored 'General case' 0 C--N 1.289 -2.033 0 O-C-N 120.942 -1.098 . . . . 5.9400000000000004 108.749 -174.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.04 17.02 1.0 Allowed Glycine 0 N--CA 1.494 2.51 0 N-CA-C 104.996 -3.241 . . . . 5.5199999999999996 104.996 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.829 ' H ' ' C ' ' A' ' 61' ' ' LYS . 1.7 mtpm? 1.59 -75.13 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 115.585 1.698 . . . . 8.0 115.585 -179.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.645 ' CG ' ' H ' ' A' ' 65' ' ' ARG 0.271 0.1 OUTLIER -142.06 -139.84 0.12 Allowed 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 123.69 1.71 . . . . 10.07 115.539 -166.841 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.645 ' H ' ' CG ' ' A' ' 64' ' ' LYS . 2.2 ttp-105 69.95 -122.42 0.12 Allowed 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 112.606 -2.088 . . . . 11.49 109.994 -178.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.464 ' H ' ' HB3' ' A' ' 65' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.287 -2.145 0 O-C-N 120.157 -1.59 . . . . 11.49 110.418 -175.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.622 0 O4'-C1'-N19 110.581 3.476 . . . . 3.2799999999999998 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.509 H2'' " O5'" ' B' ' 103' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.106 0 O4'-C1'-N19 110.726 3.658 . . . . 2.8999999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . 0.556 H2'' " O5'" ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.198 0 O4'-C1'-N19 110.549 3.436 . . . . 2.4199999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.567 H2'' " O5'" ' B' ' 105' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.746 0 O4'-C1'-N19 110.867 3.833 . . . . 1.8400000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.567 " O5'" H2'' ' B' ' 104' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.543 0 O4'-C1'-N19 110.85 3.812 . . . . 1.1699999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.541 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.694 0 C3'-C2'-C1' 107.032 3.094 . . . . 0.63 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.568 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.533 2.771 1 O4'-C1'-N19 112.073 5.341 . . . . 0.48999999999999999 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.555 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.071 0 O4'-C1'-N19 110.713 3.641 . . . . 0.70999999999999996 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.56 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.06 0 O4'-C1'-N19 110.388 3.235 . . . . 0.52000000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.56 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.618 0 O4'-C1'-N19 110.707 3.633 . . . . 0.45000000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . 0.45 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.934 0 O4'-C1'-N19 110.485 3.356 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.45 " O5'" H2'' ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.562 1 O4'-C1'-N19 111.7 4.874 . . . . 0.60999999999999999 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.614 H2'' " O5'" ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.297 0 C3'-C2'-C1' 107.275 3.268 . . . . 0.81000000000000005 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.614 " O5'" H2'' ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.265 0 O4'-C1'-N19 110.724 3.655 . . . . 0.98999999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . 0.566 " O5'" H2'' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.114 0 O4'-C1'-N19 110.868 3.834 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . 0.429 " O5'" H2'' ' B' ' 115' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.517 0 O4'-C1'-N19 110.581 3.476 . . . . 1.77 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.768 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.534 0 C3'-C2'-C1' 106.838 2.956 . . . . 2.1400000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.541 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.797 0 O4'-C1'-N19 110.575 3.468 . . . . 1.6100000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.503 " O5'" H2'' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.226 0 O4'-C1'-N19 110.931 3.913 . . . . 1.1599999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.566 H2'' " O5'" ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.24 0 O4'-C1'-N19 110.996 3.995 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.566 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.0 1 O4'-C1'-N19 111.661 4.826 . . . . 0.91000000000000003 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.491 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.532 2.637 0 O4'-C1'-N19 110.77 3.712 . . . . 0.80000000000000004 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . 0.45 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.254 1 O4'-C1'-N19 111.301 4.376 . . . . 0.40000000000000002 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.475 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.178 0 O4'-C1'-N19 110.491 3.364 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.475 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.925 1 O4'-C1'-N19 111.519 4.649 . . . . 0.67000000000000004 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.437 ' OP1' ' CZ ' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.539 3.543 0 O4'-C1'-N19 110.82 3.775 . . . . 0.41999999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.189 0 O4'-C1'-N19 110.391 3.239 . . . . 0.70999999999999996 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . 0.541 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.488 0 O4'-C1'-N19 110.764 3.706 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . 0.449 H2'' " O5'" ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.66 0 O4'-C1'-N19 110.487 3.358 . . . . 1.6299999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.596 H2'' " O5'" ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.293 0 O4'-C1'-N19 110.716 3.645 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . 0.602 H2'' " O5'" ' C' ' 132' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.26 0 O4'-C1'-N19 110.94 3.925 . . . . 2.4500000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . 0.602 " O5'" H2'' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.153 0 O4'-C1'-N19 110.942 3.928 . . . . 3.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.525 ' O ' ' OG1' ' A' ' 5' ' ' THR . 47.6 mttp . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 110.112 -0.329 . . . . 4.8099999999999996 110.112 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.506 ' NH1' ' OP2' ' B' ' 105' ' ' ' DC' . 0.1 OUTLIER -90.08 -10.83 43.28 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 107.595 -1.261 . . . . 5.0 107.595 177.472 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.97 106.29 1.21 Allowed 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.619 -0.676 . . . . 1.21 109.268 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.48 -9.8 74.25 Favored Glycine 0 N--CA 1.495 2.583 0 C-N-CA 120.405 -0.902 . . . . 0.83999999999999997 111.351 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.525 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 23.3 m -66.17 116.0 6.77 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.524 -1.574 . . . . 0.52000000000000002 109.961 -179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.8 m -120.74 141.63 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 106.788 -1.56 . . . . 0.5 106.788 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 11' ' ' GLN . 44.2 t -61.77 118.52 7.26 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 120.57 -1.331 . . . . 0.35999999999999999 109.767 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.2 m -60.13 -40.04 88.38 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.546 -0.721 . . . . 0.46000000000000002 109.629 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -73.76 -45.39 52.15 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.107 -0.995 . . . . 1.2 111.469 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.587 ' SG ' ' HD2' ' A' ' 47' ' ' ARG . 8.1 p -126.52 10.83 7.31 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 120.832 -1.168 . . . . 0.57999999999999996 113.871 -177.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 7' ' ' CYS . 96.3 mt-30 59.97 2.36 0.39 Allowed 'General case' 0 N--CA 1.51 2.554 0 N-CA-C 115.81 1.781 . . . . 2.5099999999999998 115.81 176.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.667 ' CA ' HH21 ' A' ' 47' ' ' ARG . 6.6 t -63.75 145.82 55.05 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 119.255 -2.153 . . . . 0.45000000000000001 108.5 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.0 p -107.53 -4.85 17.99 Favored 'General case' 0 N--CA 1.502 2.142 0 N-CA-C 106.908 -1.515 . . . . 1.23 106.908 177.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.7 p -103.88 119.85 39.78 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.155 -1.424 . . . . 0.98999999999999999 107.155 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.9 p -147.15 147.77 30.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.153 -0.967 . . . . 0.38 108.822 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.466 HG22 HG21 ' A' ' 51' ' ' ILE . 6.2 p -75.4 -39.79 58.62 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.203 -1.406 . . . . 0.40000000000000002 107.203 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.568 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 8.3 tp -143.09 130.01 20.56 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 108.397 -0.964 . . . . 0.37 108.397 178.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -81.48 130.04 34.89 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.098 -1.001 . . . . 0.34000000000000002 109.274 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.564 HH21 ' ND2' ' A' ' 29' ' ' ASN . 32.4 mmt180 -107.58 171.61 7.29 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.674 -0.861 . . . . 1.2 108.674 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.42 135.53 54.7 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 104.503 -2.406 . . . . 2.5899999999999999 104.503 176.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.35 158.79 42.98 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 120.87 -1.144 . . . . 1.4199999999999999 109.297 -178.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -51.88 -18.48 6.76 Favored 'Trans proline' 0 C--N 1.315 -1.217 0 C-N-CA 120.894 1.063 . . . . 0.82999999999999996 111.908 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 35.7 mtt -93.89 -11.82 30.23 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.375 -0.828 . . . . 2.6800000000000002 109.763 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.03 22.89 31.42 Favored Glycine 0 N--CA 1.491 2.367 0 N-CA-C 108.664 -1.775 . . . . 0.53000000000000003 108.664 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -97.89 114.43 65.03 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.434 -1.039 . . . . 1.23 108.882 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -51.16 131.62 36.1 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 CA-C-N 120.044 1.051 . . . . 0.5 112.548 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.553 HG23 ' HB2' ' A' ' 19' ' ' ARG . 13.7 m -137.53 159.66 34.86 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 121.499 -0.751 . . . . 0.32000000000000001 109.879 177.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 p -83.2 157.6 22.65 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.154 -0.966 . . . . 0.31 110.419 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.564 ' ND2' HH21 ' A' ' 19' ' ' ARG . 33.1 t-20 -47.05 -37.89 10.17 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.56 -0.712 . . . . 0.85999999999999999 111.825 -178.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.97 -54.74 11.93 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 120.727 -1.233 . . . . 0.29999999999999999 110.999 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.4 m -55.53 -43.4 75.72 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.771 -1.206 . . . . 0.34999999999999998 110.436 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.03 -49.85 61.16 Favored Glycine 0 C--N 1.292 -1.877 0 C-N-CA 119.061 -1.542 . . . . 0.34000000000000002 110.621 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.1 mt -70.25 -49.23 52.0 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.123 -1.222 . . . . 0.38 110.053 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -59.78 -47.29 86.28 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.681 -1.262 . . . . 0.88 109.436 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.663 ' O ' ' N ' ' A' ' 39' ' ' GLN . 22.9 t80 -61.02 -46.71 89.62 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.324 -0.86 . . . . 0.64000000000000001 109.222 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -60.32 -42.84 96.44 Favored 'General case' 0 C--N 1.293 -1.877 0 O-C-N 120.397 -1.44 . . . . 1.55 110.105 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.43 -39.72 74.21 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.079 -1.013 . . . . 0.68000000000000005 111.574 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.491 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 84.7 m-70 -113.26 -14.17 12.87 Favored 'General case' 0 N--CA 1.509 2.508 0 O-C-N 120.955 -1.09 . . . . 1.1799999999999999 112.362 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.663 ' N ' ' O ' ' A' ' 35' ' ' TYR . 9.5 tt0 49.93 43.2 25.19 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.338 -1.476 . . . . 2.0800000000000001 111.533 178.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.6 m -142.43 152.75 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.127 -1.608 . . . . 0.77000000000000002 109.065 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.434 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 47.9 p-10 -84.45 140.32 31.59 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.087 -1.079 . . . . 1.0600000000000001 108.087 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.464 ' NH2' ' SD ' ' A' ' 46' ' ' MET . 16.4 ptm180 -123.71 150.86 62.94 Favored Pre-proline 0 N--CA 1.506 2.363 0 O-C-N 120.993 -1.067 . . . . 4.9900000000000002 110.567 -178.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.565 ' HB2' HG23 ' A' ' 45' ' ' THR . 5.8 Cg_endo -58.08 153.11 47.43 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 121.411 1.407 . . . . 0.96999999999999997 113.2 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.614 ' N ' HD12 ' A' ' 44' ' ' LEU . 9.5 mp -75.95 18.65 0.25 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.793 -0.567 . . . . 0.79000000000000004 112.232 -178.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.565 HG23 ' HB2' ' A' ' 43' ' ' PRO . 18.3 p -69.93 -12.06 61.33 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.405 -1.434 . . . . 1.8300000000000001 109.749 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.464 ' SD ' ' NH2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -92.21 -9.91 40.57 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.158 -0.964 . . . . 1.1000000000000001 109.908 -178.805 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.667 HH21 ' CA ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -84.55 148.86 26.27 Favored 'General case' 0 N--CA 1.498 1.954 0 CA-C-O 123.061 1.41 . . . . 5.2699999999999996 114.712 -176.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -130.0 159.91 35.25 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 113.694 -1.594 . . . . 2.8799999999999999 107.426 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -58.94 -75.9 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.807 -1.183 . . . . 2.5 109.513 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.61 -174.32 24.88 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 110.33 -1.108 . . . . 0.70999999999999996 110.33 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.466 HG21 HG22 ' A' ' 16' ' ' THR . 19.5 mt -92.01 142.56 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.45 -1.029 . . . . 0.41999999999999998 109.251 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -77.21 150.61 35.43 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.479 -0.934 . . . . 1.95 108.479 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.22 163.5 29.15 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.938 -1.101 . . . . 0.5 109.242 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.517 ' NH2' ' OP1' ' B' ' 113' ' ' ' DC' . 5.6 tpt180 -149.97 159.43 44.4 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.586 -0.696 . . . . 2.8900000000000001 109.942 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -57.75 132.58 53.73 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.499 -1.297 . . . . 2.1600000000000001 107.499 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.437 ' CZ ' ' OP1' ' C' ' 126' ' ' ' DC' . 90.6 mtt180 -58.07 126.95 29.68 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.049 -1.032 . . . . 3.0800000000000001 109.108 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 58' ' ' VAL . 50.2 pttt -53.99 178.89 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.306 -0.998 . . . . 1.24 108.306 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.554 ' C ' ' H ' ' A' ' 60' ' ' SER . 2.0 p -47.03 148.01 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 N-CA-C 107.81 -1.182 . . . . 1.77 107.81 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.7 p -66.54 35.51 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 118.605 -1.238 . . . . 2.1099999999999999 109.817 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.554 ' H ' ' C ' ' A' ' 58' ' ' VAL . 47.5 t -56.22 140.95 42.9 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 106.097 -1.816 . . . . 2.7599999999999998 106.097 178.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.829 ' C ' ' H ' ' A' ' 63' ' ' LYS . 3.2 tttt -158.57 172.8 17.64 Favored 'General case' 0 C--N 1.289 -2.033 0 O-C-N 120.942 -1.098 . . . . 5.9400000000000004 108.749 -174.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.04 17.02 1.0 Allowed Glycine 0 N--CA 1.494 2.51 0 N-CA-C 104.996 -3.241 . . . . 5.5199999999999996 104.996 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.829 ' H ' ' C ' ' A' ' 61' ' ' LYS . 1.7 mtpm? 1.59 -75.13 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 115.585 1.698 . . . . 8.0 115.585 -179.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.645 ' CG ' ' H ' ' A' ' 65' ' ' ARG 0.271 0.1 OUTLIER -142.06 -139.84 0.12 Allowed 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 123.69 1.71 . . . . 10.07 115.539 -166.841 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.645 ' H ' ' CG ' ' A' ' 64' ' ' LYS . 2.2 ttp-105 69.95 -122.42 0.12 Allowed 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 112.606 -2.088 . . . . 11.49 109.994 -178.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.464 ' H ' ' HB3' ' A' ' 65' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.287 -2.145 0 O-C-N 120.157 -1.59 . . . . 11.49 110.418 -175.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_