data_1etg_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 1etg _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 core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.7 p -87.39 174.16 8.7 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.507 ' O ' ' HG2' ' B' ' 38' ' ' ARG . 23.3 mtp-105 -59.83 -37.91 80.57 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -71.08 -55.72 7.64 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.263 -0.644 . . . . 0.0 109.263 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.703 ' O ' ' HG3' ' B' ' 41' ' ' ARG . . . -47.52 -46.69 27.76 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.859 0.864 . . . . 0.0 110.452 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' B' ' 35' ' ' ARG . 16.3 ptm180 -70.04 -48.37 58.19 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 1.342 ' NH1' ' HD3' ' B' ' 43' ' ' ARG . 29.2 tpt85 -55.35 -45.5 76.47 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -65.52 -50.85 63.7 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.703 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 83.8 mtp180 -60.98 -35.62 77.29 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' B' ' 38' ' ' ARG . 44.1 ttm180 -67.29 -46.25 74.17 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 -176.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . 1.342 ' HD3' ' NH1' ' B' ' 39' ' ' ARG . 35.8 mtm105 -60.35 -21.86 62.58 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -175.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -70.97 -55.59 8.01 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 30.9 t90 -57.7 -41.23 81.25 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 172.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.834 ' HB3' ' HA ' ' B' ' 43' ' ' ARG . 20.9 tpt180 -55.71 -69.76 0.13 Allowed 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.736 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 1.181 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 4.6 tm-20 -60.42 -37.54 81.2 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.219 0.608 . . . . 0.0 110.176 -176.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -61.2 -53.28 58.88 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -58.46 -27.35 64.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.571 -0.899 . . . . 0.0 108.571 172.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 1.181 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 36.2 tpt85 -58.19 -55.08 39.58 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.909 0.884 . . . . 0.0 109.487 173.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . 0.708 ' O ' ' HG2' ' B' ' 55' ' ' ARG . . . -58.13 -51.81 68.16 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.29 64.67 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.65 -53.97 49.97 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.78 -55.43 32.48 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.708 ' HG2' ' O ' ' B' ' 51' ' ' ALA . 22.1 mmm180 . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 . . . . . 0 N--CA 1.471 0.6 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 25.8 m -152.83 149.51 28.38 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -171.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 24.3 mtp-105 -52.43 -40.2 61.91 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -65.93 -53.12 43.35 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.02 -52.29 61.28 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -178.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.688 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 99.9 mtt180 -58.71 -49.72 76.55 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 18.9 tpp85 -56.04 -59.37 5.01 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -57.88 -40.58 80.58 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 122.796 0.438 . . . . 0.0 110.131 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -63.14 -52.21 63.4 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.688 ' HG3' ' O ' ' B' ' 38' ' ' ARG . 99.5 mtt180 -55.36 -39.77 70.47 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -178.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -55.78 -57.14 13.29 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -56.79 -46.15 81.71 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -176.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' TRP . . . . . 0.847 ' O ' ' HB3' ' B' ' 48' ' ' ARG . 0.0 OUTLIER -60.43 -60.26 4.1 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.707 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -55.34 -30.25 59.89 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.602 0.761 . . . . 0.0 110.568 -166.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.33 -36.86 69.2 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 170.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.847 ' HB3' ' O ' ' B' ' 45' ' ' TRP . 15.4 tpp180 -61.52 -57.02 13.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.828 175.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -54.54 -44.38 72.79 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.826 0.45 . . . . 0.0 109.96 -174.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -63.21 -56.64 14.97 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.09 -51.21 68.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.98 -54.83 40.06 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.11 -56.99 14.13 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.45 -57.29 12.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.449 -0.507 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 110.577 -0.157 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 68.4 p -83.66 174.73 10.26 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.539 ' HB2' HE21 ' B' ' 36' ' ' GLN . 45.0 mmm-85 -60.2 -29.26 68.61 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 176.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.66 ' O ' ' ND2' ' B' ' 40' ' ' ASN . 15.8 mm-40 -71.35 -46.54 60.26 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.011 -175.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.68 ' O ' ' HG3' ' B' ' 41' ' ' ARG . . . -51.88 -53.94 34.88 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.239 0.616 . . . . 0.0 110.117 -175.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.731 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 61.2 ttm-85 -56.88 -40.94 77.12 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.711 ' CD ' HH12 ' B' ' 43' ' ' ARG . 24.7 tpt180 -59.62 -44.83 93.31 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -177.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . 0.66 ' ND2' ' O ' ' B' ' 36' ' ' GLN . 9.6 m-80 -70.55 -42.41 71.18 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.68 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 82.1 mtp180 -55.32 -38.09 68.26 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.731 ' HG3' ' O ' ' B' ' 38' ' ' ARG . 93.2 mtt-85 -62.19 -42.89 99.7 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . 0.711 HH12 ' CD ' ' B' ' 39' ' ' ARG . 61.0 mmt-85 -51.33 -35.18 36.88 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -178.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.747 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 0.9 OUTLIER -74.67 -56.62 4.6 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.198 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' TRP . . . . . 0.626 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 20.5 t90 -64.22 -48.87 74.2 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 122.758 0.423 . . . . 0.0 110.567 -176.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -56.86 -50.43 72.5 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -177.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.724 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 49.7 mt-10 -74.7 -28.16 60.69 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.747 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 15.0 tpp180 -55.53 -63.2 1.24 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -179.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -58.3 -29.74 66.09 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.724 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 15.8 tpp180 -58.77 -53.11 62.11 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.07 -52.42 65.59 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.98 -51.51 67.48 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.48 -52.58 63.16 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.02 -57.09 13.61 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.814 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 . . . . . 0 N--CA 1.471 0.623 0 N-CA-C 110.625 -0.139 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.432 ' O ' ' N ' ' B' ' 38' ' ' ARG . 25.1 m -152.56 148.42 27.34 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -171.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 43.5 ttp85 -57.27 -40.45 77.75 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 -176.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -59.09 -58.28 9.36 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 174.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.713 ' O ' ' HG2' ' B' ' 41' ' ' ARG . . . -55.01 -41.3 71.11 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' B' ' 42' ' ' ARG . 8.0 tpm_? -56.22 -51.11 69.28 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 -177.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.789 ' O ' ' HB2' ' B' ' 43' ' ' ARG . 31.5 ttm105 -70.17 -47.07 63.16 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -174.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . 0.861 ' O ' ' HB3' ' B' ' 43' ' ' ARG . 57.3 m-20 -54.78 -58.36 7.89 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.529 0.332 . . . . 0.0 110.414 -174.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.713 ' HG2' ' O ' ' B' ' 37' ' ' ALA . 40.2 ptt180 -70.2 -48.82 55.51 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -177.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.6 ' N ' ' HG3' ' B' ' 41' ' ' ARG . 57.7 ttp180 -55.86 -31.61 62.92 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 177.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . 0.861 ' HB3' ' O ' ' B' ' 40' ' ' ASN . 72.1 ttt-85 -50.35 -39.91 47.75 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 123.564 0.745 . . . . 0.0 109.539 174.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 1.171 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 22.5 mmt180 -74.09 -26.98 60.67 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.103 -174.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' TRP . . . . . 0.658 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 11.4 t90 -71.07 -46.27 62.21 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 1.126 ' NH1' ' HG3' ' B' ' 50' ' ' ARG . 0.8 OUTLIER -57.08 -58.97 5.86 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.699 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.491 ' HA ' ' CB ' ' B' ' 50' ' ' ARG . 40.6 tt0 -71.12 -30.87 67.06 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 1.171 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 25.1 tpt180 -54.33 -73.69 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -62.24 -23.12 66.48 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 1.126 ' HG3' ' NH1' ' B' ' 46' ' ' ARG . 1.2 tmt_? -58.57 -58.55 8.04 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.9 -54.43 42.67 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.35 -51.91 66.51 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.37 -53.9 50.36 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.7 -48.92 74.3 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.381 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . 0.832 ' OD1' ' NH2' ' B' ' 41' ' ' ARG . 13.2 t70 . . . . . 0 N--CA 1.471 0.583 0 CA-C-O 120.769 0.318 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 67.0 p -84.01 175.03 9.82 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 23.6 mtp-105 -54.72 -32.22 59.34 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -67.13 -52.71 38.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.62 -46.66 49.61 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.22 0.608 . . . . 0.0 110.085 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' B' ' 42' ' ' ARG . 99.2 mtt180 -57.95 -51.85 67.92 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 177.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.64 ' HA ' ' HB3' ' B' ' 42' ' ' ARG . 58.4 ttt85 -64.28 -44.5 91.5 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -176.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . 0.434 ' O ' ' HB2' ' B' ' 44' ' ' ARG . 73.9 m-20 -54.48 -42.73 71.03 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.918 ' O ' ' HB3' ' B' ' 44' ' ' ARG . 89.7 mtm180 -74.97 -36.59 62.05 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 174.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.64 ' HB3' ' HA ' ' B' ' 39' ' ' ARG . 15.1 tpp180 -58.09 -58.72 7.19 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -52.04 -30.19 24.5 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 172.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.95 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 16.9 tpp180 -62.04 -47.76 83.28 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.859 -175.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' TRP . . . . . 0.407 ' O ' ' CB ' ' B' ' 49' ' ' GLN . 81.3 t90 -57.79 -43.21 85.44 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -178.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -67.16 -62.61 1.34 Allowed 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -176.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.678 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 50.7 mt-10 -55.0 -43.94 74.05 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.95 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 0.7 OUTLIER -60.68 -56.6 19.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -179.693 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.407 ' CB ' ' O ' ' B' ' 45' ' ' TRP . 11.7 tp-100 -59.07 -27.05 65.16 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.678 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 16.0 tpp180 -58.61 -50.07 75.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -178.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.12 -54.05 49.73 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.06 -51.25 68.5 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.54 -55.65 29.46 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.87 -56.5 19.91 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -179.661 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 . . . . . 0 N--CA 1.471 0.595 0 N-CA-C 110.589 -0.152 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 52.9 p -83.81 171.41 13.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' B' ' 39' ' ' ARG . 25.9 mtp-105 -60.29 -33.88 72.97 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -65.34 -50.84 64.09 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 1.02 ' O ' ' HB2' ' B' ' 41' ' ' ARG . . . -55.66 -40.73 72.64 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.801 ' O ' ' HG2' ' B' ' 42' ' ' ARG . 84.4 mtp180 -70.12 -44.75 68.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 176.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' B' ' 35' ' ' ARG . 24.4 tpt180 -58.68 -62.92 1.5 Allowed 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . 0.678 ' O ' ' HB3' ' B' ' 43' ' ' ARG . 48.1 m-20 -53.21 -36.79 61.38 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 173.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 1.02 ' HB2' ' O ' ' B' ' 37' ' ' ALA . 69.7 ttt-85 -57.02 -50.34 73.01 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 1.293 ' CB ' ' NH2' ' B' ' 46' ' ' ARG . 31.9 mmt180 -67.25 -36.02 80.75 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . 0.678 ' HB3' ' O ' ' B' ' 40' ' ' ASN . 4.2 tpm_? -48.58 -46.42 39.25 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.383 1.073 . . . . 0.0 109.924 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 94.3 mtt-85 -73.91 -44.01 56.57 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.312 -173.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -63.08 -34.32 77.34 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 122.719 0.408 . . . . 0.0 110.186 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 1.293 ' NH2' ' CB ' ' B' ' 42' ' ' ARG . 4.1 tpp180 -55.81 -64.42 0.86 Allowed 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -59.62 -43.17 93.9 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.83 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 1.6 tmm_? -54.37 -54.01 46.33 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 -177.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -55.07 -43.54 73.96 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 122.77 0.428 . . . . 0.0 110.115 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' B' ' 46' ' ' ARG . 30.1 mmt180 -58.9 -56.41 22.58 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -177.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' B' ' 55' ' ' ARG . . . -55.6 -47.42 76.53 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -177.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.16 -54.92 22.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.36 -51.74 65.79 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.81 -57.58 11.43 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' B' ' 51' ' ' ALA . 77.2 mtp180 . . . . . 0 N--CA 1.45 -0.458 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 . . . . . 0 N--CA 1.471 0.607 0 CA-C-O 120.555 0.217 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 33.2 m -153.88 148.87 26.72 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -171.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -49.76 -25.46 3.04 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.46 0.704 . . . . 0.0 109.937 -175.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -71.33 -57.82 4.1 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.02 -45.29 61.19 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.34 0.656 . . . . 0.0 110.674 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -55.81 -63.06 1.3 Allowed 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -44.04 64.72 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.928 0.491 . . . . 0.0 109.893 -177.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -61.76 -41.68 98.0 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -75.07 -52.97 9.71 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -53.84 -48.94 69.46 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -58.64 -58.01 10.46 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 61.9 ttm-85 -55.57 -43.56 76.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.861 -177.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 28.5 t90 -58.31 -48.41 80.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -175.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' B' ' 50' ' ' ARG . 88.7 mtm180 -58.59 -56.25 24.62 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 -177.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.484 ' HA ' ' CB ' ' B' ' 50' ' ' ARG . 12.2 mm-40 -56.23 -38.63 71.33 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -178.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 1.4 tmm_? -59.92 -52.25 66.22 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -65.96 -33.84 76.74 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' B' ' 46' ' ' ARG . 1.2 tmt_? -58.38 -57.6 12.21 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.96 -53.36 56.64 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.61 -46.64 80.8 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.51 -3.54 15.09 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 119.604 -0.236 . . . . 0.0 110.936 -175.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.14 57.15 0.15 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.427 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.416 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.471 0.585 0 CA-C-O 120.503 0.192 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 87.4 m -156.02 152.88 28.64 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -171.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 20.1 tpp85 -51.61 -49.98 61.12 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 -178.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -59.29 -56.04 27.2 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' B' ' 41' ' ' ARG . . . -53.74 -48.34 69.75 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -178.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 -60.36 -53.21 60.37 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -57.04 -52.78 63.92 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . 0.773 ' O ' ' HB3' ' B' ' 43' ' ' ARG . 64.8 m-20 -62.83 -50.89 69.18 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.472 ' CB ' ' O ' ' B' ' 37' ' ' ALA . 35.6 ttm180 -59.24 -48.55 81.2 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.545 ' O ' ' HB2' ' B' ' 46' ' ' ARG . 70.0 ttp85 -53.67 -27.98 30.78 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . 0.981 ' CG ' HH21 ' B' ' 44' ' ' ARG . 2.3 tpp180 -56.87 -45.58 82.39 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.981 HH21 ' CG ' ' B' ' 43' ' ' ARG . 5.9 mmp_? -59.8 -61.41 2.63 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -57.88 -49.26 77.31 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.131 -177.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.666 HH12 ' CG ' ' B' ' 50' ' ' ARG . 0.2 OUTLIER -59.53 -54.79 42.44 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -176.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -66.49 -32.17 73.37 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 14.5 tpp180 -55.25 -65.73 0.54 Allowed 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -176.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -58.77 -28.22 65.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.666 ' CG ' HH12 ' B' ' 46' ' ' ARG . 0.4 OUTLIER -58.89 -53.72 55.23 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.645 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.04 -45.38 90.91 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.67 ' O ' ' HB3' ' B' ' 55' ' ' ARG . . . -56.5 -44.95 81.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 -175.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.07 -50.89 68.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -176.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.06 -40.4 73.49 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.67 ' HB3' ' O ' ' B' ' 52' ' ' ALA . 22.2 tpt180 . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 . . . . . 0 N--CA 1.47 0.567 0 CA-C-O 120.556 0.217 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.53 ' O ' ' N ' ' B' ' 38' ' ' ARG . 53.4 m -153.44 152.62 31.22 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -172.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 23.9 mtp-105 -47.38 -53.72 13.09 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 123.865 0.866 . . . . 0.0 109.335 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -56.36 -53.97 51.01 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.302 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.3 95.48 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 176.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' B' ' 34' ' ' THR . 7.3 tpm_? -55.99 -57.93 10.05 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 74.0 mtp85 -57.75 -51.25 70.34 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -176.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -57.17 -45.91 83.24 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -64.26 -41.11 97.1 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' B' ' 46' ' ' ARG . 68.4 ttp85 -66.87 -35.66 80.53 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -174.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . 0.762 ' HA ' ' HB3' ' B' ' 46' ' ' ARG . 7.2 tmm_? -64.39 -17.95 64.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -176.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.878 ' O ' ' CB ' ' B' ' 48' ' ' ARG . 29.1 mmt180 -72.0 -59.1 2.92 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 172.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' TRP . . . . . 0.464 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 43.2 t90 -58.24 -36.99 74.02 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 174.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.762 ' HB3' ' HA ' ' B' ' 43' ' ' ARG . 78.2 ttt180 -55.58 -79.68 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.768 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 4.5 tm-20 -53.95 -36.76 63.17 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -178.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.878 ' CB ' ' O ' ' B' ' 44' ' ' ARG . 24.2 tpt180 -48.56 -61.12 2.18 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.955 0.902 . . . . 0.0 110.132 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -74.14 -14.67 61.0 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.768 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 16.6 tpp180 -58.88 -40.65 85.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 174.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.3 -44.01 76.4 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.59 -52.19 65.75 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.48 -52.29 65.99 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.69 -54.88 38.84 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 61.7 ttm-85 . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.323 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 110.672 -0.122 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.528 ' O ' ' N ' ' B' ' 38' ' ' ARG . 16.2 m -152.55 148.07 26.94 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -172.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.735 ' HA ' ' CB ' ' B' ' 38' ' ' ARG . 90.8 mtm-85 -53.48 -30.74 42.55 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -176.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -62.79 -64.3 0.96 Allowed 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 173.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' B' ' 41' ' ' ARG . . . -58.58 -10.74 2.4 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 173.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.825 ' CD ' HH21 ' B' ' 41' ' ' ARG . 11.2 tpt180 -75.39 -52.89 9.7 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -175.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 1.305 ' O ' ' HB2' ' B' ' 43' ' ' ARG . 99.7 mtt180 -61.44 -38.21 86.35 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -63.11 -56.28 18.17 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.446 -173.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.825 HH21 ' CD ' ' B' ' 38' ' ' ARG . 36.5 ptt180 -65.09 -54.27 32.65 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.751 ' O ' ' HB2' ' B' ' 46' ' ' ARG . 66.9 mtm180 -67.32 -27.81 67.46 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . 1.305 ' HB2' ' O ' ' B' ' 39' ' ' ARG . 2.9 tmm_? -56.5 -53.0 62.62 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.773 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 94.3 mtt-85 -55.54 -60.98 2.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' TRP . . . . . 0.459 ' O ' ' CB ' ' B' ' 49' ' ' GLN . 34.1 t90 -57.64 -33.25 68.08 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.826 ' HB3' ' O ' ' B' ' 43' ' ' ARG . 78.9 ttt180 -55.73 -73.97 0.05 Allowed 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 123.437 0.695 . . . . 0.0 109.789 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.987 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 3.9 tm-20 -58.59 -45.43 89.11 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 123.078 0.551 . . . . 0.0 109.556 176.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.773 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 0.5 OUTLIER -55.47 -58.33 8.21 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.046 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.459 ' CB ' ' O ' ' B' ' 45' ' ' TRP . 11.6 tp-100 -57.31 -29.25 63.76 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 176.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.987 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 73.4 ttt-85 -58.77 -55.41 35.49 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.724 177.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.68 -48.91 74.29 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.413 ' HB1' ' NH1' ' B' ' 48' ' ' ARG . . . -55.95 -53.08 61.25 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -178.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.15 -55.96 26.68 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.94 -57.68 11.74 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 -179.893 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 48.8 p30 . . . . . 0 N--CA 1.471 0.598 0 N-CA-C 110.605 -0.146 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 65.8 p -143.72 -177.74 5.56 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.116 0.966 . . . . 0.0 108.636 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 5.3 tpp85 -51.67 -41.32 61.3 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.359 0.664 . . . . 0.0 109.86 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -64.0 -55.99 18.33 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -173.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.912 ' O ' ' HG3' ' B' ' 41' ' ' ARG . . . -50.69 -47.24 58.94 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.169 0.587 . . . . 0.0 110.444 -176.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 18.3 mmt85 -61.34 -54.15 47.55 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -55.53 -52.15 64.66 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -176.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' B' ' 44' ' ' ARG . 51.2 m-20 -52.88 -44.82 67.13 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.833 0.453 . . . . 0.0 110.109 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.912 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 94.5 mtt-85 -56.87 -52.98 62.99 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -177.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -54.58 -56.01 23.4 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -178.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -54.12 -43.01 70.11 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 173.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.788 ' HB3' ' O ' ' B' ' 41' ' ' ARG . 18.1 tpp180 -53.17 -49.83 65.84 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 123.526 0.73 . . . . 0.0 110.119 -177.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -59.61 -55.86 29.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 -176.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.975 ' O ' ' HB2' ' B' ' 50' ' ' ARG . 76.9 mtm180 -56.85 -35.61 69.06 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -174.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.552 ' C ' ' CD ' ' B' ' 47' ' ' GLU . 2.9 tm-20 -68.32 -56.42 8.64 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.34 -58.19 9.24 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -177.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -63.06 -47.07 84.54 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -175.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.975 ' HB2' ' O ' ' B' ' 46' ' ' ARG . 1.1 tmm_? -58.73 -56.84 16.94 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -176.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.72 -49.5 74.98 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 1.358 ' O ' ' CG ' ' B' ' 55' ' ' ARG . . . -56.27 -56.86 15.83 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.15 -55.34 34.24 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -178.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.75 -25.59 41.4 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 1.358 ' CG ' ' O ' ' B' ' 52' ' ' ALA . 6.2 ppt_? . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 . . . . . 0 N--CA 1.471 0.595 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.969 ' O ' ' HG2' ' B' ' 38' ' ' ARG . 74.2 p -141.47 173.57 11.37 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.198 0.999 . . . . 0.0 109.004 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.566 ' O ' ' HG2' ' B' ' 39' ' ' ARG . 19.0 tpp85 -59.97 -49.42 77.74 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -56.45 -52.96 62.71 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -176.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 1.236 ' O ' ' HB2' ' B' ' 41' ' ' ARG . . . -52.13 -43.81 64.19 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.969 ' HG2' ' O ' ' B' ' 34' ' ' THR . 31.0 mmt180 -59.03 -60.8 3.29 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 177.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' B' ' 35' ' ' ARG . 24.3 mmm180 -53.91 -61.65 2.17 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -177.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -55.41 -30.15 59.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 176.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 1.236 ' HB2' ' O ' ' B' ' 37' ' ' ALA . 56.5 ttt85 -70.86 -45.13 64.98 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.778 -175.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.72 ' O ' ' HG2' ' B' ' 46' ' ' ARG . 1.1 mpt_? -58.03 -57.75 11.46 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -177.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . 0.787 ' HA ' ' CG ' ' B' ' 46' ' ' ARG . 11.8 ptp180 -55.96 -31.54 63.07 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 -171.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 85.2 mtt-85 -57.82 -51.39 69.78 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 174.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' TRP . . . . . 0.687 ' O ' ' HB3' ' B' ' 48' ' ' ARG . 37.8 t90 -66.76 -34.19 77.28 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.787 ' CG ' ' HA ' ' B' ' 43' ' ' ARG . 20.9 mmm180 -55.79 -68.03 0.24 Allowed 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.569 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 87.9 tt0 -54.79 -30.02 55.87 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.687 ' HB3' ' O ' ' B' ' 45' ' ' TRP . 14.6 tpp180 -56.12 -60.11 3.95 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -65.09 -29.91 70.82 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.569 ' HB3' ' HA ' ' B' ' 47' ' ' GLU . 15.7 tpp180 -58.83 -54.93 41.59 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' B' ' 55' ' ' ARG . . . -56.08 -49.55 73.49 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.93 -50.29 71.15 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -56.07 24.46 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.65 -55.39 33.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' B' ' 51' ' ' ALA . 73.7 ttt-85 . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.2 p -83.9 178.76 7.76 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.707 ' O ' ' HG2' ' B' ' 39' ' ' ARG . 22.2 mtp-105 -55.55 -21.93 19.3 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 177.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.76 -43.06 98.5 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 123.388 0.675 . . . . 0.0 110.152 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.642 ' O ' ' HG2' ' B' ' 41' ' ' ARG . . . -54.74 -49.85 69.82 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -178.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -57.18 -31.81 65.81 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 1.139 ' O ' ' HB2' ' B' ' 43' ' ' ARG . 24.4 mmm180 -79.31 -40.68 29.79 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . 0.478 ' O ' ' HB3' ' B' ' 43' ' ' ARG . 67.7 m-20 -71.86 -71.78 0.26 Allowed 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -174.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.642 ' HG2' ' O ' ' B' ' 37' ' ' ALA . 40.0 ptt180 -64.07 -47.85 78.51 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 56.6 ttt-85 -46.83 -43.6 18.64 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.092 0.957 . . . . 0.0 110.338 174.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . 1.139 ' HB2' ' O ' ' B' ' 39' ' ' ARG . 6.1 tmm_? -54.96 -52.14 63.97 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 -61.18 -51.55 68.55 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 -177.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' TRP . . . . . 0.415 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 38.5 t90 -57.28 -14.03 3.94 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.53 HH22 HH11 ' B' ' 50' ' ' ARG . 0.2 OUTLIER -72.34 -57.76 3.94 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.728 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.828 ' OE1' ' HG3' ' B' ' 48' ' ' ARG . 1.3 pp20? -75.36 -27.28 59.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -177.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.828 ' HG3' ' OE1' ' B' ' 47' ' ' GLU . 95.9 mtt180 -62.4 -37.7 86.8 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 174.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.15 -49.3 78.4 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -178.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.722 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 17.1 ptm180 -64.5 -40.69 96.12 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.062 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.15 -45.25 75.66 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -175.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.72 -52.41 65.6 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.18 -56.2 23.51 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.25 -56.05 24.37 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.115 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.576 ' O ' ' HD3' ' B' ' 38' ' ' ARG . 81.5 p -142.07 177.17 8.4 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.151 0.98 . . . . 0.0 108.71 179.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 24.4 mtp-105 -59.2 -33.28 70.77 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -176.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -57.05 -51.79 67.84 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.48 -39.43 67.5 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.463 0.305 . . . . 0.0 110.212 -176.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.576 ' HD3' ' O ' ' B' ' 34' ' ' THR . 1.4 mpt_? -57.8 -63.75 1.14 Allowed 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -176.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' B' ' 43' ' ' ARG . 88.7 mtm-85 -57.93 -43.96 86.6 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -176.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . 0.432 ' O ' ' HB3' ' B' ' 43' ' ' ARG . 54.8 m-20 -55.57 -60.93 2.73 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -57.17 -52.46 65.23 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 176.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.454 ' HB3' ' HA ' ' B' ' 39' ' ' ARG . 58.5 ttt85 -52.49 -33.2 43.72 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.12 -179.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . 0.543 ' N ' ' O ' ' B' ' 39' ' ' ARG . 37.7 ttm180 -56.93 -45.16 82.93 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.678 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 1.0 OUTLIER -62.55 -47.8 82.29 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -177.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -57.79 -59.41 5.26 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -177.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -59.73 -50.61 73.16 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.524 ' C ' ' CD ' ' B' ' 47' ' ' GLU . 5.3 tm-20 -55.93 -48.9 74.89 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.678 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 1.1 tmm_? -55.22 -55.32 32.6 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -56.44 -36.95 69.61 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.497 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 61.9 ttm-85 -58.8 -52.55 65.22 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.58 -50.03 71.18 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.97 -55.71 29.43 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.32 -54.55 45.5 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.79 -53.84 51.73 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? . . . . . 0 N--CA 1.45 -0.444 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 -178.861 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -156.11 -177.0 6.26 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 1.241 ' O ' ' HG2' ' B' ' 39' ' ' ARG . 23.5 mtp-105 -56.46 -47.29 79.49 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -175.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.453 ' O ' ' HB2' ' B' ' 39' ' ' ARG . 30.0 mm100 -56.89 -50.26 73.05 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -176.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.569 ' O ' ' CB ' ' B' ' 41' ' ' ARG . . . -55.55 -55.79 27.82 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' B' ' 42' ' ' ARG . 94.1 mtt-85 -55.59 -35.98 66.4 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 1.241 ' HG2' ' O ' ' B' ' 35' ' ' ARG . 25.0 mmm180 -63.1 -70.79 0.19 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . 0.657 ' O ' ' HG2' ' B' ' 44' ' ' ARG . 20.2 p30 -62.35 -24.77 67.53 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -177.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.569 ' CB ' ' O ' ' B' ' 37' ' ' ALA . 39.2 ttm180 -75.74 -55.15 5.92 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 177.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' B' ' 38' ' ' ARG . 61.7 ttm-85 -56.02 -37.87 69.76 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -56.95 -41.04 77.54 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' B' ' 40' ' ' ASN . 29.1 mmt180 -60.06 -54.6 44.05 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 29.6 t90 -57.7 -51.25 70.31 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.075 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' B' ' 50' ' ' ARG . 56.1 ttp180 -62.84 -40.2 96.72 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -174.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 1.103 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 36.3 tt0 -70.99 -44.37 66.1 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -61.23 -50.03 74.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -56.88 -30.84 64.25 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 173.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 1.103 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 25.8 tpt180 -58.51 -55.07 39.85 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 123.958 0.903 . . . . 0.0 109.627 176.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.63 -53.04 62.62 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.64 -54.96 40.97 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.47 -50.94 70.27 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.71 -51.49 67.14 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 81.0 ttt180 . . . . . 0 N--CA 1.449 -0.494 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.572 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 . . . . . 0 N--CA 1.47 0.575 0 N-CA-C 110.726 -0.102 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 6.1 m -149.8 150.43 31.99 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -173.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.956 ' O ' ' HB2' ' B' ' 39' ' ' ARG . 23.6 mmt85 -52.2 -32.1 34.85 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 178.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -71.19 -61.46 1.76 Allowed 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.413 0.685 . . . . 0.0 109.695 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.67 -57.43 9.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.373 0.669 . . . . 0.0 110.139 -177.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 57.0 ttp85 -56.69 -52.95 62.96 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.956 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 13.3 tpt180 -52.73 -56.45 15.47 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.481 0.712 . . . . 0.0 109.76 -175.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -63.0 -49.76 73.41 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.89 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -60.65 -37.74 82.55 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -55.78 -46.38 77.95 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -176.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . 0.625 ' HG3' ' OE1' ' B' ' 47' ' ' GLU . 68.2 ttp85 -55.9 -34.95 66.02 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 1.268 ' O ' ' HG2' ' B' ' 48' ' ' ARG . 25.5 mmt180 -64.54 -48.54 74.68 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -177.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' TRP . . . . . 0.862 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 90.5 t90 -57.74 -54.37 47.7 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -177.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 40.2 mtm105 -57.5 -58.63 7.45 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -177.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.625 ' OE1' ' HG3' ' B' ' 43' ' ' ARG . 0.4 OUTLIER -54.87 -29.84 56.52 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.538 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 1.268 ' HG2' ' O ' ' B' ' 44' ' ' ARG . 22.4 mmm180 -55.75 -47.29 77.21 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -67.12 -36.99 83.08 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -173.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -58.74 -48.49 81.0 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.1 -52.53 63.98 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.98 -54.78 42.76 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.54 -55.61 32.57 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -178.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.54 -56.65 17.78 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 . . . . . 0 N--CA 1.45 -0.45 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 110.514 -0.18 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.649 ' O ' ' HB2' ' B' ' 38' ' ' ARG . 9.4 t -156.26 174.02 16.01 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.755 ' HB3' ' NH1' ' B' ' 39' ' ' ARG . 38.5 mtm105 -55.08 -46.35 75.46 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 122.631 0.372 . . . . 0.0 110.44 -174.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -60.07 -67.45 0.39 Allowed 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 1.23 ' O ' ' HG3' ' B' ' 41' ' ' ARG . . . -52.69 -25.21 10.3 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.736 ' O ' ' HB2' ' B' ' 41' ' ' ARG . 22.9 tpt180 -75.74 -54.88 6.25 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -177.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.755 ' NH1' ' HB3' ' B' ' 35' ' ' ARG . 88.8 mtm-85 -63.83 -40.88 97.66 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -54.71 -31.82 58.7 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 174.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 1.23 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 81.3 mtp180 -65.86 -44.92 83.99 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -67.12 -39.07 86.59 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -53.53 -46.76 70.28 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -174.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 1.23 ' O ' ' HG2' ' B' ' 48' ' ' ARG . 42.3 mtm105 -74.19 -34.03 63.63 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -176.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 14.1 t90 -59.93 -42.28 93.63 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -55.81 -71.69 0.08 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.449 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.456 ' C ' ' CD ' ' B' ' 47' ' ' GLU . 4.2 tm-20 -54.12 -43.09 70.17 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.341 -178.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 1.23 ' HG2' ' O ' ' B' ' 44' ' ' ARG . 7.9 mmm180 -52.7 -73.94 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.22 0.608 . . . . 0.0 110.194 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -58.24 -33.76 69.71 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -175.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -58.53 -46.78 86.1 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -177.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.08 -53.95 52.24 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.82 -53.4 57.83 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.35 -50.37 69.84 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.57 -54.03 49.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 . . . . . 0 N--CA 1.471 0.593 0 CA-C-O 120.403 0.144 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 40.3 m -152.82 149.56 28.43 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -172.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 24.5 mtp-105 -54.83 -47.45 74.08 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -178.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -52.75 -59.45 4.47 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 174.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.66 -36.63 67.28 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -57.21 -47.6 80.89 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' B' ' 43' ' ' ARG . 48.4 mmt-85 -64.16 -46.29 84.69 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . 0.566 ' O ' ' HG3' ' B' ' 44' ' ' ARG . 51.9 m-20 -56.36 -54.04 50.2 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 -176.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -65.66 -48.83 70.78 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -67.01 -43.71 82.18 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -175.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' B' ' 39' ' ' ARG . 27.1 ttp-105 -59.16 -34.72 72.43 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -175.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' B' ' 40' ' ' ASN . 84.1 mtm180 -71.82 -42.18 67.3 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 30.4 t90 -67.19 -40.01 86.47 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -55.72 -50.07 71.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -178.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.827 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 80.3 mm-40 -62.93 -30.72 71.77 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -54.31 48.09 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -178.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -57.45 -30.42 65.01 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 173.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.827 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 1.2 tmt_? -58.48 -59.67 5.0 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.409 0.684 . . . . 0.0 109.358 -179.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.01 -53.01 61.22 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.95 -53.12 60.65 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.79 -52.58 63.49 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.6 -53.98 49.77 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.314 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 110.573 -0.158 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -156.04 175.3 14.14 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.47 ' O ' ' HG3' ' B' ' 39' ' ' ARG . 78.2 mtt85 -55.39 -47.42 75.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -173.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -61.65 -65.07 0.75 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -178.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.579 ' O ' ' HG3' ' B' ' 41' ' ' ARG . . . -50.6 -31.0 14.68 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -69.91 -68.06 0.44 Allowed 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 175.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 84.3 mtp180 -51.01 -34.27 28.63 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.381 0.672 . . . . 0.0 110.596 -173.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . 0.571 ' O ' ' HB2' ' B' ' 44' ' ' ARG . 77.6 m-20 -63.16 -37.45 87.26 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.579 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 38.0 mtm105 -76.82 -49.73 15.12 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -179.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 1.187 ' O ' ' CB ' ' B' ' 46' ' ' ARG . 39.1 mmt180 -56.16 -46.45 79.31 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -64.05 -30.85 71.89 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.571 ' HB2' ' O ' ' B' ' 40' ' ' ASN . 22.0 tpp180 -70.36 -70.97 0.26 Allowed 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' TRP . . . . . 0.607 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 23.1 t90 -57.58 -39.93 77.86 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 1.187 ' CB ' ' O ' ' B' ' 42' ' ' ARG . 20.1 tpt180 -55.53 -66.85 0.35 Allowed 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.808 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 88.7 tt0 -55.06 -33.09 62.43 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 174.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.607 ' HB3' ' HA ' ' B' ' 45' ' ' TRP . 74.6 ttt-85 -59.15 -45.59 90.59 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 -177.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -57.68 -33.48 68.4 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 177.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.808 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 19.2 tpp180 -64.44 -52.07 59.91 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.9 -54.17 46.01 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -176.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' B' ' 55' ' ' ARG . . . -55.99 -51.71 66.76 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.453 ' C ' ' H ' ' B' ' 55' ' ' ARG . . . -59.45 -60.23 4.18 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.5 32.68 0.35 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ARG . . . . . 0.513 ' HB2' ' O ' ' B' ' 52' ' ' ALA . 54.2 ttp180 . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . 0.642 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 C4'-C3'-C2' 100.222 -2.478 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . 0.642 " H5'" " O2'" ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.2 0 C4'-C3'-C2' 100.079 -2.621 . 0.506 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 0.568 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.88 0 O4'-C1'-N19 111.567 3.367 . 0.609 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 1.063 HO2' " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 O4'-C1'-N19 111.64 3.44 . 0.591 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . 1.095 HO2' " C5'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.189 1 O4'-C1'-N19 112.29 4.09 . 0.594 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 1.288 " O2'" ' C8 ' ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 O4'-C1'-N19 111.936 3.736 . 0.535 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 1.288 ' C8 ' " O2'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.544 1 C5'-C4'-C3' 109.369 -4.088 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . 0.49 ' C8 ' ' HG2' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C5'-C4'-C3' 110.386 -3.409 . 0.707 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 0.652 " O2'" " H5'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.228 1 O4'-C1'-N19 113.145 4.945 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . 0.838 HO2' " H5'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 C4'-C3'-C2' 100.343 -2.357 . 0.497 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 0.838 " H5'" HO2' ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 O4'-C1'-N19 110.621 2.421 . 0.6 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C5'-C4'-C3' 111.122 -2.919 . 0.406 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ' G' . . . . . 0.838 ' H8 ' ' OP2' ' A' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 C4'-C3'-C2' 99.784 -2.916 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . 0.968 HO2' " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 O4'-C1'-N19 111.23 3.03 . 0.505 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ' G' . . . . . 0.968 " H5'" HO2' ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.741 0 C4'-C3'-C2' 100.187 -2.513 . 0.538 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ' C' . . . . . 0.746 " H5'" " H2'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.632 1 O4'-C1'-N19 113.439 5.239 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ' A' . . . . . 0.924 " H2'" ' C8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.301 0 C3'-C2'-C1' 104.191 2.99 . 0.254 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ' A' . . . . . 0.924 ' C8 ' " H2'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C5'-C4'-C3' 112.258 -2.162 . 0.503 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . 0.82 HO2' " H5'" ' A' ' 65' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C5'-C4'-C3' 111.098 -2.934 . 0.725 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ' C' . . . . . 0.82 " H5'" HO2' ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.915 0 O4'-C1'-N19 111.937 3.737 . 0.673 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . 0.732 ' OP2' ' HD2' ' B' ' 35' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 O4'-C1'-N19 111.584 3.384 . 0.586 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . 1.47 ' C8 ' " O5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 O4'-C1'-N19 111.247 3.047 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 O4'-C1'-N19 111.47 3.27 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . 1.032 HO2' " H5'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.053 1 O4'-C1'-N19 113.23 5.03 . 0.0 OUTLIER '7D dist 6j' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . 1.032 " H5'" HO2' ' A' ' 69' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 C5'-C4'-C3' 112.169 -2.221 . 0.616 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . 1.265 " H4'" " C5'" ' A' ' 72' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.844 0 C5'-C4'-C3' 111.144 -2.904 . 0.011 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . 1.265 " C5'" " H4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.617 1 O4'-C1'-N19 112.99 4.79 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . 0.968 " O2'" " H5'" ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C5'-C4'-C3' 110.907 -3.062 . 0.455 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . 1.442 ' C6 ' ' OP2' ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.296 1 O5'-C5'-C4' 115.81 4.007 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . 0.775 " H5'" HO2' ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 C4'-C3'-C2' 100.076 -2.624 . 0.686 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . 0.537 ' C2 ' ' C8 ' ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.991 0 C5'-C4'-C3' 111.644 -2.571 . 0.765 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . 0.552 " H2'" ' N3 ' ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.458 0 C5'-C4'-C3' 111.602 -2.599 . 0.852 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . 0.615 " H2'" ' C6 ' ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.588 1 O4'-C1'-N19 112.922 4.722 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . 0.615 ' C6 ' " H2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.972 1 P-O3'-C3' 127.43 6.442 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.7 p -87.39 174.16 8.7 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.732 ' HD2' ' OP2' ' A' ' 66' ' ' ' U' . 23.3 mtp-105 -59.83 -37.91 80.57 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 1.25 ' HB3' ' N7 ' ' A' ' 47' ' ' ' G' . 22.3 mp0 -71.08 -55.72 7.64 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.263 -0.644 . . . . 0.0 109.263 -176.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.703 ' O ' ' HG3' ' B' ' 41' ' ' ARG . . . -47.52 -46.69 27.76 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.859 0.864 . . . . 0.0 110.452 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' B' ' 35' ' ' ARG . 16.3 ptm180 -70.04 -48.37 58.19 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 1.342 ' NH1' ' HD3' ' B' ' 43' ' ' ARG . 29.2 tpt85 -55.35 -45.5 76.47 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . 0.452 ' HB3' ' N7 ' ' A' ' 46' ' ' ' G' . 71.6 m-20 -65.52 -50.85 63.7 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.703 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 83.8 mtp180 -60.98 -35.62 77.29 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' B' ' 38' ' ' ARG . 44.1 ttm180 -67.29 -46.25 74.17 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 -176.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 1.342 ' HD3' ' NH1' ' B' ' 39' ' ' ARG . 35.8 mtm105 -60.35 -21.86 62.58 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -175.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.924 ' NH2' ' O4 ' ' A' ' 45' ' ' ' U' . 26.4 mmt180 -70.97 -55.59 8.01 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 176.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 30.9 t90 -57.7 -41.23 81.25 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 172.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.834 ' HB3' ' HA ' ' B' ' 43' ' ' ARG . 20.9 tpt180 -55.71 -69.76 0.13 Allowed 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.736 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 1.181 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 4.6 tm-20 -60.42 -37.54 81.2 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.219 0.608 . . . . 0.0 110.176 -176.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -61.2 -53.28 58.88 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -58.46 -27.35 64.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.571 -0.899 . . . . 0.0 108.571 172.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 1.181 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 36.2 tpt85 -58.19 -55.08 39.58 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.909 0.884 . . . . 0.0 109.487 173.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . 0.708 ' O ' ' HG2' ' B' ' 55' ' ' ARG . . . -58.13 -51.81 68.16 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.29 64.67 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.65 -53.97 49.97 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.78 -55.43 32.48 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.708 ' HG2' ' O ' ' B' ' 51' ' ' ALA . 22.1 mmm180 . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . 0.42 ' C6 ' ' C5 ' ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 C4'-C3'-C2' 100.07 -2.63 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . 1.023 HO2' " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.778 0 C5'-C4'-C3' 111.001 -2.999 . 0.696 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 1.023 " H5'" HO2' ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.799 0 O4'-C1'-N19 111.392 3.192 . 0.631 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 0.514 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 O4'-C1'-N19 111.06 2.86 . 0.676 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . 1.109 ' H6 ' ' NH1' ' B' ' 44' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 O4'-C1'-N19 111.467 3.267 . 0.695 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 1.012 " H5'" " O2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.671 0 O4'-C1'-N19 111.15 2.95 . 0.404 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 0.865 ' C8 ' ' HG2' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C4'-C3'-C2' 100.132 -2.568 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . 0.726 " O3'" ' H6 ' ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C5'-C4'-C3' 110.024 -3.65 . 0.779 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 0.726 ' H6 ' " O3'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.314 1 O4'-C1'-N19 112.761 4.561 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . 0.731 HO2' " H5'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.216 0 C4'-C3'-C2' 100.174 -2.526 . 0.586 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 0.731 " H5'" HO2' ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 111.578 3.378 . 0.609 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . 0.767 " H2'" ' C8 ' ' A' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.957 0 C4'-C3'-C2' 100.187 -2.513 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ' G' . . . . . 0.885 " C3'" ' C6 ' ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 C4'-C3'-C2' 100.217 -2.483 . 0.579 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . 0.885 ' C6 ' " C3'" ' A' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.001 2 O4'-C1'-N19 113.247 5.047 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ' G' . . . . . 1.004 " O2'" ' N6 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.427 1 P-O3'-C3' 127.858 6.799 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ' C' . . . . . 1.313 " H4'" ' N7 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.199 1 O4'-C1'-N19 112.641 4.441 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ' A' . . . . . 1.313 ' N7 ' " H4'" ' A' ' 56' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.194 0 C4'-C3'-C2' 99.632 -3.068 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ' A' . . . . . 0.976 ' N6 ' " H1'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.862 0 C5'-C4'-C3' 111.962 -2.359 . 0.305 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . 0.954 " H5'" " O2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.77 0 C5'-C4'-C3' 111.518 -2.655 . 0.458 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ' C' . . . . . 0.632 " H2'" ' C6 ' ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.952 0 O4'-C1'-N19 111.643 3.443 . 0.768 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . 0.735 HO2' " H5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.878 0 O4'-C1'-N19 111.498 3.298 . 0.631 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . 1.252 ' H8 ' " O5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C5'-C4'-C3' 111.225 -2.85 . 0.011 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . 0.513 " H4'" " C5'" ' A' ' 69' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 O4'-C1'-N19 111.476 3.276 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . 1.286 ' H5 ' ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.86 1 O4'-C1'-N19 112.222 4.022 . 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . 0.914 " H3'" " H2'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.11 0 C4'-C3'-C2' 100.639 -2.061 . 0.748 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . 1.267 ' H8 ' ' OP1' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.762 0 O4'-C1'-N19 111.234 3.034 . 0.01 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . 0.569 " H3'" " H4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.643 1 O4'-C1'-N19 112.88 4.68 . 0.561 6p . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . 1.218 ' H62' ' NH1' ' B' ' 43' ' ' ARG . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 O5'-C5'-C4' 114.947 3.391 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . 0.901 HO2' " H5'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.108 0 O4'-C1'-N19 111.607 3.407 . 0.661 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . 0.901 " H5'" HO2' ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.055 0 C4'-C3'-C2' 100.19 -2.51 . 0.713 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . 0.917 HO2' " H5'" ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 C4'-C3'-C2' 100.158 -2.542 . 0.667 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . 0.923 HO2' " H5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.179 0 C4'-C3'-C2' 100.047 -2.653 . 0.586 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . 0.923 " H5'" HO2' ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.034 0 O4'-C1'-N19 111.757 3.557 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . 0.474 ' C6 ' " H2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.752 0 O4'-C1'-N19 112.097 3.897 . 0.41 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 . . . . . 0 N--CA 1.471 0.6 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 25.8 m -152.83 149.51 28.38 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -171.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.977 ' NH2' ' O6 ' ' A' ' 67' ' ' ' G' . 24.3 mtp-105 -52.43 -40.2 61.91 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -177.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.865 ' HG2' ' C8 ' ' A' ' 47' ' ' ' G' . 4.2 mp0 -65.93 -53.12 43.35 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 178.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.02 -52.29 61.28 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -178.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.688 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 99.9 mtt180 -58.71 -49.72 76.55 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 1.286 ' NH2' ' H5 ' ' A' ' 69' ' ' ' C' . 18.9 tpp85 -56.04 -59.37 5.01 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -57.88 -40.58 80.58 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 122.796 0.438 . . . . 0.0 110.131 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -63.14 -52.21 63.4 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.688 ' HG3' ' O ' ' B' ' 38' ' ' ARG . 99.5 mtt180 -55.36 -39.77 70.47 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -178.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 1.218 ' NH1' ' H62' ' A' ' 73' ' ' ' A' . 39.7 ttm180 -55.78 -57.14 13.29 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -177.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 1.109 ' NH1' ' H6 ' ' A' ' 45' ' ' ' U' . 90.1 mtm180 -56.79 -46.15 81.71 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -176.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' TRP . . . . . 0.847 ' O ' ' HB3' ' B' ' 48' ' ' ARG . 0.0 OUTLIER -60.43 -60.26 4.1 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.707 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -55.34 -30.25 59.89 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.602 0.761 . . . . 0.0 110.568 -166.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.33 -36.86 69.2 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 170.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.847 ' HB3' ' O ' ' B' ' 45' ' ' TRP . 15.4 tpp180 -61.52 -57.02 13.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.828 175.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -54.54 -44.38 72.79 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.826 0.45 . . . . 0.0 109.96 -174.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -63.21 -56.64 14.97 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.09 -51.21 68.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.98 -54.83 40.06 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.11 -56.99 14.13 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.45 -57.29 12.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.449 -0.507 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . 1.062 HO2' " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 C4'-C3'-C2' 99.961 -2.739 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . 1.062 " H5'" HO2' ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 C4'-C3'-C2' 100.288 -2.412 . 0.593 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 0.651 HO2' " H5'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.928 0 O4'-C1'-N19 111.514 3.314 . 0.613 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 0.651 " H5'" HO2' ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.873 1 O4'-C1'-N19 112.459 4.259 OUTLIER-EPSILON 0.552 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . 0.507 " H2'" ' C8 ' ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.243 1 P-O3'-C3' 127.326 6.355 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 1.476 " O2'" ' C8 ' ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.499 0 O4'-C1'-N19 112.157 3.957 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 1.476 ' C8 ' " O2'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 O4'-C1'-N19 109.974 1.774 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . 1.329 ' N7 ' ' OE1' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.424 -2.4 0 O4'-C1'-N19 112.158 3.958 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 1.09 ' H6 ' " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.306 1 O4'-C1'-N19 112.513 4.313 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . 0.7 " H2'" ' C6 ' ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 C4'-C3'-C2' 100.271 -2.429 . 0.44 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 0.7 ' C6 ' " H2'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.843 0 O4'-C1'-N19 111.866 3.666 . 0.451 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 C4'-C3'-C2' 100.333 -2.367 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 C4'-C3'-C2' 99.843 -2.857 . 0.626 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . 0.932 " O2'" " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 O4'-C1'-N19 111.845 3.645 . 0.602 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ' G' . . . . . 0.975 " H1'" ' N6 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.766 0 C4'-C3'-C2' 100.056 -2.644 . 0.638 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ' C' . . . . . 0.495 H5'' " H3'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.612 1 O4'-C1'-N19 113.375 5.175 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ' A' . . . . . 1.218 " O3'" ' C8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.301 0 C1'-O4'-C4' 106.199 -3.779 OUTLIER-DELTA 0.01 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ' A' . . . . . 1.218 ' C8 ' " O3'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 C5'-C4'-C3' 111.924 -2.384 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . 0.631 " O2'" " H5'" ' A' ' 65' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 C5'-C4'-C3' 111.888 -2.408 . 0.836 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ' C' . . . . . 0.631 " H5'" " O2'" ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.195 1 O4'-C1'-N19 112.506 4.306 . 0.628 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . 1.304 ' H5 ' ' NH1' ' B' ' 35' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 O4'-C1'-N19 110.964 2.764 . 0.585 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . 0.715 " H2'" ' C5 ' ' A' ' 69' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.019 0 C4'-C3'-C2' 100.156 -2.544 . 0.573 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . 0.452 ' C6 ' ' CH2' ' B' ' 45' ' ' TRP . . . . . . . . 0 O4'--C4' 1.42 -2.789 0 O4'-C1'-N19 111.94 3.74 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . 0.715 ' C5 ' " H2'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.003 1 O4'-C1'-N19 112.981 4.781 . 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . 1.317 ' N7 ' ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C5'-C4'-C3' 112.253 -2.164 . 0.547 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . 1.121 H5'' " H3'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 O4'-C1'-N19 112.044 3.844 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 1 O4'-C1'-N19 113.096 4.896 . 0.555 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . 0.444 ' C5 ' ' C5 ' ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 P-O3'-C3' 122.814 2.595 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . 0.473 " O2'" " H5'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 O4'-C1'-N19 112.136 3.936 . 0.606 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . 0.473 " H5'" " O2'" ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 C4'-C3'-C2' 100.278 -2.422 . 0.727 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . 0.412 ' C5 ' ' C6 ' ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 C5'-C4'-C3' 110.851 -3.099 . 0.65 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 0 C4'-C3'-C2' 100.278 -2.422 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . 0.977 HO2' " H5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.112 0 O4'-C1'-N19 111.999 3.799 . 0.654 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . 0.977 " H5'" HO2' ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.856 0 O4'-C1'-N19 112.065 3.865 . 0.569 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 110.577 -0.157 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 68.4 p -83.66 174.73 10.26 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 1.304 ' NH1' ' H5 ' ' A' ' 66' ' ' ' U' . 45.0 mmm-85 -60.2 -29.26 68.61 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 176.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 1.329 ' OE1' ' N7 ' ' A' ' 48' ' ' ' G' . 15.8 mm-40 -71.35 -46.54 60.26 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.011 -175.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.68 ' O ' ' HG3' ' B' ' 41' ' ' ARG . . . -51.88 -53.94 34.88 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.239 0.616 . . . . 0.0 110.117 -175.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.731 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 61.2 ttm-85 -56.88 -40.94 77.12 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 1.317 ' NH2' ' N7 ' ' A' ' 70' ' ' ' G' . 24.7 tpt180 -59.62 -44.83 93.31 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -177.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . 0.66 ' ND2' ' O ' ' B' ' 36' ' ' GLN . 9.6 m-80 -70.55 -42.41 71.18 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.68 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 82.1 mtp180 -55.32 -38.09 68.26 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.731 ' HG3' ' O ' ' B' ' 38' ' ' ARG . 93.2 mtt-85 -62.19 -42.89 99.7 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 0.711 HH12 ' CD ' ' B' ' 39' ' ' ARG . 61.0 mmt-85 -51.33 -35.18 36.88 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -178.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.747 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 0.9 OUTLIER -74.67 -56.62 4.6 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.198 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' TRP . . . . . 0.626 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 20.5 t90 -64.22 -48.87 74.2 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 122.758 0.423 . . . . 0.0 110.567 -176.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -56.86 -50.43 72.5 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -177.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.724 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 49.7 mt-10 -74.7 -28.16 60.69 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.747 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 15.0 tpp180 -55.53 -63.2 1.24 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -179.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -58.3 -29.74 66.09 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.724 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 15.8 tpp180 -58.77 -53.11 62.11 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.07 -52.42 65.59 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.98 -51.51 67.48 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.48 -52.58 63.16 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.02 -57.09 13.61 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.814 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 C4'-C3'-C2' 99.997 -2.703 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . 0.737 " C3'" ' C6 ' ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 C3'-C2'-C1' 103.361 2.068 . 0.633 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 0.737 ' C6 ' " C3'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.15 1 O4'-C1'-N19 112.547 4.347 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 0.667 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.192 0 O4'-C1'-N19 111.327 3.127 . 0.58 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . 0.667 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.157 1 O4'-C1'-N19 112.264 4.064 . 0.651 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 0.599 " O2'" ' C8 ' ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.595 1 O4'-C1'-N19 112.223 4.023 . 0.759 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 1.047 HO2' " H5'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.506 0 C5'-C4'-C3' 111.865 -2.423 . 0.038 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . 1.047 " H5'" HO2' ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.835 0 O4'-C1'-N19 110.548 2.348 . 0.308 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 1.046 H5'' " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.951 0 O4'-C1'-N19 112.129 3.929 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . 1.012 " H5'" HO2' ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 C3'-C2'-C1' 103.516 2.24 . 0.588 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 0.446 " O2'" " H5'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 O4'-C1'-N19 111.805 3.605 . 0.859 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . 0.446 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 C4'-C3'-C2' 100.649 -2.051 . 0.686 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 C5'-C4'-C3' 110.196 -3.536 . 0.528 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.234 0 O4'-C1'-N19 111.257 3.057 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.062 0 C4'-C3'-C2' 99.361 -3.339 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ' C' . . . . . 1.099 " H2'" ' C8 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.41 -3.615 2 O4'-C1'-N19 113.504 5.304 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ' A' . . . . . 1.237 " O3'" ' H8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.705 0 N19-C1'-C2' 108.18 -3.263 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ' A' . . . . . 1.237 ' H8 ' " O3'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 P-O3'-C3' 123.622 3.268 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.904 0 C5'-C4'-C3' 110.749 -3.167 . 0.671 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.047 0 C5'-C4'-C3' 110.377 -3.415 . 0.708 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . 0.909 HO2' " H5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 O4'-C1'-N19 111.675 3.475 . 0.75 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . 0.909 " H5'" HO2' ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 O4'-C1'-N19 110.074 1.874 . 0.393 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . 0.814 ' N3 ' ' HB2' ' B' ' 46' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 O4'-C1'-N19 111.231 3.031 . 0.019 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . 0.699 " O2'" " H5'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.103 1 O4'-C1'-N19 112.729 4.529 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . 0.901 ' C6 ' ' C6 ' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.052 0 C4'-C3'-C2' 100.281 -2.419 . 0.568 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . 1.073 " H4'" " H5'" ' A' ' 72' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.53 0 O4'-C1'-N19 112.136 3.936 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . 1.073 " H5'" " H4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.656 1 O4'-C1'-N19 112.758 4.558 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.118 0 C5'-C4'-C3' 111.112 -2.925 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 O4'-C1'-N19 111.816 3.616 . 0.643 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . 0.746 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 C4'-C3'-C2' 99.911 -2.789 . 0.23 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . 0.746 " H5'" " O2'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 C4'-C3'-C2' 100.421 -2.279 . 0.444 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 C4'-C3'-C2' 100.608 -2.092 . 0.843 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 O4'-C1'-N19 112.057 3.857 . 0.323 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.922 0 O4'-C1'-N19 112.018 3.818 . 0.43 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 . . . . . 0 N--CA 1.471 0.623 0 N-CA-C 110.625 -0.139 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.432 ' O ' ' N ' ' B' ' 38' ' ' ARG . 25.1 m -152.56 148.42 27.34 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -171.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 43.5 ttp85 -57.27 -40.45 77.75 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 -176.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.472 ' HB3' ' N7 ' ' A' ' 47' ' ' ' G' . 20.4 mp0 -59.09 -58.28 9.36 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 174.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.713 ' O ' ' HG2' ' B' ' 41' ' ' ARG . . . -55.01 -41.3 71.11 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' B' ' 42' ' ' ARG . 8.0 tpm_? -56.22 -51.11 69.28 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 -177.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.789 ' O ' ' HB2' ' B' ' 43' ' ' ARG . 31.5 ttm105 -70.17 -47.07 63.16 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -174.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . 0.861 ' O ' ' HB3' ' B' ' 43' ' ' ARG . 57.3 m-20 -54.78 -58.36 7.89 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.529 0.332 . . . . 0.0 110.414 -174.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.713 ' HG2' ' O ' ' B' ' 37' ' ' ALA . 40.2 ptt180 -70.2 -48.82 55.51 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -177.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.6 ' N ' ' HG3' ' B' ' 41' ' ' ARG . 57.7 ttp180 -55.86 -31.61 62.92 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 177.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 0.861 ' HB3' ' O ' ' B' ' 40' ' ' ASN . 72.1 ttt-85 -50.35 -39.91 47.75 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 123.564 0.745 . . . . 0.0 109.539 174.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 1.171 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 22.5 mmt180 -74.09 -26.98 60.67 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.103 -174.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' TRP . . . . . 0.658 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 11.4 t90 -71.07 -46.27 62.21 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 1.126 ' NH1' ' HG3' ' B' ' 50' ' ' ARG . 0.8 OUTLIER -57.08 -58.97 5.86 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.699 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.491 ' HA ' ' CB ' ' B' ' 50' ' ' ARG . 40.6 tt0 -71.12 -30.87 67.06 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 1.171 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 25.1 tpt180 -54.33 -73.69 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -62.24 -23.12 66.48 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 1.126 ' HG3' ' NH1' ' B' ' 46' ' ' ARG . 1.2 tmt_? -58.57 -58.55 8.04 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.9 -54.43 42.67 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.35 -51.91 66.51 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.37 -53.9 50.36 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.7 -48.92 74.3 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.381 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . 0.594 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 C4'-C3'-C2' 99.957 -2.743 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . 0.618 " H2'" ' C6 ' ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.677 1 C4'-C3'-C2' 98.573 -4.127 OUTLIER-EPSILON 0.418 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 0.618 ' C6 ' " H2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.034 1 P-O3'-C3' 126.939 6.033 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 0.509 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.087 0 O4'-C1'-N19 111.623 3.423 . 0.486 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . 0.817 " O2'" " H5'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 O4'-C1'-N19 111.141 2.941 . 0.652 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 1.511 HO2' ' ND2' ' B' ' 40' ' ' ASN . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 O4'-C1'-N19 112.198 3.998 . 0.575 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 1.372 " C2'" H5'' ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 O3'-P-O5' 97.035 -3.666 . 0.316 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . 1.438 ' C8 ' " H5'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.946 2 C5'-C4'-C3' 108.719 -4.52 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 1.051 " H5'" " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.196 1 O4'-C1'-N19 112.823 4.623 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . 1.004 " C3'" ' C6 ' ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.835 0 C3'-C2'-C1' 103.766 2.518 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 1.004 ' C6 ' " C3'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.182 1 O4'-C1'-N19 112.612 4.412 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . 0.759 HO2' " H5'" ' A' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.014 0 C4'-C3'-C2' 100.259 -2.441 . 0.595 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ' G' . . . . . 0.759 " H5'" HO2' ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 C4'-C3'-C2' 100.19 -2.51 . 0.716 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 O4'-C1'-N19 111.237 3.037 . 0.56 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ' G' . . . . . 0.799 " O2'" H5'' ' A' ' 56' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.063 0 C4'-C3'-C2' 99.628 -3.072 . 0.67 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ' C' . . . . . 1.407 " H2'" ' C8 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.961 1 O4'-C1'-N19 113.798 5.598 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ' A' . . . . . 1.407 ' C8 ' " H2'" ' A' ' 56' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C5'-C4'-C3' 110.77 -3.153 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ' A' . . . . . 0.901 ' C8 ' " H2'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C5'-C4'-C3' 112.184 -2.21 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . 0.585 " O4'" " H2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.263 0 C5'-C4'-C3' 111.37 -2.753 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.005 0 O4'-C1'-N19 111.894 3.694 . 0.442 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 0 O4'-C1'-N19 111.405 3.205 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . 1.159 ' H8 ' " O5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 O4'-C1'-N19 110.702 2.502 . 0.095 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . 0.78 " H3'" " H5'" ' A' ' 69' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 O4'-C1'-N19 110.708 2.508 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . 0.875 ' C5 ' " H2'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.106 1 O4'-C1'-N19 112.744 4.544 . 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . 0.972 ' C8 ' " O2'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.903 0 C4'-C3'-C2' 99.801 -2.899 . 0.507 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . 0.972 " O2'" ' C8 ' ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 O4'-C1'-N19 111.672 3.472 . 0.01 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . 0.937 " H5'" " H4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.747 1 O4'-C1'-N19 112.848 4.648 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . 1.325 ' C8 ' ' NH2' ' B' ' 43' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 C4'-C3'-C2' 100.16 -2.54 . 0.0 OUTLIER '7D dist 0a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.025 0 O4'-C1'-N19 111.9 3.7 . 0.517 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . 0.409 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.192 0 C4'-C3'-C2' 100.176 -2.524 . 0.684 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . 0.409 " H5'" " O2'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 C4'-C3'-C2' 99.708 -2.992 . 0.575 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . 1.237 ' H8 ' ' OP2' ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.259 0 O5'-C5'-C4' 115.381 3.7 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . 0.589 " O2'" " H5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 O4'-C1'-N19 111.599 3.399 . 0.613 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . 0.589 " H5'" " O2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 O4'-C1'-N19 112.199 3.999 . 0.456 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.832 ' OD1' ' NH2' ' B' ' 41' ' ' ARG . 13.2 t70 . . . . . 0 N--CA 1.471 0.583 0 CA-C-O 120.769 0.318 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 67.0 p -84.01 175.03 9.82 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.775 ' NH2' ' N7 ' ' A' ' 67' ' ' ' G' . 23.6 mtp-105 -54.72 -32.22 59.34 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 178.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -67.13 -52.71 38.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.62 -46.66 49.61 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.22 0.608 . . . . 0.0 110.085 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' B' ' 42' ' ' ARG . 99.2 mtt180 -57.95 -51.85 67.92 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 177.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.97 ' NH2' ' N7 ' ' A' ' 70' ' ' ' G' . 58.4 ttt85 -64.28 -44.5 91.5 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -176.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . 1.511 ' ND2' HO2' ' A' ' 46' ' ' ' G' . 73.9 m-20 -54.48 -42.73 71.03 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.918 ' O ' ' HB3' ' B' ' 44' ' ' ARG . 89.7 mtm180 -74.97 -36.59 62.05 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 174.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.68 ' NH1' ' C5 ' ' A' ' 68' ' ' ' A' . 15.1 tpp180 -58.09 -58.72 7.19 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 1.325 ' NH2' ' C8 ' ' A' ' 73' ' ' ' A' . 71.1 mtp180 -52.04 -30.19 24.5 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 172.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.95 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 16.9 tpp180 -62.04 -47.76 83.28 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.859 -175.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' TRP . . . . . 0.407 ' O ' ' CB ' ' B' ' 49' ' ' GLN . 81.3 t90 -57.79 -43.21 85.44 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -178.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -67.16 -62.61 1.34 Allowed 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -176.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.678 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 50.7 mt-10 -55.0 -43.94 74.05 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.95 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 0.7 OUTLIER -60.68 -56.6 19.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -179.693 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.407 ' CB ' ' O ' ' B' ' 45' ' ' TRP . 11.7 tp-100 -59.07 -27.05 65.16 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.678 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 16.0 tpp180 -58.61 -50.07 75.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -178.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.12 -54.05 49.73 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.06 -51.25 68.5 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.54 -55.65 29.46 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.87 -56.5 19.91 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -179.661 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . 0.775 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.211 0 C4'-C3'-C2' 100.066 -2.634 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . 1.086 HO2' " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.06 0 C4'-C3'-C2' 100.283 -2.417 . 0.459 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 1.086 " H5'" HO2' ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 O4'-C1'-N19 110.988 2.788 . 0.614 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 0.503 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.118 0 O4'-C1'-N19 111.086 2.886 . 0.584 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . 0.537 " H2'" ' C8 ' ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.843 0 O4'-C1'-N19 111.215 3.015 . 0.613 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 0.537 ' C8 ' " H2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.304 1 O4'-C1'-N19 113.684 5.484 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 1.579 ' H8 ' ' P ' ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 N19-C1'-C2' 109.513 -2.429 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . 1.379 ' C8 ' " H2'" ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.085 2 C1'-O4'-C4' 105.194 -4.896 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 1.333 ' C6 ' " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.276 1 O4'-C1'-N19 112.814 4.614 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . 0.462 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C4'-C3'-C2' 100.416 -2.284 . 0.586 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 1.11 HO2' " H5'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.23 1 O4'-C1'-N19 112.341 4.141 . 0.676 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . 1.11 " H5'" HO2' ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 C4'-C3'-C2' 100.425 -2.275 . 0.611 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C5'-C4'-C3' 109.677 -3.882 . 0.314 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . 1.068 HO2' " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 111.833 3.633 . 0.685 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ' G' . . . . . 1.192 " O2'" ' N6 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 C4'-C3'-C2' 100.088 -2.612 . 0.595 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.784 1 O4'-C1'-N19 113.396 5.196 . 0.0 OUTLIER '7D dist 1o' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ' A' . . . . . 1.192 ' N6 ' " O2'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 C5'-C4'-C3' 112.431 -2.046 . 0.056 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ' A' . . . . . 0.915 ' C8 ' " H2'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.703 0 C5'-C4'-C3' 112.217 -2.189 . 0.252 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . 0.843 " H5'" HO2' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 O4'-C1'-N19 110.953 2.753 . 0.392 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.952 1 O4'-C1'-N19 112.956 4.756 . 0.156 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.869 0 O4'-C1'-N19 111.432 3.232 . 0.729 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . 0.518 ' N7 ' ' NH2' ' B' ' 35' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 C3'-C2'-C1' 103.614 2.349 . 0.607 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.767 0 O4'-C1'-N19 111.893 3.693 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . 0.782 " O2'" " H5'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.121 1 O4'-C1'-N19 112.664 4.464 . 0.013 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . 0.782 " H5'" " O2'" ' A' ' 69' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.896 0 C3'-C2'-C1' 104.284 3.094 . 0.601 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . 1.21 HO2' ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.71 1 P-O3'-C3' 124.983 4.403 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . 0.949 " C5'" " H4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.674 1 O4'-C1'-N19 112.764 4.564 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 C5'-C4'-C3' 111.016 -2.989 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 O4'-C1'-N19 111.633 3.433 . 0.604 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . 0.553 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 C4'-C3'-C2' 99.792 -2.908 . 0.186 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . 0.553 " H5'" " O2'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 C4'-C3'-C2' 100.432 -2.268 . 0.435 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . 0.473 " O2'" " H5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 C4'-C3'-C2' 100.166 -2.534 . 0.56 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . 0.543 " O2'" " H5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 O4'-C1'-N19 111.903 3.703 . 0.607 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . 0.543 " H5'" " O2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.704 1 O4'-C1'-N19 112.203 4.003 . 0.455 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 . . . . . 0 N--CA 1.471 0.595 0 N-CA-C 110.589 -0.152 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 52.9 p -83.81 171.41 13.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.518 ' NH2' ' N7 ' ' A' ' 67' ' ' ' G' . 25.9 mtp-105 -60.29 -33.88 72.97 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.627 ' HG2' ' C8 ' ' A' ' 48' ' ' ' G' . 4.1 mp0 -65.34 -50.84 64.09 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 1.02 ' O ' ' HB2' ' B' ' 41' ' ' ARG . . . -55.66 -40.73 72.64 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.801 ' O ' ' HG2' ' B' ' 42' ' ' ARG . 84.4 mtp180 -70.12 -44.75 68.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 176.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 1.21 ' NH2' HO2' ' A' ' 71' ' ' ' G' . 24.4 tpt180 -58.68 -62.92 1.5 Allowed 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . 1.29 ' ND2' ' O6 ' ' A' ' 47' ' ' ' G' . 48.1 m-20 -53.21 -36.79 61.38 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 173.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 1.02 ' HB2' ' O ' ' B' ' 37' ' ' ALA . 69.7 ttt-85 -57.02 -50.34 73.01 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 1.293 ' CB ' ' NH2' ' B' ' 46' ' ' ARG . 31.9 mmt180 -67.25 -36.02 80.75 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 0.678 ' HB3' ' O ' ' B' ' 40' ' ' ASN . 4.2 tpm_? -48.58 -46.42 39.25 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.383 1.073 . . . . 0.0 109.924 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 94.3 mtt-85 -73.91 -44.01 56.57 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.312 -173.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -63.08 -34.32 77.34 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 122.719 0.408 . . . . 0.0 110.186 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 1.293 ' NH2' ' CB ' ' B' ' 42' ' ' ARG . 4.1 tpp180 -55.81 -64.42 0.86 Allowed 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -59.62 -43.17 93.9 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.83 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 1.6 tmm_? -54.37 -54.01 46.33 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 -177.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -55.07 -43.54 73.96 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 122.77 0.428 . . . . 0.0 110.115 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' B' ' 46' ' ' ARG . 30.1 mmt180 -58.9 -56.41 22.58 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -177.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' B' ' 55' ' ' ARG . . . -55.6 -47.42 76.53 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -177.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.16 -54.92 22.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.36 -51.74 65.79 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.81 -57.58 11.43 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' B' ' 51' ' ' ALA . 77.2 mtp180 . . . . . 0 N--CA 1.45 -0.458 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . 0.844 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 C4'-C3'-C2' 99.996 -2.704 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . 1.029 HO2' " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 C4'-C3'-C2' 100.194 -2.506 . 0.459 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 1.029 " H5'" HO2' ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 O4'-C1'-N19 111.002 2.802 . 0.612 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 1.035 HO2' " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.179 0 O4'-C1'-N19 111.384 3.184 . 0.563 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . 1.066 " O2'" " H5'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.256 1 O4'-C1'-N19 112.249 4.049 . 0.688 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 1.066 " H5'" " O2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C5'-C4'-C3' 111.967 -2.355 . 0.36 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 1.052 ' O6 ' ' N1 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.196 0 C4'-C3'-C2' 99.852 -2.848 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . 1.061 ' N7 ' ' NE2' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C5'-C4'-C3' 110.565 -3.29 . 0.733 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 0.971 ' H6 ' " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.251 1 O4'-C1'-N19 112.546 4.346 . 0.018 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . 0.812 " H2'" ' C6 ' ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.007 0 O4'-C1'-N19 110.444 2.244 . 0.427 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 0.812 ' C6 ' " H2'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 O4'-C1'-N19 112.075 3.875 . 0.039 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . 1.398 ' C8 ' ' OP2' ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 O5'-C5'-C4' 115.351 3.68 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ' G' . . . . . 0.73 " H5'" HO2' ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 C4'-C3'-C2' 100.121 -2.579 . 0.633 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . 0.693 " H5'" HO2' ' A' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.236 0 O4'-C1'-N19 111.751 3.551 . 0.623 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ' G' . . . . . 0.712 " C2'" " H5'" ' A' ' 56' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 C4'-C3'-C2' 100.069 -2.631 . 0.709 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ' C' . . . . . 0.712 " H5'" " C2'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.693 1 O4'-C1'-N19 112.947 4.747 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ' A' . . . . . 1.046 " C3'" ' C8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.911 0 C3'-C2'-C1' 104.29 3.1 . 0.507 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ' A' . . . . . 1.046 ' C8 ' " C3'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.862 0 C5'-C4'-C3' 111.866 -2.423 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.431 0 C1'-O4'-C4' 107.384 -2.462 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ' C' . . . . . 0.817 " H2'" ' C6 ' ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.869 0 O4'-C1'-N19 112.03 3.83 . 0.394 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . 1.149 " O2'" " H5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 O4'-C1'-N19 111.743 3.543 . 0.512 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . 1.149 " H5'" " O2'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C5'-C4'-C3' 111.129 -2.914 OUTLIER-DELTA 0.197 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . 1.482 ' C2 ' ' HG2' ' B' ' 46' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 C5'-C4'-C3' 109.575 -3.95 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . 0.629 " O2'" " H5'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.267 1 O4'-C1'-N19 112.967 4.767 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . 1.031 " H3'" H5'' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 C4'-C3'-C2' 100.295 -2.405 . 0.53 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . 1.031 H5'' " H3'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 O4'-C1'-N19 112.13 3.93 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . 0.73 ' OP2' ' HG3' ' B' ' 43' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.694 1 O4'-C1'-N19 112.6 4.4 . 0.56 6p . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . 1.052 ' N1 ' ' O6 ' ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.425 0 C1'-O4'-C4' 106.726 -3.193 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . 0.458 ' C5 ' ' C5 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.718 0 O4'-C1'-N19 111.99 3.79 . 0.385 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . 1.004 HO2' " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 C4'-C3'-C2' 100.234 -2.466 . 0.702 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . 1.004 " H5'" HO2' ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.217 0 C4'-C3'-C2' 100.107 -2.593 . 0.62 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . 0.521 ' N7 ' ' C6 ' ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.902 0 C5'-C4'-C3' 110.875 -3.084 . 0.315 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . 0.961 HO2' " H5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 O4'-C1'-N19 112.198 3.998 . 0.493 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . 0.961 " H5'" HO2' ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.745 1 O4'-C1'-N19 112.388 4.188 . 0.492 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 . . . . . 0 N--CA 1.471 0.607 0 CA-C-O 120.555 0.217 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 33.2 m -153.88 148.87 26.72 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -171.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.871 ' NH2' ' O6 ' ' A' ' 67' ' ' ' G' . 72.0 ttt-85 -49.76 -25.46 3.04 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.46 0.704 . . . . 0.0 109.937 -175.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 1.061 ' NE2' ' N7 ' ' A' ' 48' ' ' ' G' . 29.3 mm100 -71.33 -57.82 4.1 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.02 -45.29 61.19 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.34 0.656 . . . . 0.0 110.674 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -55.81 -63.06 1.3 Allowed 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -44.04 64.72 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.928 0.491 . . . . 0.0 109.893 -177.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -61.76 -41.68 98.0 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -75.07 -52.97 9.71 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -53.84 -48.94 69.46 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 0.73 ' HG3' ' OP2' ' A' ' 72' ' ' ' U' . 57.4 ttp180 -58.64 -58.01 10.46 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.932 ' NH2' ' C5 ' ' A' ' 45' ' ' ' U' . 61.9 ttm-85 -55.57 -43.56 76.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.861 -177.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 28.5 t90 -58.31 -48.41 80.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -175.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 1.482 ' HG2' ' C2 ' ' A' ' 68' ' ' ' A' . 88.7 mtm180 -58.59 -56.25 24.62 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 -177.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.484 ' HA ' ' CB ' ' B' ' 50' ' ' ARG . 12.2 mm-40 -56.23 -38.63 71.33 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -178.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 1.4 tmm_? -59.92 -52.25 66.22 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -65.96 -33.84 76.74 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' B' ' 46' ' ' ARG . 1.2 tmt_? -58.38 -57.6 12.21 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.96 -53.36 56.64 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.61 -46.64 80.8 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.51 -3.54 15.09 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 119.604 -0.236 . . . . 0.0 110.936 -175.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.14 57.15 0.15 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.427 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.416 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.062 0 C5'-C4'-C3' 111.212 -2.859 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . 0.991 HO2' " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C5'-C4'-C3' 111.372 -2.752 . 0.79 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 0.991 " H5'" HO2' ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.017 0 O4'-C1'-N19 111.523 3.323 . 0.668 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 0.416 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.17 0 O4'-C1'-N19 111.462 3.262 . 0.608 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . 0.731 " O2'" " H5'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.244 0 O4'-C1'-N19 110.875 2.675 . 0.688 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 1.298 " O2'" ' ND2' ' B' ' 40' ' ' ASN . . . . . . . . 0 O4'--C4' 1.421 -2.641 1 O4'-C1'-N19 112.382 4.182 . 0.588 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 0.721 ' H8 ' " O5'" ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 P-O3'-C3' 123.251 2.959 . 0.376 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . 0.852 ' N7 ' ' OE1' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.419 -2.842 0 O4'-C1'-N19 110.464 2.264 . 0.725 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 0.704 H5'' " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.853 1 O4'-C1'-N19 112.262 4.062 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . 0.782 ' H8 ' " O5'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C5'-C4'-C3' 112.197 -2.202 . 0.339 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 1.269 ' OP2' ' C6 ' ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.243 0 O4'-C1'-N19 112.167 3.967 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . 0.729 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 C4'-C3'-C2' 100.162 -2.538 . 0.485 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.753 0 C5'-C4'-C3' 111.188 -2.875 . 0.753 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . 0.768 HO2' " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.288 0 O4'-C1'-N19 111.916 3.716 . 0.391 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ' G' . . . . . 0.768 " H5'" HO2' ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.055 0 C4'-C3'-C2' 99.438 -3.262 . 0.654 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ' C' . . . . . 0.915 HO2' " C5'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.41 -3.577 1 O4'-C1'-N19 113.34 5.14 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ' A' . . . . . 1.02 HO2' " H5'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 O4'-C1'-N19 110.862 2.662 . 0.113 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ' A' . . . . . 1.02 " H5'" HO2' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.899 0 C5'-C4'-C3' 112.099 -2.268 . 0.151 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . 0.854 HO2' " H5'" ' A' ' 65' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C5'-C4'-C3' 110.974 -3.017 . 0.703 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ' C' . . . . . 0.854 " H5'" HO2' ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.131 0 O4'-C1'-N19 111.949 3.749 . 0.661 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . 0.798 " O2'" " H5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.209 0 O4'-C1'-N19 110.838 2.638 . 0.636 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . 0.798 " H5'" " O2'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.255 0 C3'-C2'-C1' 103.599 2.332 . 0.531 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . 0.509 ' OP2' " H5'" ' A' ' 69' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 O4'-C1'-N19 111.534 3.334 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . 0.867 ' N4 ' HH12 ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.905 0 O4'-C1'-N19 112.135 3.935 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . 0.966 ' N7 ' ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 C4'-C3'-C2' 100.49 -2.21 . 0.642 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . 0.851 ' C4 ' " H1'" ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 O4'-C1'-N19 111.65 3.45 . 0.016 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . 0.432 " H3'" " H4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.638 1 O4'-C1'-N19 112.674 4.474 . 0.691 6p . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . 0.851 " H1'" ' C4 ' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.832 0 C5'-C4'-C3' 110.994 -3.004 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . 0.459 ' C6 ' ' C4 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.798 1 P-O3'-C3' 124.695 4.162 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . 0.713 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 C4'-C3'-C2' 100.3 -2.4 . 0.735 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . 1.09 ' C6 ' ' N7 ' ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C4'-C3'-C2' 100.297 -2.403 . 0.574 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . 1.09 ' N7 ' ' C6 ' ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.923 0 C5'-C4'-C3' 110.733 -3.178 . 0.163 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . 1.085 " H5'" HO2' ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.702 1 O4'-C1'-N19 112.279 4.079 . 0.502 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . 0.656 ' H6 ' " O5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.715 1 O4'-C1'-N19 112.341 4.141 . 0.476 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.471 0.585 0 CA-C-O 120.503 0.192 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 87.4 m -156.02 152.88 28.64 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -171.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.646 ' NH1' ' H5 ' ' A' ' 66' ' ' ' U' . 20.1 tpp85 -51.61 -49.98 61.12 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 -178.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.852 ' OE1' ' N7 ' ' A' ' 48' ' ' ' G' . 33.6 mm-40 -59.29 -56.04 27.2 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' B' ' 41' ' ' ARG . . . -53.74 -48.34 69.75 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -178.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 -60.36 -53.21 60.37 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.966 ' NH2' ' N7 ' ' A' ' 70' ' ' ' G' . 12.2 tpt180 -57.04 -52.78 63.92 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . 1.298 ' ND2' " O2'" ' A' ' 46' ' ' ' G' . 64.8 m-20 -62.83 -50.89 69.18 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.472 ' CB ' ' O ' ' B' ' 37' ' ' ALA . 35.6 ttm180 -59.24 -48.55 81.2 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.545 ' O ' ' HB2' ' B' ' 46' ' ' ARG . 70.0 ttp85 -53.67 -27.98 30.78 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 0.981 ' CG ' HH21 ' B' ' 44' ' ' ARG . 2.3 tpp180 -56.87 -45.58 82.39 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.981 HH21 ' CG ' ' B' ' 43' ' ' ARG . 5.9 mmp_? -59.8 -61.41 2.63 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' TRP . . . . . 0.442 ' CH2' ' C6 ' ' A' ' 68' ' ' ' A' . 34.7 t90 -57.88 -49.26 77.31 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.131 -177.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.666 HH12 ' CG ' ' B' ' 50' ' ' ARG . 0.2 OUTLIER -59.53 -54.79 42.44 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -176.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -66.49 -32.17 73.37 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.704 ' NH2' ' OP1' ' A' ' 43' ' ' ' U' . 14.5 tpp180 -55.25 -65.73 0.54 Allowed 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -176.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -58.77 -28.22 65.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.666 ' CG ' HH12 ' B' ' 46' ' ' ARG . 0.4 OUTLIER -58.89 -53.72 55.23 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.645 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.04 -45.38 90.91 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.67 ' O ' ' HB3' ' B' ' 55' ' ' ARG . . . -56.5 -44.95 81.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 -175.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.07 -50.89 68.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -176.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.06 -40.4 73.49 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.67 ' HB3' ' O ' ' B' ' 52' ' ' ALA . 22.2 tpt180 . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 0 C4'-C3'-C2' 100.12 -2.58 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . 0.961 HO2' " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -3.009 0 C5'-C4'-C3' 112.022 -2.319 . 0.913 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 0.961 " H5'" HO2' ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.005 0 O4'-C1'-N19 110.887 2.687 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 0.436 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -3.022 0 O4'-C1'-N19 111.415 3.215 . 0.57 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . 1.225 " O2'" " H5'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.408 0 O4'-C1'-N19 111.136 2.936 . 0.663 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 1.225 " H5'" " O2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.542 0 O4'-C1'-N19 110.944 2.744 . 0.355 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 1.114 ' N7 ' ' HG3' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 C4'-C3'-C2' 100.447 -2.253 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . 0.934 " H5'" " O2'" ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 C5'-C4'-C3' 111.048 -2.968 . 0.468 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 0.746 HO2' " H5'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.281 1 O4'-C1'-N19 112.529 4.329 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . 0.746 " H5'" HO2' ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.714 1 C4'-C3'-C2' 98.638 -4.062 OUTLIER-EPSILON 0.514 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 0.532 " H2'" ' C8 ' ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.054 1 P-O3'-C3' 127.178 6.232 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . 0.966 HO2' " H5'" ' A' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.815 0 C5'-C4'-C3' 112.247 -2.169 . 0.519 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ' G' . . . . . 0.966 " H5'" HO2' ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.952 0 C4'-C3'-C2' 100.329 -2.371 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . 1.056 " O2'" " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 O4'-C1'-N19 112.153 3.953 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ' G' . . . . . 1.056 " H5'" " O2'" ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.411 -3.485 0 C4'-C3'-C2' 99.55 -3.15 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ' C' . . . . . 0.423 " H3'" ' H8 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.756 1 O4'-C1'-N19 113.077 4.877 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ' A' . . . . . 0.693 " H2'" ' C8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 C3'-C2'-C1' 104.731 3.59 . 0.139 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ' A' . . . . . 1.282 HO2' " C5'" ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.926 0 C5'-C4'-C3' 111.003 -2.998 . 0.12 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . 1.282 " C5'" HO2' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.99 0 P-O3'-C3' 122.808 2.59 . 0.32 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.082 0 O4'-C1'-N19 111.86 3.66 . 0.862 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . 0.936 " O2'" " H5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.897 0 O4'-C1'-N19 111.696 3.496 . 0.74 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . 0.936 " H5'" " O2'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 O4'-C1'-N19 111.938 3.738 OUTLIER-DELTA 0.128 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . 0.447 ' C6 ' ' CH2' ' B' ' 45' ' ' TRP . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 O4'-C1'-N19 112.095 3.895 . 0.091 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . 0.859 ' H5 ' ' NH1' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.647 2 O4'-C1'-N19 113.567 5.367 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . 1.536 ' C6 ' ' C6 ' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.034 1 P-O3'-C3' 127.041 6.118 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . 1.536 ' C6 ' ' C6 ' ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 O4'-C1'-N19 110.916 2.716 . 0.258 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . 0.645 H5'' " H4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.694 1 O4'-C1'-N19 112.758 4.558 . 0.457 6p . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . 0.774 ' C8 ' " O4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.255 0 C4'-C3'-C2' 99.936 -2.764 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . 0.881 ' N4 ' HH22 ' B' ' 43' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -3.015 0 O4'-C1'-N19 111.465 3.265 . 0.567 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . 0.58 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 C4'-C3'-C2' 100.28 -2.42 . 0.664 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . 0.58 " H5'" " O2'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C4'-C3'-C2' 100.288 -2.412 . 0.521 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . 0.862 HO2' " H5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 C5'-C4'-C3' 110.834 -3.111 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . 0.862 " H5'" HO2' ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 O4'-C1'-N19 112.068 3.868 . 0.561 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.003 0 O4'-C1'-N19 111.863 3.663 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 . . . . . 0 N--CA 1.47 0.567 0 CA-C-O 120.556 0.217 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.53 ' O ' ' N ' ' B' ' 38' ' ' ARG . 53.4 m -153.44 152.62 31.22 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -172.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 23.9 mtp-105 -47.38 -53.72 13.09 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 123.865 0.866 . . . . 0.0 109.335 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 1.114 ' HG3' ' N7 ' ' A' ' 47' ' ' ' G' . 7.4 tp-100 -56.36 -53.97 51.01 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.302 -179.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.491 ' HB1' " H3'" ' A' ' 46' ' ' ' G' . . . -60.05 -43.3 95.48 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 176.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' B' ' 34' ' ' THR . 7.3 tpm_? -55.99 -57.93 10.05 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.859 ' NH1' ' H5 ' ' A' ' 69' ' ' ' C' . 74.0 mtp85 -57.75 -51.25 70.34 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -176.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . 0.914 ' ND2' ' N7 ' ' A' ' 47' ' ' ' G' . 67.2 m-20 -57.17 -45.91 83.24 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -64.26 -41.11 97.1 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' B' ' 46' ' ' ARG . 68.4 ttp85 -66.87 -35.66 80.53 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -174.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 0.881 HH22 ' N4 ' ' A' ' 74' ' ' ' C' . 7.2 tmm_? -64.39 -17.95 64.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -176.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.878 ' O ' ' CB ' ' B' ' 48' ' ' ARG . 29.1 mmt180 -72.0 -59.1 2.92 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 172.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' TRP . . . . . 0.464 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 43.2 t90 -58.24 -36.99 74.02 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 174.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.921 ' NH2' ' OP2' ' A' ' 70' ' ' ' G' . 78.2 ttt180 -55.58 -79.68 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.768 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 4.5 tm-20 -53.95 -36.76 63.17 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -178.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.878 ' CB ' ' O ' ' B' ' 44' ' ' ARG . 24.2 tpt180 -48.56 -61.12 2.18 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.955 0.902 . . . . 0.0 110.132 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -74.14 -14.67 61.0 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.768 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 16.6 tpp180 -58.88 -40.65 85.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 174.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.3 -44.01 76.4 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.59 -52.19 65.75 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.48 -52.29 65.99 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.69 -54.88 38.84 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 61.7 ttm-85 . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.323 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . 0.798 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.108 0 C4'-C3'-C2' 100.206 -2.494 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . 1.074 HO2' " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 C4'-C3'-C2' 100.192 -2.508 . 0.462 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 1.074 " H5'" HO2' ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.059 0 O4'-C1'-N19 111.236 3.036 . 0.599 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 0.777 " H5'" HO2' ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 O4'-C1'-N19 111.473 3.273 . 0.544 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . 0.962 " O2'" " H5'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 O4'-C1'-N19 111.114 2.914 . 0.564 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 0.962 " H5'" " O2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 O4'-C1'-N19 110.38 2.18 . 0.512 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 1.039 ' C8 ' ' HB3' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.414 -3.238 0 C4'-C3'-C2' 100.266 -2.434 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . 0.808 " O2'" " H5'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 C3'-C2'-C1' 104.127 2.918 . 0.528 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 0.908 ' H41' HH12 ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.172 1 O4'-C1'-N19 112.413 4.213 . 0.542 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C5'-C4'-C3' 112.172 -2.219 . 0.771 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 0.744 " O2'" " H5'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 O4'-C1'-N19 111.837 3.637 . 0.354 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . 0.744 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.06 0 C4'-C3'-C2' 100.315 -2.385 . 0.64 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ' G' . . . . . 0.456 " H5'" " O2'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 C4'-C3'-C2' 99.937 -2.763 . 0.623 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . 0.596 " O2'" " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.339 0 O4'-C1'-N19 110.881 2.681 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ' G' . . . . . 0.827 " H2'" ' OP2' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C5'-C4'-C3' 111.905 -2.397 . 0.466 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ' C' . . . . . 1.124 " O2'" " H5'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.139 1 O4'-C1'-N19 113.702 5.502 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ' A' . . . . . 1.124 " H5'" " O2'" ' A' ' 56' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 O4'-C1'-N19 111.559 3.359 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ' A' . . . . . 1.054 " H5'" HO2' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.783 0 C5'-C4'-C3' 112.417 -2.055 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . 1.04 HO2' " H5'" ' A' ' 65' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.703 0 C5'-C4'-C3' 112.091 -2.273 . 0.559 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ' C' . . . . . 1.04 " H5'" HO2' ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 O4'-C1'-N19 110.912 2.712 . 0.594 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . 0.88 ' OP2' ' HD3' ' B' ' 35' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -3.044 0 O4'-C1'-N19 110.98 2.78 . 0.518 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . 1.408 " H2'" ' C5 ' ' A' ' 69' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.823 -2.877 . 0.559 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 O4'-C1'-N19 112.122 3.922 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . 1.408 ' C5 ' " H2'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.145 1 O4'-C1'-N19 112.401 4.201 . 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . 1.0 ' H8 ' ' OP2' ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 O5'-C5'-C4' 114.863 3.331 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . 0.72 " H1'" ' C8 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.479 0 O4'-C1'-N19 112.136 3.936 . 0.0 OUTLIER '7D dist 1z' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.742 1 O4'-C1'-N19 112.774 4.574 . 0.638 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . 0.72 ' C8 ' " H1'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.951 0 C5'-C4'-C3' 111.526 -2.649 . 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 O4'-C1'-N19 111.256 3.056 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . 1.035 HO2' " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.779 0 C4'-C3'-C2' 99.823 -2.877 . 0.672 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . 1.124 ' OP2' ' H8 ' ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.292 0 O5'-C5'-C4' 115.224 3.588 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . 0.452 " O2'" " H5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C4'-C3'-C2' 99.952 -2.748 . 0.524 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . 0.598 " O2'" " H5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 O4'-C1'-N19 111.796 3.596 . 0.558 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . 0.598 " H5'" " O2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.891 0 O4'-C1'-N19 112.177 3.977 . 0.435 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 110.672 -0.122 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.528 ' O ' ' N ' ' B' ' 38' ' ' ARG . 16.2 m -152.55 148.07 26.94 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -172.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.88 ' HD3' ' OP2' ' A' ' 66' ' ' ' U' . 90.8 mtm-85 -53.48 -30.74 42.55 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -176.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 1.039 ' HB3' ' C8 ' ' A' ' 47' ' ' ' G' . 66.4 mm-40 -62.79 -64.3 0.96 Allowed 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 173.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.535 ' HB1' " H3'" ' A' ' 46' ' ' ' G' . . . -58.58 -10.74 2.4 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 173.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.825 ' CD ' HH21 ' B' ' 41' ' ' ARG . 11.2 tpt180 -75.39 -52.89 9.7 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -175.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 1.305 ' O ' ' HB2' ' B' ' 43' ' ' ARG . 99.7 mtt180 -61.44 -38.21 86.35 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . 0.473 ' OD1' ' O6 ' ' A' ' 47' ' ' ' G' . 56.2 m-20 -63.11 -56.28 18.17 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.446 -173.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.825 HH21 ' CD ' ' B' ' 38' ' ' ARG . 36.5 ptt180 -65.09 -54.27 32.65 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 1.094 ' NH2' ' OP1' ' A' ' 67' ' ' ' G' . 66.9 mtm180 -67.32 -27.81 67.46 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 1.305 ' HB2' ' O ' ' B' ' 39' ' ' ARG . 2.9 tmm_? -56.5 -53.0 62.62 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.773 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 94.3 mtt-85 -55.54 -60.98 2.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' TRP . . . . . 0.459 ' O ' ' CB ' ' B' ' 49' ' ' GLN . 34.1 t90 -57.64 -33.25 68.08 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.826 ' HB3' ' O ' ' B' ' 43' ' ' ARG . 78.9 ttt180 -55.73 -73.97 0.05 Allowed 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 123.437 0.695 . . . . 0.0 109.789 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.987 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 3.9 tm-20 -58.59 -45.43 89.11 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 123.078 0.551 . . . . 0.0 109.556 176.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.773 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 0.5 OUTLIER -55.47 -58.33 8.21 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.046 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.459 ' CB ' ' O ' ' B' ' 45' ' ' TRP . 11.6 tp-100 -57.31 -29.25 63.76 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 176.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.987 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 73.4 ttt-85 -58.77 -55.41 35.49 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.724 177.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.68 -48.91 74.29 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.413 ' HB1' ' NH1' ' B' ' 48' ' ' ARG . . . -55.95 -53.08 61.25 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -178.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.15 -55.96 26.68 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.94 -57.68 11.74 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 -179.893 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 C4'-C3'-C2' 100.049 -2.651 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . 0.563 " O2'" " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.958 0 C5'-C4'-C3' 111.882 -2.412 . 0.896 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 0.946 HO2' " H5'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.957 0 O4'-C1'-N19 111.628 3.428 . 0.652 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 1.028 HO2' " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.072 0 O4'-C1'-N19 111.297 3.097 . 0.631 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . 1.028 " H5'" HO2' ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 O4'-C1'-N19 111.597 3.397 . 0.666 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.77 0 C5'-C4'-C3' 110.575 -3.284 . 0.721 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 0.69 ' O6 ' ' N1 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.042 0 C4'-C3'-C2' 99.737 -2.963 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . 0.711 H5'' ' H8 ' ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.062 0 O4'-C1'-N19 111.481 3.281 . 0.571 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 0.978 HO2' " H5'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.319 1 O4'-C1'-N19 112.505 4.305 . 0.031 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . 0.997 HO2' " H5'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.098 0 C4'-C3'-C2' 99.988 -2.712 . 0.572 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 0.997 " H5'" HO2' ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 O4'-C1'-N19 112.163 3.963 . 0.59 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . 0.536 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 C4'-C3'-C2' 100.312 -2.388 . 0.662 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 C4'-C3'-C2' 99.828 -2.872 . 0.614 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 O4'-C1'-N19 111.885 3.685 . 0.601 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ' G' . . . . . 1.167 ' OP2' ' H8 ' ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C4'-C3'-C2' 100.014 -2.686 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ' C' . . . . . 1.257 " O2'" ' N9 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.287 2 O4'-C1'-N19 113.689 5.489 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1g' 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ' A' . . . . . 1.257 ' N9 ' " O2'" ' A' ' 56' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C4'-C3'-C2' 100.237 -2.463 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ' A' . . . . . 1.062 " H5'" HO2' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.703 0 C5'-C4'-C3' 112.336 -2.109 . 0.553 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . 0.437 " O4'" " H2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.439 0 C5'-C4'-C3' 112.164 -2.224 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 O4'-C1'-N19 111.588 3.388 . 0.746 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . 0.641 " O2'" " H5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.864 0 O4'-C1'-N19 111.695 3.495 . 0.808 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . 0.641 " H5'" " O2'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.876 0 C5'-C4'-C3' 112.103 -2.265 . 0.54 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . 0.637 ' OP1' ' NH1' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C5'-C4'-C3' 110.185 -3.544 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . 1.21 " H3'" ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -2.958 1 O4'-C1'-N19 113.332 5.132 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . 1.021 " H2'" ' N7 ' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.041 0 C4'-C3'-C2' 99.509 -3.191 OUTLIER-EPSILON 0.456 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . 1.021 ' N7 ' " H2'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 P--O5' 1.618 2.5 1 P-O3'-C3' 127.978 6.899 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 1 O4'-C1'-N19 112.872 4.672 . 0.636 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . 0.69 ' N1 ' ' O6 ' ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.267 0 O5'-C5'-C4' 114.54 3.1 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . 0.618 " O2'" " H5'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.108 0 O4'-C1'-N19 112.053 3.853 . 0.542 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . 0.618 " H5'" " O2'" ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 C4'-C3'-C2' 100.251 -2.449 . 0.633 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . 0.455 " O2'" " H5'" ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.0 0 C5'-C4'-C3' 111.287 -2.809 . 0.69 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . 0.537 " O2'" " H5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.192 0 C4'-C3'-C2' 100.26 -2.44 . 0.687 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . 0.537 " H5'" " O2'" ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.983 0 O4'-C1'-N19 112.076 3.876 . 0.626 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . 0.488 " H5'" " O2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 O4'-C1'-N19 112.072 3.872 . 0.499 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 48.8 p30 . . . . . 0 N--CA 1.471 0.598 0 N-CA-C 110.605 -0.146 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 65.8 p -143.72 -177.74 5.56 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.116 0.966 . . . . 0.0 108.636 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 5.3 tpp85 -51.67 -41.32 61.3 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.359 0.664 . . . . 0.0 109.86 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -64.0 -55.99 18.33 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -173.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.912 ' O ' ' HG3' ' B' ' 41' ' ' ARG . . . -50.69 -47.24 58.94 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.169 0.587 . . . . 0.0 110.444 -176.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 18.3 mmt85 -61.34 -54.15 47.55 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 1.21 ' NH2' " H3'" ' A' ' 69' ' ' ' C' . 23.9 tpt180 -55.53 -52.15 64.66 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -176.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' B' ' 44' ' ' ARG . 51.2 m-20 -52.88 -44.82 67.13 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.833 0.453 . . . . 0.0 110.109 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.912 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 94.5 mtt-85 -56.87 -52.98 62.99 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -177.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -54.58 -56.01 23.4 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -178.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -54.12 -43.01 70.11 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 173.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.788 ' HB3' ' O ' ' B' ' 41' ' ' ARG . 18.1 tpp180 -53.17 -49.83 65.84 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 123.526 0.73 . . . . 0.0 110.119 -177.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -59.61 -55.86 29.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 -176.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.975 ' O ' ' HB2' ' B' ' 50' ' ' ARG . 76.9 mtm180 -56.85 -35.61 69.06 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -174.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.552 ' CD ' ' C ' ' B' ' 47' ' ' GLU . 2.9 tm-20 -68.32 -56.42 8.64 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.483 ' HG3' ' OP2' ' A' ' 44' ' ' ' C' . 0.7 OUTLIER -61.34 -58.19 9.24 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -177.733 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -63.06 -47.07 84.54 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -175.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.975 ' HB2' ' O ' ' B' ' 46' ' ' ARG . 1.1 tmm_? -58.73 -56.84 16.94 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -176.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.72 -49.5 74.98 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 1.358 ' O ' ' CG ' ' B' ' 55' ' ' ARG . . . -56.27 -56.86 15.83 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.15 -55.34 34.24 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -178.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.75 -25.59 41.4 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 1.358 ' CG ' ' O ' ' B' ' 52' ' ' ALA . 6.2 ppt_? . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . 0.445 ' C6 ' ' C5 ' ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 C5'-C4'-C3' 111.207 -2.862 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . 0.466 " O2'" " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 C5'-C4'-C3' 111.067 -2.956 . 0.667 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 0.604 ' OP1' ' NH2' ' B' ' 48' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.858 0 O4'-C1'-N19 111.503 3.303 . 0.627 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 0.991 HO2' " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 O4'-C1'-N19 110.801 2.601 . 0.668 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . 0.991 " H5'" HO2' ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 O4'-C1'-N19 111.422 3.222 . 0.662 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 0.916 " H5'" " O2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 O4'-C1'-N19 110.84 2.64 . 0.492 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 1.049 ' O6 ' ' ND2' ' B' ' 40' ' ' ASN . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 C4'-C3'-C2' 100.406 -2.294 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . 0.934 ' C8 ' " H2'" ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.176 1 C1'-O4'-C4' 105.879 -4.134 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 0.944 HO2' " H5'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.185 1 O4'-C1'-N19 113.028 4.828 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . 0.944 " H5'" HO2' ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.138 0 C4'-C3'-C2' 100.236 -2.464 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 0.863 HO2' " H5'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.289 1 O4'-C1'-N19 112.378 4.178 . 0.687 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . 0.863 " H5'" HO2' ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.078 0 C4'-C3'-C2' 100.262 -2.438 . 0.601 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ' G' . . . . . 0.442 " H5'" " O2'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 C4'-C3'-C2' 100.058 -2.642 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . 1.064 HO2' " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 O4'-C1'-N19 111.687 3.487 . 0.612 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ' G' . . . . . 1.064 " H5'" HO2' ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.08 0 C5'-C4'-C3' 112.274 -2.151 . 0.655 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ' C' . . . . . 0.591 " H5'" " C2'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.615 1 O4'-C1'-N19 113.033 4.833 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ' A' . . . . . 1.002 HO2' " H5'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.23 0 C3'-C2'-C1' 103.859 2.621 . 0.355 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ' A' . . . . . 1.002 " H5'" HO2' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 C4'-C3'-C2' 99.189 -3.511 OUTLIER-EPSILON 0.632 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . 0.409 " O2'" " H5'" ' A' ' 65' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.69 1 P-O3'-C3' 126.501 5.667 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ' C' . . . . . 0.71 " H2'" ' C6 ' ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 O4'-C1'-N19 110.961 2.761 . 0.514 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . 1.15 " O2'" " H5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.892 0 O4'-C1'-N19 111.403 3.203 . 0.459 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . 1.15 " H5'" " O2'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.054 0 C5'-C4'-C3' 110.551 -3.299 OUTLIER-DELTA 0.131 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . 1.499 ' C2 ' ' NH1' ' B' ' 46' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 O4'-C1'-N19 111.236 3.036 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . 0.951 ' OP2' ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -3.083 1 O4'-C1'-N19 112.294 4.094 . 0.047 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . 0.904 " H5'" " O2'" ' A' ' 69' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.072 0 C5'-C4'-C3' 112.475 -2.017 . 0.621 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . 1.241 " H1'" ' NH2' ' B' ' 43' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.738 0 O4'-C1'-N19 110.758 2.558 . 0.034 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 1 O4'-C1'-N19 112.97 4.77 . 0.639 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . 0.447 ' H62' ' NH1' ' B' ' 43' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.891 0 C5'-C4'-C3' 111.221 -2.853 . 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.558 0 O4'-C1'-N19 111.423 3.223 . 0.552 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . 0.561 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 C4'-C3'-C2' 100.021 -2.679 . 0.472 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . 0.561 " H5'" " O2'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.992 0 C4'-C3'-C2' 100.427 -2.273 . 0.451 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C5'-C4'-C3' 111.859 -2.427 . 0.853 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . 0.855 HO2' " H5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.006 0 O4'-C1'-N19 112.023 3.823 . 0.379 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . 0.855 " H5'" HO2' ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.955 0 O4'-C1'-N19 112.03 3.83 . 0.476 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 . . . . . 0 N--CA 1.471 0.595 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.969 ' O ' ' HG2' ' B' ' 38' ' ' ARG . 74.2 p -141.47 173.57 11.37 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.198 0.999 . . . . 0.0 109.004 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.566 ' O ' ' HG2' ' B' ' 39' ' ' ARG . 19.0 tpp85 -59.97 -49.42 77.74 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.895 ' HG2' ' C8 ' ' A' ' 48' ' ' ' G' . 4.5 mp0 -56.45 -52.96 62.71 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -176.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 1.236 ' O ' ' HB2' ' B' ' 41' ' ' ARG . . . -52.13 -43.81 64.19 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.969 ' HG2' ' O ' ' B' ' 34' ' ' THR . 31.0 mmt180 -59.03 -60.8 3.29 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 177.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.951 ' NH2' ' OP2' ' A' ' 69' ' ' ' C' . 24.3 mmm180 -53.91 -61.65 2.17 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -177.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . 1.049 ' ND2' ' O6 ' ' A' ' 47' ' ' ' G' . 40.3 m-20 -55.41 -30.15 59.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 176.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 1.236 ' HB2' ' O ' ' B' ' 37' ' ' ALA . 56.5 ttt85 -70.86 -45.13 64.98 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.778 -175.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.72 ' O ' ' HG2' ' B' ' 46' ' ' ARG . 1.1 mpt_? -58.03 -57.75 11.46 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -177.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 1.241 ' NH2' " H1'" ' A' ' 71' ' ' ' G' . 11.8 ptp180 -55.96 -31.54 63.07 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 -171.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 85.2 mtt-85 -57.82 -51.39 69.78 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 174.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' TRP . . . . . 0.687 ' O ' ' HB3' ' B' ' 48' ' ' ARG . 37.8 t90 -66.76 -34.19 77.28 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 1.499 ' NH1' ' C2 ' ' A' ' 68' ' ' ' A' . 20.9 mmm180 -55.79 -68.03 0.24 Allowed 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.569 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 87.9 tt0 -54.79 -30.02 55.87 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.687 ' HB3' ' O ' ' B' ' 45' ' ' TRP . 14.6 tpp180 -56.12 -60.11 3.95 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -65.09 -29.91 70.82 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.569 ' HB3' ' HA ' ' B' ' 47' ' ' GLU . 15.7 tpp180 -58.83 -54.93 41.59 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' B' ' 55' ' ' ARG . . . -56.08 -49.55 73.49 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.93 -50.29 71.15 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -56.07 24.46 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.65 -55.39 33.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' B' ' 51' ' ' ALA . 73.7 ttt-85 . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 0 C4'-C3'-C2' 100.109 -2.591 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . 0.493 " O2'" " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.838 0 C5'-C4'-C3' 111.774 -2.484 . 0.831 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 0.493 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.105 0 O4'-C1'-N19 111.085 2.885 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 0.717 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 O4'-C1'-N19 111.961 3.761 . 0.664 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . 0.746 ' O4 ' ' NH2' ' B' ' 44' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.905 0 C3'-C2'-C1' 103.917 2.686 . 0.566 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 0.684 " O2'" ' N7 ' ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.206 1 O4'-C1'-N19 113.834 5.634 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 1.094 ' N7 ' ' HG2' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 O3'-P-O5' 98.09 -3.111 . 0.192 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . 0.84 ' N7 ' ' NE2' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.419 -2.838 0 O4'-C1'-N19 110.754 2.554 . 0.621 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 0.763 ' H6 ' " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.299 1 O4'-C1'-N19 112.409 4.209 . 0.011 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . 0.695 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 C4'-C3'-C2' 100.237 -2.463 . 0.48 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 0.628 " H5'" " O2'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.213 1 O4'-C1'-N19 112.384 4.184 . 0.645 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . 0.626 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 C4'-C3'-C2' 100.416 -2.284 . 0.583 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ' G' . . . . . 0.443 ' C6 ' ' C6 ' ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.95 0 C4'-C3'-C2' 100.062 -2.638 . 0.56 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . 0.688 " O2'" " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 O4'-C1'-N19 112.124 3.924 . 0.621 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ' G' . . . . . 1.31 " H1'" ' N6 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 O4'-C1'-N19 111.039 2.839 . 0.619 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ' C' . . . . . 1.352 " H4'" ' N7 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.119 1 O4'-C1'-N19 112.684 4.484 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ' A' . . . . . 1.352 ' N7 ' " H4'" ' A' ' 56' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 C4'-C3'-C2' 99.854 -2.846 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ' A' . . . . . 1.31 ' N6 ' " H1'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.779 0 C5'-C4'-C3' 112.255 -2.164 . 0.331 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . 1.069 " H5'" " O2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.787 0 C5'-C4'-C3' 111.903 -2.398 . 0.384 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ' C' . . . . . 0.627 " H2'" ' C6 ' ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 O4'-C1'-N19 111.945 3.745 . 0.772 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . 0.684 ' H6 ' " O5'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.806 0 C5'-C4'-C3' 111.721 -2.52 . 0.461 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.87 0 C3'-C2'-C1' 103.801 2.556 . 0.643 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . 0.598 " O5'" ' NH2' ' B' ' 42' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 O4'-C1'-N19 111.426 3.226 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . 1.013 HO2' " H5'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.808 0 O4'-C1'-N19 112.184 3.984 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . 1.194 ' H8 ' ' OP2' ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.37 0 O5'-C5'-C4' 115.039 3.457 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . 1.036 " H3'" ' OP1' ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 O4'-C1'-N19 111.878 3.678 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . 0.846 ' O4 ' ' CZ ' ' B' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.719 1 O4'-C1'-N19 112.734 4.534 . 0.542 6p . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . 0.553 " O2'" " H5'" ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 C5'-C4'-C3' 111.726 -2.516 . 0.016 6j . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . 0.65 ' H6 ' " O5'" ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.659 1 O4'-C1'-N19 112.278 4.078 . 0.518 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . 0.758 ' C2 ' ' C5 ' ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 C4'-C3'-C2' 99.867 -2.833 . 0.423 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . 0.758 ' C5 ' ' C2 ' ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 C4'-C3'-C2' 100.267 -2.433 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . 0.732 " H2'" ' C6 ' ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 C4'-C3'-C2' 99.937 -2.763 . 0.512 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . 1.334 " C3'" ' C6 ' ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 O4'-C1'-N19 112.07 3.87 . 0.549 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . 1.334 ' C6 ' " C3'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.75 1 O4'-C1'-N19 112.299 4.099 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.2 p -83.9 178.76 7.76 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.707 ' O ' ' HG2' ' B' ' 39' ' ' ARG . 22.2 mtp-105 -55.55 -21.93 19.3 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 177.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 1.094 ' HG2' ' N7 ' ' A' ' 47' ' ' ' G' . 4.1 tp-100 -60.76 -43.06 98.5 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 123.388 0.675 . . . . 0.0 110.152 178.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.642 ' O ' ' HG2' ' B' ' 41' ' ' ARG . . . -54.74 -49.85 69.82 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -178.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -57.18 -31.81 65.81 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 1.139 ' O ' ' HB2' ' B' ' 43' ' ' ARG . 24.4 mmm180 -79.31 -40.68 29.79 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . 1.002 ' OD1' ' O6 ' ' A' ' 47' ' ' ' G' . 67.7 m-20 -71.86 -71.78 0.26 Allowed 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -174.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.642 ' HG2' ' O ' ' B' ' 37' ' ' ALA . 40.0 ptt180 -64.07 -47.85 78.51 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.598 ' NH2' " O5'" ' A' ' 68' ' ' ' A' . 56.6 ttt-85 -46.83 -43.6 18.64 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.092 0.957 . . . . 0.0 110.338 174.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 1.139 ' HB2' ' O ' ' B' ' 39' ' ' ARG . 6.1 tmm_? -54.96 -52.14 63.97 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.746 ' NH2' ' O4 ' ' A' ' 45' ' ' ' U' . 90.6 mtt-85 -61.18 -51.55 68.55 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 -177.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' TRP . . . . . 0.415 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 38.5 t90 -57.28 -14.03 3.94 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.53 HH22 HH11 ' B' ' 50' ' ' ARG . 0.2 OUTLIER -72.34 -57.76 3.94 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.728 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.828 ' OE1' ' HG3' ' B' ' 48' ' ' ARG . 1.3 pp20? -75.36 -27.28 59.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -177.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.828 ' HG3' ' OE1' ' B' ' 47' ' ' GLU . 95.9 mtt180 -62.4 -37.7 86.8 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 174.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.15 -49.3 78.4 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -178.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.846 ' CZ ' ' O4 ' ' A' ' 72' ' ' ' U' . 17.1 ptm180 -64.5 -40.69 96.12 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.062 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.15 -45.25 75.66 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -175.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.72 -52.41 65.6 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.18 -56.2 23.51 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.25 -56.05 24.37 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.115 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 0 C4'-C3'-C2' 100.105 -2.595 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . 0.714 " O2'" " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.878 0 C5'-C4'-C3' 111.91 -2.393 . 0.847 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 0.714 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.918 0 O4'-C1'-N19 111.766 3.566 . 0.529 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.074 0 O4'-C1'-N19 111.183 2.983 . 0.694 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.382 0 O4'-C1'-N19 111.879 3.679 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 0.818 " H3'" ' HB1' ' B' ' 37' ' ' ALA . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C5'-C4'-C3' 109.937 -3.708 . 0.721 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 0.815 ' N7 ' ' HB3' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.418 -2.924 0 C4'-C3'-C2' 100.386 -2.314 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . 0.783 HO2' ' H6 ' ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 O4'-C1'-N19 111.554 3.354 . 0.53 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 0.783 ' H6 ' HO2' ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.369 1 O4'-C1'-N19 112.439 4.239 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . 0.565 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.226 0 C4'-C3'-C2' 100.081 -2.619 . 0.552 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 0.863 HO2' " H5'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 O4'-C1'-N19 110.818 2.618 . 0.595 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . 0.863 " H5'" HO2' ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C5'-C4'-C3' 112.332 -2.112 . 0.52 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ' G' . . . . . 0.754 HO2' " H5'" ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.958 0 C4'-C3'-C2' 100.087 -2.613 . 0.694 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . 1.008 HO2' " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.214 0 O4'-C1'-N19 111.875 3.675 . 0.639 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ' G' . . . . . 1.008 " H5'" HO2' ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 100.724 -1.976 . 0.591 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.548 1 O4'-C1'-N19 113.172 4.972 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ' A' . . . . . 0.673 " H2'" ' C8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.271 0 P-O3'-C3' 123.815 3.429 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ' A' . . . . . 0.676 ' H8 ' " O5'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C5'-C4'-C3' 112.196 -2.203 . 0.458 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . 0.675 " O4'" " H2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 C5'-C4'-C3' 111.844 -2.438 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ' C' . . . . . 0.536 " H5'" " O2'" ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.307 1 O4'-C1'-N19 112.624 4.424 . 0.663 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . 0.696 " H2'" ' C8 ' ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.849 0 O4'-C1'-N19 111.923 3.723 . 0.84 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . 1.268 ' H8 ' " O5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 C5'-C4'-C3' 110.915 -3.057 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . 0.854 HO2' HH11 ' B' ' 46' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 O4'-C1'-N19 111.482 3.282 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . 1.011 ' P ' HH12 ' B' ' 46' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.705 2 O4'-C1'-N19 112.879 4.679 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . 0.776 " H3'" " H2'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.037 1 P-O3'-C3' 126.984 6.07 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . 0.776 " H2'" " H3'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.393 0 O4'-C1'-N19 111.291 3.091 OUTLIER-EPSILON 0.054 5p . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 2 P-O3'-C3' 127.162 6.219 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . 0.893 ' N7 ' ' NH2' ' B' ' 43' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.897 0 C5'-C4'-C3' 110.788 -3.141 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . 0.866 HO2' " H5'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.739 1 P-O3'-C3' 125.867 5.139 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . 0.866 " H5'" HO2' ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C5'-C4'-C3' 112.014 -2.324 . 0.646 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . 0.743 " H5'" HO2' ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.803 1 C4'-C3'-C2' 98.63 -4.07 OUTLIER-EPSILON 0.659 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . 0.491 " O2'" " H5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.032 1 P-O3'-C3' 127.409 6.424 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . 0.502 " O2'" " H5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.991 0 O4'-C1'-N19 111.978 3.778 . 0.649 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . 0.502 " H5'" " O2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 O4'-C1'-N19 112.174 3.974 . 0.452 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.576 ' O ' ' HD3' ' B' ' 38' ' ' ARG . 81.5 p -142.07 177.17 8.4 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.151 0.98 . . . . 0.0 108.71 179.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.757 ' NH2' ' N7 ' ' A' ' 67' ' ' ' G' . 24.4 mtp-105 -59.2 -33.28 70.77 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -176.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.815 ' HB3' ' N7 ' ' A' ' 47' ' ' ' G' . 25.3 mp0 -57.05 -51.79 67.84 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.818 ' HB1' " H3'" ' A' ' 46' ' ' ' G' . . . -54.48 -39.43 67.5 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.463 0.305 . . . . 0.0 110.212 -176.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.576 ' HD3' ' O ' ' B' ' 34' ' ' THR . 1.4 mpt_? -57.8 -63.75 1.14 Allowed 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -176.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' B' ' 43' ' ' ARG . 88.7 mtm-85 -57.93 -43.96 86.6 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -176.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . 0.432 ' O ' ' HB3' ' B' ' 43' ' ' ARG . 54.8 m-20 -55.57 -60.93 2.73 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -57.17 -52.46 65.23 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 176.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.454 ' HB3' ' HA ' ' B' ' 39' ' ' ARG . 58.5 ttt85 -52.49 -33.2 43.72 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.12 -179.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 0.893 ' NH2' ' N7 ' ' A' ' 73' ' ' ' A' . 37.7 ttm180 -56.93 -45.16 82.93 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.678 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 1.0 OUTLIER -62.55 -47.8 82.29 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -177.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' TRP . . . . . 0.448 ' CZ3' ' C2 ' ' A' ' 68' ' ' ' A' . 30.1 t90 -57.79 -59.41 5.26 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -177.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 1.011 HH12 ' P ' ' A' ' 69' ' ' ' C' . 55.2 ttp180 -59.73 -50.61 73.16 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -177.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.524 ' CD ' ' C ' ' B' ' 47' ' ' GLU . 5.3 tm-20 -55.93 -48.9 74.89 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.678 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 1.1 tmm_? -55.22 -55.32 32.6 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -56.44 -36.95 69.61 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.497 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 61.9 ttm-85 -58.8 -52.55 65.22 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.58 -50.03 71.18 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.97 -55.71 29.43 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.32 -54.55 45.5 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.79 -53.84 51.73 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? . . . . . 0 N--CA 1.45 -0.444 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 -178.861 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . 0.779 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 C4'-C3'-C2' 100.272 -2.428 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . 1.043 HO2' " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 C4'-C3'-C2' 100.435 -2.265 . 0.465 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 1.043 " H5'" HO2' ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 O4'-C1'-N19 110.981 2.781 . 0.626 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 111.118 2.918 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . 0.599 HO2' " H5'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.933 1 O4'-C1'-N19 112.38 4.18 . 0.588 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 1.38 ' C8 ' ' OP2' ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.929 0 O4'-C1'-N19 110.866 2.666 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 1.173 ' N7 ' ' HB3' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 C5'-C4'-C3' 111.229 -2.847 . 0.039 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . 1.139 ' C8 ' ' NE2' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.418 -2.912 0 O4'-C1'-N19 111.607 3.407 . 0.181 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 0.703 ' H6 ' " O3'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.284 1 O4'-C1'-N19 112.518 4.318 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . 0.946 HO2' " H5'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.296 0 C4'-C3'-C2' 100.098 -2.602 . 0.571 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 0.946 " H5'" HO2' ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 O4'-C1'-N19 112.196 3.996 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . 0.54 ' C8 ' " H2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.799 0 N19-C1'-C2' 109.904 -2.185 . 0.514 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 C4'-C3'-C2' 100.033 -2.667 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.275 0 O4'-C1'-N19 110.854 2.654 . 0.495 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 C4'-C3'-C2' 99.915 -2.785 . 0.603 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.446 2 O4'-C1'-N19 113.577 5.377 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ' A' . . . . . 0.715 " O2'" " H5'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.065 0 P-O3'-C3' 122.364 2.22 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ' A' . . . . . 1.08 HO2' " C5'" ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C5'-C4'-C3' 112.301 -2.133 . 0.408 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . 1.08 " C5'" HO2' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.836 0 C5'-C4'-C3' 112.017 -2.322 . 0.467 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 0 O4'-C1'-N19 111.589 3.389 . 0.744 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . 1.051 HO2' " C5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 O4'-C1'-N19 111.917 3.717 . 0.796 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . 1.289 ' O6 ' ' NH2' ' B' ' 35' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -3.053 0 O4'-C1'-N19 111.561 3.361 OUTLIER-DELTA 0.145 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . 0.419 ' C2 ' ' CZ3' ' B' ' 45' ' ' TRP . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C5'-C4'-C3' 111.385 -2.743 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . 0.81 ' C5 ' ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 O4'-C1'-N19 112.194 3.994 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . 1.041 ' C6 ' ' C6 ' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.959 0 C5'-C4'-C3' 111.353 -2.764 . 0.835 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . 1.455 " C5'" " H3'" ' A' ' 72' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -2.969 0 C5'-C4'-C3' 111.252 -2.832 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . 1.455 " H3'" " C5'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.383 0 O4'-C1'-N19 112.064 3.864 OUTLIER-EPSILON 0.195 6p . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . 0.649 " O2'" " H5'" ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.832 1 P-O3'-C3' 126.286 5.488 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . 0.649 " H5'" " O2'" ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.682 1 O4'-C1'-N19 112.377 4.177 . 0.604 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . 0.58 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 C4'-C3'-C2' 99.827 -2.873 . 0.424 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . 0.58 " H5'" " O2'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 C4'-C3'-C2' 100.325 -2.375 . 0.513 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . 0.472 " O2'" " H5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 C4'-C3'-C2' 100.051 -2.649 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . 0.539 " O2'" " H5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.091 0 O4'-C1'-N19 112.031 3.831 . 0.619 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . 0.539 " H5'" " O2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.78 1 O4'-C1'-N19 112.208 4.008 . 0.466 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -156.11 -177.0 6.26 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 1.289 ' NH2' ' O6 ' ' A' ' 67' ' ' ' G' . 23.5 mtp-105 -56.46 -47.29 79.49 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -175.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 1.173 ' HB3' ' N7 ' ' A' ' 47' ' ' ' G' . 30.0 mm100 -56.89 -50.26 73.05 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -176.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.569 ' O ' ' CB ' ' B' ' 41' ' ' ARG . . . -55.55 -55.79 27.82 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' B' ' 42' ' ' ARG . 94.1 mtt-85 -55.59 -35.98 66.4 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 1.241 ' HG2' ' O ' ' B' ' 35' ' ' ARG . 25.0 mmm180 -63.1 -70.79 0.19 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . 0.657 ' O ' ' HG2' ' B' ' 44' ' ' ARG . 20.2 p30 -62.35 -24.77 67.53 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -177.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.569 ' CB ' ' O ' ' B' ' 37' ' ' ALA . 39.2 ttm180 -75.74 -55.15 5.92 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 177.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' B' ' 38' ' ' ARG . 61.7 ttm-85 -56.02 -37.87 69.76 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 0.511 ' HG3' ' OP2' ' A' ' 72' ' ' ' U' . 69.9 ttp85 -56.95 -41.04 77.54 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' B' ' 40' ' ' ASN . 29.1 mmt180 -60.06 -54.6 44.05 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' TRP . . . . . 0.419 ' CZ3' ' C2 ' ' A' ' 68' ' ' ' A' . 29.6 t90 -57.7 -51.25 70.31 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.075 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' B' ' 50' ' ' ARG . 56.1 ttp180 -62.84 -40.2 96.72 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -174.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 1.103 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 36.3 tt0 -70.99 -44.37 66.1 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -61.23 -50.03 74.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -56.88 -30.84 64.25 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 173.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 1.103 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 25.8 tpt180 -58.51 -55.07 39.85 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 123.958 0.903 . . . . 0.0 109.627 176.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.63 -53.04 62.62 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.64 -54.96 40.97 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.47 -50.94 70.27 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.71 -51.49 67.14 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 81.0 ttt180 . . . . . 0 N--CA 1.449 -0.494 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.572 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . 1.199 " C2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 C4'-C3'-C2' 99.986 -2.714 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . 1.199 " H5'" " C2'" ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 C5'-C4'-C3' 111.339 -2.774 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 0.656 HO2' " H5'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 O4'-C1'-N19 112.081 3.881 . 0.825 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 1.101 ' H6 ' ' OP2' ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.34 1 O4'-C1'-N19 112.475 4.275 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . 0.844 " O2'" " H5'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 110.883 2.683 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 1.024 " O2'" ' ND2' ' B' ' 40' ' ' ASN . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 O4'-C1'-N19 111.924 3.724 . 0.595 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 1.072 ' O6 ' ' ND2' ' B' ' 40' ' ' ASN . . . . . . . . 0 O4'--C4' 1.423 -2.513 0 O3'-P-O5' 98.324 -2.987 . 0.426 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . 0.75 ' N7 ' ' NE2' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.419 -2.828 0 O4'-C1'-N19 110.975 2.775 . 0.678 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 0.947 HO2' " H5'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.244 1 O4'-C1'-N19 112.388 4.188 . 0.032 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . 0.963 HO2' " H5'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 C4'-C3'-C2' 100.041 -2.659 . 0.59 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 0.963 " H5'" HO2' ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.233 1 O4'-C1'-N19 112.469 4.269 . 0.666 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . 0.607 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.17 0 C4'-C3'-C2' 100.238 -2.462 . 0.652 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ' G' . . . . . 0.514 HO2' " H5'" ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.997 0 C4'-C3'-C2' 100.251 -2.449 . 0.559 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . 0.641 HO2' " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.247 0 O4'-C1'-N19 111.134 2.934 . 0.625 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ' G' . . . . . 0.641 " H5'" HO2' ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.87 0 C4'-C3'-C2' 100.098 -2.602 . 0.63 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ' C' . . . . . 0.873 " H2'" ' C8 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.411 -3.516 1 O4'-C1'-N19 113.224 5.024 . 0.318 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ' A' . . . . . 0.944 " H2'" ' C8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 O4'-C1'-N19 110.152 1.952 . 0.448 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ' A' . . . . . 0.987 ' H8 ' " O5'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C4'-C3'-C2' 100.154 -2.546 . 0.457 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . 1.11 ' H8 ' ' OP2' ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 C4'-C3'-C2' 99.46 -3.24 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ' C' . . . . . 0.712 " O4'" " O2'" ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.076 1 O4'-C1'-N19 112.526 4.326 . 0.305 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . 1.292 ' H6 ' ' OP2' ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.413 -3.342 0 O5'-C5'-C4' 115.652 3.894 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . 1.08 " H5'" HO2' ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.413 -3.352 1 C4'-C3'-C2' 98.043 -4.657 OUTLIER-EPSILON 0.452 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . 1.282 ' C2 ' ' NH1' ' B' ' 42' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.649 1 P-O3'-C3' 127.231 6.276 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . 0.695 ' N4 ' HH12 ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.788 0 O4'-C1'-N19 112.088 3.888 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . 1.248 ' N7 ' ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.414 -3.268 0 O5'-C5'-C4' 115.492 3.78 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . 0.516 " H2'" " H3'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 O4'-C1'-N19 112.146 3.946 . 0.01 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 1 O4'-C1'-N19 112.529 4.329 . 0.595 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . 0.513 " O2'" " H5'" ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.993 0 C5'-C4'-C3' 111.529 -2.647 . 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . 0.574 ' H6 ' " O5'" ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 O4'-C1'-N19 112.161 3.961 . 0.626 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . 0.563 ' H61' ' H41' ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 C4'-C3'-C2' 100.411 -2.289 . 0.71 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . 0.445 " H5'" " O2'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.08 0 C4'-C3'-C2' 100.271 -2.429 . 0.594 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . 0.921 HO2' " H5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 C4'-C3'-C2' 100.172 -2.528 . 0.58 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . 0.982 HO2' " H5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.057 1 O4'-C1'-N19 112.209 4.009 . 0.654 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . 0.982 " H5'" HO2' ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.939 0 O4'-C1'-N19 112.043 3.843 . 0.545 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 . . . . . 0 N--CA 1.47 0.575 0 N-CA-C 110.726 -0.102 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 6.1 m -149.8 150.43 31.99 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -173.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.956 ' O ' ' HB2' ' B' ' 39' ' ' ARG . 23.6 mmt85 -52.2 -32.1 34.85 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 178.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.834 ' HB3' ' N7 ' ' A' ' 47' ' ' ' G' . 29.3 mm100 -71.19 -61.46 1.76 Allowed 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.413 0.685 . . . . 0.0 109.695 178.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.517 ' HA ' " H2'" ' A' ' 46' ' ' ' G' . . . -51.67 -57.43 9.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.373 0.669 . . . . 0.0 110.139 -177.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 57.0 ttp85 -56.69 -52.95 62.96 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 1.248 ' NH2' ' N7 ' ' A' ' 70' ' ' ' G' . 13.3 tpt180 -52.73 -56.45 15.47 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.481 0.712 . . . . 0.0 109.76 -175.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . 1.072 ' ND2' ' O6 ' ' A' ' 47' ' ' ' G' . 61.1 m-20 -63.0 -49.76 73.41 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.89 -179.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -60.65 -37.74 82.55 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 1.282 ' NH1' ' C2 ' ' A' ' 68' ' ' ' A' . 19.1 tpp180 -55.78 -46.38 77.95 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -176.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 0.625 ' HG3' ' OE1' ' B' ' 47' ' ' GLU . 68.2 ttp85 -55.9 -34.95 66.02 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 1.268 ' O ' ' HG2' ' B' ' 48' ' ' ARG . 25.5 mmt180 -64.54 -48.54 74.68 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -177.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' TRP . . . . . 0.862 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 90.5 t90 -57.74 -54.37 47.7 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -177.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.403 ' HD3' " O2'" ' A' ' 68' ' ' ' A' . 40.2 mtm105 -57.5 -58.63 7.45 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -177.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.625 ' OE1' ' HG3' ' B' ' 43' ' ' ARG . 0.4 OUTLIER -54.87 -29.84 56.52 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.538 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 1.268 ' HG2' ' O ' ' B' ' 44' ' ' ARG . 22.4 mmm180 -55.75 -47.29 77.21 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -67.12 -36.99 83.08 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -173.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -58.74 -48.49 81.0 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.1 -52.53 63.98 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.98 -54.78 42.76 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.54 -55.61 32.57 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -178.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.54 -56.65 17.78 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 . . . . . 0 N--CA 1.45 -0.45 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . 1.101 HO2' " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 C4'-C3'-C2' 99.912 -2.788 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . 1.101 " H5'" HO2' ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 C4'-C3'-C2' 100.288 -2.412 . 0.591 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 0.828 HO2' " H5'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 O4'-C1'-N19 110.947 2.747 . 0.569 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 0.828 " H5'" HO2' ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 O4'-C1'-N19 110.914 2.714 . 0.612 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . 0.524 " H2'" ' C8 ' ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.196 1 O4'-C1'-N19 112.574 4.374 . 0.698 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 1.418 ' C8 ' ' OP2' ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.827 0 O4'-C1'-N19 111.374 3.174 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 1.403 ' C8 ' " O2'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.543 1 C5'-C4'-C3' 109.235 -4.177 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . 0.996 " O2'" ' H6 ' ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.809 0 C5'-C4'-C3' 110.971 -3.019 . 0.585 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 0.996 ' H6 ' " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 O4'-C1'-N19 111.91 3.71 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . 1.264 ' H8 ' ' OP2' ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.309 0 O5'-C5'-C4' 115.139 3.528 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 0.976 " H5'" HO2' ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 O4'-C1'-N19 112.111 3.911 . 0.602 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . 0.729 HO2' " H5'" ' A' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.671 0 C5'-C4'-C3' 110.61 -3.26 . 0.53 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ' G' . . . . . 0.729 " H5'" HO2' ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.979 0 C4'-C3'-C2' 100.231 -2.469 . 0.713 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . 0.558 " H5'" HO2' ' A' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.229 0 C4'-C3'-C2' 100.006 -2.694 . 0.657 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ' G' . . . . . 0.844 " H2'" ' OP2' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.849 0 C4'-C3'-C2' 99.712 -2.988 . 0.653 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ' C' . . . . . 0.823 " O2'" " H5'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.86 1 O4'-C1'-N19 113.747 5.547 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ' A' . . . . . 1.127 " C3'" ' C8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 O4'-C1'-N19 111.913 3.713 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ' A' . . . . . 1.127 ' C8 ' " C3'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 C5'-C4'-C3' 111.716 -2.523 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.926 0 C5'-C4'-C3' 110.508 -3.328 . 0.649 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ' C' . . . . . 0.436 " O2'" " H5'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.786 0 O4'-C1'-N19 111.662 3.462 . 0.713 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . 0.614 " O2'" " H5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 C4'-C3'-C2' 99.86 -2.84 . 0.741 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . 0.821 ' O6 ' ' O6 ' ' A' ' 50' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.379 -3.82 0 O5'-P-OP2 99.99 -3.078 . 0.343 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . 0.535 " H4'" " C5'" ' A' ' 69' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 O4'-C1'-N19 111.124 2.924 . 0.107 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . 0.554 " H2'" ' C8 ' ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.858 1 O4'-C1'-N19 112.678 4.478 . 0.379 6j . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . 1.442 ' C8 ' ' OP2' ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 O5'-C5'-C4' 115.293 3.638 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . 1.138 ' H8 ' ' OP1' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.918 0 O4'-C1'-N19 111.083 2.883 . 0.01 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . 1.293 ' OP2' ' HG3' ' B' ' 43' ' ' ARG . . . . . . . . 0 O4'--C4' 1.422 -2.564 1 O4'-C1'-N19 113.207 5.007 . 0.316 6p . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . 0.949 ' H8 ' " O4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C1'-O4'-C4' 106.978 -2.913 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . 0.55 " H5'" " O2'" ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.104 0 O4'-C1'-N19 112.068 3.868 . 0.66 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . 0.412 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.044 0 C4'-C3'-C2' 100.044 -2.656 . 0.726 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . 0.412 " H5'" " O2'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.192 0 C4'-C3'-C2' 100.056 -2.644 . 0.644 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . 0.458 " O2'" " H5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.198 0 C4'-C3'-C2' 100.014 -2.686 . 0.559 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . 0.541 " H2'" ' C6 ' ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.991 0 O4'-C1'-N19 111.814 3.614 . 0.566 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . 0.541 ' C6 ' " H2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.713 1 O4'-C1'-N19 112.238 4.038 . 0.441 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 110.514 -0.18 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.649 ' O ' ' HB2' ' B' ' 38' ' ' ARG . 9.4 t -156.26 174.02 16.01 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.755 ' HB3' ' NH1' ' B' ' 39' ' ' ARG . 38.5 mtm105 -55.08 -46.35 75.46 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 122.631 0.372 . . . . 0.0 110.44 -174.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 1.08 ' HB3' ' N7 ' ' A' ' 47' ' ' ' G' . 3.9 mp0 -60.07 -67.45 0.39 Allowed 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 1.23 ' O ' ' HG3' ' B' ' 41' ' ' ARG . . . -52.69 -25.21 10.3 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.736 ' O ' ' HB2' ' B' ' 41' ' ' ARG . 22.9 tpt180 -75.74 -54.88 6.25 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -177.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.755 ' NH1' ' HB3' ' B' ' 35' ' ' ARG . 88.8 mtm-85 -63.83 -40.88 97.66 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . 0.598 ' HB3' ' N7 ' ' A' ' 46' ' ' ' G' . 64.8 m-20 -54.71 -31.82 58.7 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 174.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 1.23 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 81.3 mtp180 -65.86 -44.92 83.99 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -67.12 -39.07 86.59 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 1.293 ' HG3' ' OP2' ' A' ' 72' ' ' ' U' . 70.3 ttp85 -53.53 -46.76 70.28 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -174.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 1.23 ' O ' ' HG2' ' B' ' 48' ' ' ARG . 42.3 mtm105 -74.19 -34.03 63.63 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -176.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 14.1 t90 -59.93 -42.28 93.63 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -55.81 -71.69 0.08 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.449 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.456 ' CD ' ' C ' ' B' ' 47' ' ' GLU . 4.2 tm-20 -54.12 -43.09 70.17 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.341 -178.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 1.23 ' HG2' ' O ' ' B' ' 44' ' ' ARG . 7.9 mmm180 -52.7 -73.94 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.22 0.608 . . . . 0.0 110.194 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -58.24 -33.76 69.71 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -175.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -58.53 -46.78 86.1 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -177.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.08 -53.95 52.24 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.82 -53.4 57.83 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.35 -50.37 69.84 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.57 -54.03 49.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . 0.769 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.195 0 C4'-C3'-C2' 100.297 -2.403 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . 0.769 " H5'" " O2'" ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.108 0 C4'-C3'-C2' 100.292 -2.408 . 0.46 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 0.885 HO2' " H5'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 O4'-C1'-N19 111.099 2.899 . 0.498 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 1.518 " C2'" H5'' ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 O4'-C1'-N19 111.111 2.911 . 0.57 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . 1.518 H5'' " C2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.905 0 O4'-C1'-N19 111.612 3.412 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 1.122 " H2'" HD21 ' B' ' 40' ' ' ASN . . . . . . . . 0 O4'--C4' 1.42 -2.763 0 C5'-C4'-C3' 111.05 -2.966 . 0.792 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 1.173 ' N7 ' ' ND2' ' B' ' 40' ' ' ASN . . . . . . . . 0 O4'--C4' 1.414 -3.261 0 C1'-O4'-C4' 106.699 -3.223 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . 0.716 " H5'" " O2'" ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 O4'-C1'-N19 111.404 3.204 . 0.336 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 1.016 HO2' " H5'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.225 1 O4'-C1'-N19 112.593 4.393 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . 1.016 " H5'" HO2' ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C4'-C3'-C2' 100.299 -2.401 . 0.593 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 0.599 " O2'" " H5'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 O4'-C1'-N19 112.157 3.957 . 0.615 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . 0.599 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.06 0 C4'-C3'-C2' 100.468 -2.232 . 0.644 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 0 C4'-C3'-C2' 100.011 -2.689 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.332 0 O4'-C1'-N19 111.197 2.997 . 0.6 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.842 0 C4'-C3'-C2' 99.945 -2.755 . 0.64 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ' C' . . . . . 1.052 " O2'" " H3'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.341 1 O4'-C1'-N19 112.572 4.372 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ' A' . . . . . 1.052 " H3'" " O2'" ' A' ' 56' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.412 -3.385 0 C4'-C3'-C2' 99.904 -2.796 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ' A' . . . . . 1.193 " O2'" " H5'" ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 N19-C1'-C2' 109.144 -2.66 . 0.331 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . 1.193 " H5'" " O2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 C5'-C4'-C3' 111.764 -2.491 . 0.381 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ' C' . . . . . 1.002 HO2' " H5'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.902 0 O4'-C1'-N19 111.635 3.435 . 0.696 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . 1.002 " H5'" HO2' ' A' ' 65' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 O4'-C1'-N19 110.36 2.16 . 0.669 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . 1.017 ' N7 ' ' NH2' ' B' ' 35' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 100.769 -1.931 . 0.674 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . 1.028 ' OP2' ' NH1' ' B' ' 38' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 O4'-C1'-N19 111.553 3.353 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . 0.813 ' H42' HH21 ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.953 1 O4'-C1'-N19 112.682 4.482 . 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . 1.142 ' H8 ' ' OP2' ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 O4'-C1'-N19 111.381 3.181 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . 0.601 ' C8 ' " H2'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 O4'-C1'-N19 111.394 3.194 . 0.064 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.839 0 O4'-C1'-N19 111.715 3.515 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . 0.435 ' C5 ' ' C5 ' ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 C5'-C4'-C3' 111.13 -2.913 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . 0.435 ' C5 ' ' C5 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.696 0 O4'-C1'-N19 111.931 3.731 . 0.717 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . 0.464 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 C4'-C3'-C2' 100.042 -2.658 . 0.699 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . 0.464 " H5'" " O2'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.194 0 C4'-C3'-C2' 100.121 -2.579 . 0.562 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . 0.936 HO2' " H5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 C4'-C3'-C2' 100.14 -2.56 . 0.535 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . 0.936 " H5'" HO2' ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.05 0 O4'-C1'-N19 111.316 3.116 . 0.584 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . 0.62 " H5'" " O2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 O4'-C1'-N19 112.159 3.959 . 0.471 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 . . . . . 0 N--CA 1.471 0.593 0 CA-C-O 120.403 0.144 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 40.3 m -152.82 149.56 28.43 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -172.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 1.017 ' NH2' ' N7 ' ' A' ' 67' ' ' ' G' . 24.5 mtp-105 -54.83 -47.45 74.08 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -178.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -52.75 -59.45 4.47 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 174.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.704 ' HB1' " H3'" ' A' ' 46' ' ' ' G' . . . -55.66 -36.63 67.28 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 -178.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 1.028 ' NH1' ' OP2' ' A' ' 68' ' ' ' A' . 71.4 ttt-85 -57.21 -47.6 80.89 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.813 HH21 ' H42' ' A' ' 69' ' ' ' C' . 48.4 mmt-85 -64.16 -46.29 84.69 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . 1.173 ' ND2' ' N7 ' ' A' ' 47' ' ' ' G' . 51.9 m-20 -56.36 -54.04 50.2 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 -176.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -65.66 -48.83 70.78 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -67.01 -43.71 82.18 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -175.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' B' ' 39' ' ' ARG . 27.1 ttp-105 -59.16 -34.72 72.43 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -175.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 1.055 ' NH1' ' C5 ' ' A' ' 45' ' ' ' U' . 84.1 mtm180 -71.82 -42.18 67.3 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' TRP . . . . . 0.402 ' CZ3' ' C6 ' ' A' ' 68' ' ' ' A' . 30.4 t90 -67.19 -40.01 86.47 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.889 ' HA ' ' H2 ' ' A' ' 68' ' ' ' A' . 60.3 ttp180 -55.72 -50.07 71.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -178.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.827 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 80.3 mm-40 -62.93 -30.72 71.77 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -54.31 48.09 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -178.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -57.45 -30.42 65.01 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 173.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.827 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 1.2 tmt_? -58.48 -59.67 5.0 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.409 0.684 . . . . 0.0 109.358 -179.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.01 -53.01 61.22 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.95 -53.12 60.65 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.79 -52.58 63.49 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.6 -53.98 49.77 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.314 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . 0.756 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 C4'-C3'-C2' 100.215 -2.485 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . 0.756 " H5'" " O2'" ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.095 0 C4'-C3'-C2' 100.401 -2.299 . 0.461 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 0.942 HO2' " H5'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.026 0 O4'-C1'-N19 111.142 2.942 . 0.549 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 0.942 " H5'" HO2' ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 O4'-C1'-N19 111.511 3.311 . 0.604 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . 1.145 ' O4 ' ' NH2' ' B' ' 44' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 112.105 3.905 . 0.617 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 0.608 " H3'" ' HB1' ' B' ' 37' ' ' ALA . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C5'-C4'-C3' 111.154 -2.898 . 0.733 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 1.131 ' N7 ' ' HB3' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.413 -3.352 0 C4'-C3'-C2' 99.907 -2.793 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . 0.721 " O2'" ' H6 ' ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 O4'-C1'-N19 111.499 3.299 . 0.417 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 0.819 " O2'" " H5'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.262 1 O4'-C1'-N19 112.512 4.312 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . 1.12 " C3'" ' C6 ' ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.917 0 C3'-C2'-C1' 104.0 2.778 . 0.481 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 1.12 ' C6 ' " C3'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.198 1 O4'-C1'-N19 112.485 4.285 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . 0.499 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 C4'-C3'-C2' 100.36 -2.34 . 0.613 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ' G' . . . . . 0.669 HO2' " H5'" ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 C4'-C3'-C2' 99.958 -2.742 . 0.661 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . 0.669 " H5'" HO2' ' A' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.232 0 C4'-C3'-C2' 99.957 -2.743 . 0.603 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ' G' . . . . . 0.806 " O5'" ' H8 ' ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C5'-C4'-C3' 112.208 -2.195 . 0.536 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ' C' . . . . . 0.824 " C3'" H5'' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.658 1 O4'-C1'-N19 113.084 4.884 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ' A' . . . . . 1.346 ' C8 ' " H5'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.277 1 C1'-O4'-C4' 104.966 -5.148 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ' A' . . . . . 0.849 ' H8 ' " O5'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C5'-C4'-C3' 111.129 -2.914 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 C5'-C4'-C3' 110.959 -3.028 . 0.644 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ' C' . . . . . 0.77 HO2' " H5'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 O4'-C1'-N19 111.513 3.313 . 0.698 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . 0.77 " H5'" HO2' ' A' ' 65' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 O4'-C1'-N19 110.459 2.259 . 0.669 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . 0.656 ' C8 ' " H2'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C4'-C3'-C2' 100.406 -2.294 . 0.535 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . 0.849 ' N3 ' ' HD3' ' B' ' 46' ' ' ARG . . . . . . . . 0 O4'--C4' 1.422 -2.565 1 O4'-C1'-N19 112.408 4.208 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . 0.569 " O2'" " H5'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.08 1 O4'-C1'-N19 112.336 4.136 . 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . 1.418 ' N7 ' ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 C5'-C4'-C3' 112.656 -1.896 . 0.596 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . 1.291 ' H8 ' ' OP1' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.69 0 O4'-C1'-N19 111.129 2.929 . 0.0 OUTLIER '7D dist 5z' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . 0.453 " H3'" " H4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.768 1 O4'-C1'-N19 112.223 4.023 . 0.423 6p . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . 0.694 HO2' " H5'" ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.912 0 N19-C1'-C2' 109.459 -2.463 . 0.609 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . 0.694 " H5'" HO2' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 O4'-C1'-N19 112.075 3.875 . 0.689 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . 0.453 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.229 0 C4'-C3'-C2' 100.118 -2.582 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . 0.959 HO2' " H5'" ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.24 0 C4'-C3'-C2' 100.101 -2.599 . 0.61 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . 0.959 " H5'" HO2' ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 C4'-C3'-C2' 100.106 -2.594 . 0.591 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . 0.555 " O2'" " H5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.981 0 O4'-C1'-N19 111.922 3.722 . 0.548 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . 0.555 " H5'" " O2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.779 0 O4'-C1'-N19 112.163 3.963 . 0.462 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 110.573 -0.158 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -156.04 175.3 14.14 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.47 ' O ' ' HG3' ' B' ' 39' ' ' ARG . 78.2 mtt85 -55.39 -47.42 75.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -173.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 1.131 ' HB3' ' N7 ' ' A' ' 47' ' ' ' G' . 4.5 mp0 -61.65 -65.07 0.75 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -178.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.608 ' HB1' " H3'" ' A' ' 46' ' ' ' G' . . . -50.6 -31.0 14.68 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -69.91 -68.06 0.44 Allowed 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 175.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 1.418 ' NH2' ' N7 ' ' A' ' 70' ' ' ' G' . 84.3 mtp180 -51.01 -34.27 28.63 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.381 0.672 . . . . 0.0 110.596 -173.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . 0.571 ' O ' ' HB2' ' B' ' 44' ' ' ARG . 77.6 m-20 -63.16 -37.45 87.26 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.579 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 38.0 mtm105 -76.82 -49.73 15.12 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -179.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 1.187 ' O ' ' CB ' ' B' ' 46' ' ' ARG . 39.1 mmt180 -56.16 -46.45 79.31 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -64.05 -30.85 71.89 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 1.145 ' NH2' ' O4 ' ' A' ' 45' ' ' ' U' . 22.0 tpp180 -70.36 -70.97 0.26 Allowed 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' TRP . . . . . 0.607 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 23.1 t90 -57.58 -39.93 77.86 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 1.187 ' CB ' ' O ' ' B' ' 42' ' ' ARG . 20.1 tpt180 -55.53 -66.85 0.35 Allowed 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.808 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 88.7 tt0 -55.06 -33.09 62.43 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 174.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.607 ' HB3' ' HA ' ' B' ' 45' ' ' TRP . 74.6 ttt-85 -59.15 -45.59 90.59 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 -177.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -57.68 -33.48 68.4 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 177.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.808 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 19.2 tpp180 -64.44 -52.07 59.91 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.9 -54.17 46.01 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -176.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' B' ' 55' ' ' ARG . . . -55.99 -51.71 66.76 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.453 ' C ' ' H ' ' B' ' 55' ' ' ARG . . . -59.45 -60.23 4.18 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.5 32.68 0.35 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.513 ' HB2' ' O ' ' B' ' 52' ' ' ALA . 54.2 ttp180 . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.7 p -87.39 174.16 8.7 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.516 ' O ' ' HG2' ' B' ' 38' ' ' ARG . 23.3 mtp-105 -59.83 -37.91 80.57 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -71.08 -55.72 7.64 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.263 -0.644 . . . . 0.0 109.263 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.695 ' O ' ' HG3' ' B' ' 41' ' ' ARG . . . -47.52 -46.69 27.76 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.859 0.864 . . . . 0.0 110.452 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' B' ' 35' ' ' ARG . 16.3 ptm180 -70.04 -48.37 58.19 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 1.371 ' NH1' ' HD3' ' B' ' 43' ' ' ARG . 29.2 tpt85 -55.35 -45.5 76.47 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -65.52 -50.85 63.7 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.695 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 83.8 mtp180 -60.98 -35.62 77.29 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' B' ' 38' ' ' ARG . 44.1 ttm180 -67.29 -46.25 74.17 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 -176.038 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ARG . . . . . 1.371 ' HD3' ' NH1' ' B' ' 39' ' ' ARG . 35.8 mtm105 -60.35 -21.86 62.58 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -175.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -70.97 -55.59 8.01 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 30.9 t90 -57.7 -41.23 81.25 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 172.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.825 ' HB3' ' HA ' ' B' ' 43' ' ' ARG . 20.9 tpt180 -55.71 -69.76 0.13 Allowed 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.736 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 1.202 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 4.6 tm-20 -60.42 -37.54 81.2 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.219 0.608 . . . . 0.0 110.176 -176.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -61.2 -53.28 58.88 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -58.46 -27.35 64.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.571 -0.899 . . . . 0.0 108.571 172.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 1.202 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 36.2 tpt85 -58.19 -55.08 39.58 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.909 0.884 . . . . 0.0 109.487 173.363 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.72 ' O ' ' HG2' ' B' ' 55' ' ' ARG . . . -58.13 -51.81 68.16 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.29 64.67 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.65 -53.97 49.97 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.78 -55.43 32.48 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.72 ' HG2' ' O ' ' B' ' 51' ' ' ALA . 22.1 mmm180 . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 . . . . . 0 N--CA 1.471 0.6 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 25.8 m -152.83 149.51 28.38 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -171.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 24.3 mtp-105 -52.43 -40.2 61.91 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -65.93 -53.12 43.35 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.02 -52.29 61.28 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -178.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.68 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 99.9 mtt180 -58.71 -49.72 76.55 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 18.9 tpp85 -56.04 -59.37 5.01 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -57.88 -40.58 80.58 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 122.796 0.438 . . . . 0.0 110.131 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -63.14 -52.21 63.4 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.68 ' HG3' ' O ' ' B' ' 38' ' ' ARG . 99.5 mtt180 -55.36 -39.77 70.47 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -178.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -55.78 -57.14 13.29 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -56.79 -46.15 81.71 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -176.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' TRP . . . . . 0.854 ' O ' ' HB3' ' B' ' 48' ' ' ARG . 0.0 OUTLIER -60.43 -60.26 4.1 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.707 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -55.34 -30.25 59.89 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.602 0.761 . . . . 0.0 110.568 -166.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.33 -36.86 69.2 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 170.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.854 ' HB3' ' O ' ' B' ' 45' ' ' TRP . 15.4 tpp180 -61.52 -57.02 13.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.828 175.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 30.6 tp60 -54.54 -44.38 72.79 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.826 0.45 . . . . 0.0 109.96 -174.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -63.21 -56.64 14.97 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.09 -51.21 68.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.98 -54.83 40.06 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.11 -56.99 14.13 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.45 -57.29 12.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.449 -0.507 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 110.577 -0.157 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 68.4 p -83.66 174.73 10.26 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 45.0 mmm-85 -60.2 -29.26 68.61 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 176.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.66 ' O ' ' ND2' ' B' ' 40' ' ' ASN . 6.5 mm100 -71.35 -46.54 60.26 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.011 -175.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.677 ' O ' ' HG3' ' B' ' 41' ' ' ARG . . . -51.88 -53.94 34.88 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.239 0.616 . . . . 0.0 110.117 -175.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.732 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 61.2 ttm-85 -56.88 -40.94 77.12 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.724 ' CD ' HH12 ' B' ' 43' ' ' ARG . 24.7 tpt180 -59.62 -44.83 93.31 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -177.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ASN . . . . . 0.66 ' ND2' ' O ' ' B' ' 36' ' ' GLN . 9.6 m-80 -70.55 -42.41 71.18 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.677 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 82.1 mtp180 -55.32 -38.09 68.26 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.732 ' HG3' ' O ' ' B' ' 38' ' ' ARG . 93.2 mtt-85 -62.19 -42.89 99.7 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ARG . . . . . 0.724 HH12 ' CD ' ' B' ' 39' ' ' ARG . 61.0 mmt-85 -51.33 -35.18 36.88 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -178.334 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.742 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 0.9 OUTLIER -74.67 -56.62 4.6 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.198 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 45' ' ' TRP . . . . . 0.659 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 20.5 t90 -64.22 -48.87 74.2 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 122.758 0.423 . . . . 0.0 110.567 -176.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -56.86 -50.43 72.5 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -177.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.72 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 49.7 mt-10 -74.7 -28.16 60.69 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.172 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.742 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 15.0 tpp180 -55.53 -63.2 1.24 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -179.022 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -58.3 -29.74 66.09 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.72 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 15.8 tpp180 -58.77 -53.11 62.11 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.07 -52.42 65.59 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.98 -51.51 67.48 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.48 -52.58 63.16 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.02 -57.09 13.61 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.814 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 . . . . . 0 N--CA 1.471 0.623 0 N-CA-C 110.625 -0.139 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.432 ' O ' ' N ' ' B' ' 38' ' ' ARG . 25.1 m -152.56 148.42 27.34 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -171.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 43.5 ttp85 -57.27 -40.45 77.75 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 -176.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -59.09 -58.28 9.36 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 174.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.706 ' O ' ' HG2' ' B' ' 41' ' ' ARG . . . -55.01 -41.3 71.11 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' B' ' 42' ' ' ARG . 8.0 tpm_? -56.22 -51.11 69.28 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 -177.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.789 ' O ' ' HB2' ' B' ' 43' ' ' ARG . 31.5 ttm105 -70.17 -47.07 63.16 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -174.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ASN . . . . . 0.854 ' O ' ' HB3' ' B' ' 43' ' ' ARG . 57.3 m-20 -54.78 -58.36 7.89 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.529 0.332 . . . . 0.0 110.414 -174.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.706 ' HG2' ' O ' ' B' ' 37' ' ' ALA . 40.2 ptt180 -70.2 -48.82 55.51 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -177.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.613 ' N ' ' HG3' ' B' ' 41' ' ' ARG . 57.7 ttp180 -55.86 -31.61 62.92 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 177.001 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ARG . . . . . 0.854 ' HB3' ' O ' ' B' ' 40' ' ' ASN . 72.1 ttt-85 -50.35 -39.91 47.75 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 123.564 0.745 . . . . 0.0 109.539 174.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 1.168 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 22.5 mmt180 -74.09 -26.98 60.67 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.103 -174.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' TRP . . . . . 0.675 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 11.4 t90 -71.07 -46.27 62.21 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 1.158 ' NH1' ' HG3' ' B' ' 50' ' ' ARG . 0.8 OUTLIER -57.08 -58.97 5.86 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.699 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.479 ' HA ' ' CB ' ' B' ' 50' ' ' ARG . 40.6 tt0 -71.12 -30.87 67.06 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 1.168 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 25.1 tpt180 -54.33 -73.69 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -62.24 -23.12 66.48 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 1.158 ' HG3' ' NH1' ' B' ' 46' ' ' ARG . 1.2 tmt_? -58.57 -58.55 8.04 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.9 -54.43 42.67 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.35 -51.91 66.51 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.37 -53.9 50.36 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.7 -48.92 74.3 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.381 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.832 ' OD1' ' NH2' ' B' ' 41' ' ' ARG . 13.2 t70 . . . . . 0 N--CA 1.471 0.583 0 CA-C-O 120.769 0.318 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 67.0 p -84.01 175.03 9.82 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 23.6 mtp-105 -54.72 -32.22 59.34 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -67.13 -52.71 38.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.62 -46.66 49.61 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.22 0.608 . . . . 0.0 110.085 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' B' ' 42' ' ' ARG . 99.2 mtt180 -57.95 -51.85 67.92 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 177.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.675 ' HA ' ' HB3' ' B' ' 42' ' ' ARG . 58.4 ttt85 -64.28 -44.5 91.5 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -176.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' B' ' 44' ' ' ARG . 73.9 m-20 -54.48 -42.73 71.03 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.928 ' O ' ' HB3' ' B' ' 44' ' ' ARG . 89.7 mtm180 -74.97 -36.59 62.05 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 174.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.675 ' HB3' ' HA ' ' B' ' 39' ' ' ARG . 15.1 tpp180 -58.09 -58.72 7.19 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -52.04 -30.19 24.5 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 172.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 1.017 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 16.9 tpp180 -62.04 -47.76 83.28 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.859 -175.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' TRP . . . . . 0.407 ' O ' ' CB ' ' B' ' 49' ' ' GLN . 81.3 t90 -57.79 -43.21 85.44 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -178.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -67.16 -62.61 1.34 Allowed 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -176.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.684 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 50.7 mt-10 -55.0 -43.94 74.05 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 1.017 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 0.7 OUTLIER -60.68 -56.6 19.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -179.693 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.407 ' CB ' ' O ' ' B' ' 45' ' ' TRP . 11.7 tp-100 -59.07 -27.05 65.16 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.684 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 16.0 tpp180 -58.61 -50.07 75.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -178.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.12 -54.05 49.73 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.06 -51.25 68.5 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.54 -55.65 29.46 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.87 -56.5 19.91 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -179.661 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 . . . . . 0 N--CA 1.471 0.595 0 N-CA-C 110.589 -0.152 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 52.9 p -83.81 171.41 13.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 25.9 mtp-105 -60.29 -33.88 72.97 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' B' ' 40' ' ' ASN . 16.4 mp0 -65.34 -50.84 64.09 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 1.033 ' O ' ' HB2' ' B' ' 41' ' ' ARG . . . -55.66 -40.73 72.64 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.819 ' O ' ' HG2' ' B' ' 42' ' ' ARG . 84.4 mtp180 -70.12 -44.75 68.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 176.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' B' ' 43' ' ' ARG . 24.4 tpt180 -58.68 -62.92 1.5 Allowed 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ASN . . . . . 0.678 ' O ' ' HB3' ' B' ' 43' ' ' ARG . 48.1 m-20 -53.21 -36.79 61.38 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 173.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 1.033 ' HB2' ' O ' ' B' ' 37' ' ' ALA . 69.7 ttt-85 -57.02 -50.34 73.01 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.486 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 1.293 ' CB ' ' NH2' ' B' ' 46' ' ' ARG . 31.9 mmt180 -67.25 -36.02 80.75 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ARG . . . . . 0.678 ' HB3' ' O ' ' B' ' 40' ' ' ASN . 4.2 tpm_? -48.58 -46.42 39.25 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.383 1.073 . . . . 0.0 109.924 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 94.3 mtt-85 -73.91 -44.01 56.57 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.312 -173.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -63.08 -34.32 77.34 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 122.719 0.408 . . . . 0.0 110.186 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 1.293 ' NH2' ' CB ' ' B' ' 42' ' ' ARG . 4.1 tpp180 -55.81 -64.42 0.86 Allowed 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -59.62 -43.17 93.9 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.83 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 1.6 tmm_? -54.37 -54.01 46.33 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 -177.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -55.07 -43.54 73.96 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 122.77 0.428 . . . . 0.0 110.115 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' B' ' 46' ' ' ARG . 30.1 mmt180 -58.9 -56.41 22.58 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -177.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' B' ' 55' ' ' ARG . . . -55.6 -47.42 76.53 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -177.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.16 -54.92 22.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.36 -51.74 65.79 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.81 -57.58 11.43 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' B' ' 51' ' ' ALA . 77.2 mtp180 . . . . . 0 N--CA 1.45 -0.458 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 . . . . . 0 N--CA 1.471 0.607 0 CA-C-O 120.555 0.217 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 33.2 m -153.88 148.87 26.72 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -171.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -49.76 -25.46 3.04 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.46 0.704 . . . . 0.0 109.937 -175.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -71.33 -57.82 4.1 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.02 -45.29 61.19 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.34 0.656 . . . . 0.0 110.674 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -55.81 -63.06 1.3 Allowed 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -44.04 64.72 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.928 0.491 . . . . 0.0 109.893 -177.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ASN . . . . . 0.402 ' O ' ' HB2' ' B' ' 44' ' ' ARG . 66.9 m-20 -61.76 -41.68 98.0 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -178.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -75.07 -52.97 9.71 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -53.84 -48.94 69.46 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -58.64 -58.01 10.46 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 61.9 ttm-85 -55.57 -43.56 76.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.861 -177.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 28.5 t90 -58.31 -48.41 80.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -175.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' B' ' 50' ' ' ARG . 88.7 mtm180 -58.59 -56.25 24.62 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 -177.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.468 ' HA ' ' CB ' ' B' ' 50' ' ' ARG . 12.2 mm-40 -56.23 -38.63 71.33 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -178.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 1.4 tmm_? -59.92 -52.25 66.22 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -65.96 -33.84 76.74 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' B' ' 46' ' ' ARG . 1.2 tmt_? -58.38 -57.6 12.21 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.96 -53.36 56.64 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.61 -46.64 80.8 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.51 -3.54 15.09 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 119.604 -0.236 . . . . 0.0 110.936 -175.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.14 57.15 0.15 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.427 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.416 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.471 0.585 0 CA-C-O 120.503 0.192 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 87.4 m -156.02 152.88 28.64 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -171.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 20.1 tpp85 -51.61 -49.98 61.12 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 -178.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -59.29 -56.04 27.2 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' B' ' 41' ' ' ARG . . . -53.74 -48.34 69.75 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -178.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 -60.36 -53.21 60.37 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -57.04 -52.78 63.92 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ASN . . . . . 0.797 ' O ' ' HB3' ' B' ' 43' ' ' ARG . 64.8 m-20 -62.83 -50.89 69.18 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.472 ' CB ' ' O ' ' B' ' 37' ' ' ALA . 35.6 ttm180 -59.24 -48.55 81.2 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.591 ' O ' ' HB2' ' B' ' 46' ' ' ARG . 70.0 ttp85 -53.67 -27.98 30.78 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ARG . . . . . 0.99 ' CG ' HH21 ' B' ' 44' ' ' ARG . 2.3 tpp180 -56.87 -45.58 82.39 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.99 HH21 ' CG ' ' B' ' 43' ' ' ARG . 5.9 mmp_? -59.8 -61.41 2.63 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.061 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -57.88 -49.26 77.31 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.131 -177.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.673 HH12 ' CG ' ' B' ' 50' ' ' ARG . 0.2 OUTLIER -59.53 -54.79 42.44 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -176.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -66.49 -32.17 73.37 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 14.5 tpp180 -55.25 -65.73 0.54 Allowed 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -176.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -58.77 -28.22 65.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.673 ' CG ' HH12 ' B' ' 46' ' ' ARG . 0.4 OUTLIER -58.89 -53.72 55.23 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.645 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.04 -45.38 90.91 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.67 ' O ' ' HB3' ' B' ' 55' ' ' ARG . . . -56.5 -44.95 81.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 -175.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.07 -50.89 68.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -176.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.06 -40.4 73.49 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.67 ' HB3' ' O ' ' B' ' 52' ' ' ALA . 22.2 tpt180 . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 . . . . . 0 N--CA 1.47 0.567 0 CA-C-O 120.556 0.217 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.53 ' O ' ' N ' ' B' ' 38' ' ' ARG . 53.4 m -153.44 152.62 31.22 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -172.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 23.9 mtp-105 -47.38 -53.72 13.09 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 123.865 0.866 . . . . 0.0 109.335 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -56.36 -53.97 51.01 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.302 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.3 95.48 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 176.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' B' ' 34' ' ' THR . 7.3 tpm_? -55.99 -57.93 10.05 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 74.0 mtp85 -57.75 -51.25 70.34 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -176.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -57.17 -45.91 83.24 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -64.26 -41.11 97.1 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -66.87 -35.66 80.53 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -174.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ARG . . . . . 0.785 ' HA ' ' HB3' ' B' ' 46' ' ' ARG . 7.2 tmm_? -64.39 -17.95 64.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -176.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.881 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 29.1 mmt180 -72.0 -59.1 2.92 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 172.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' TRP . . . . . 0.462 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 43.2 t90 -58.24 -36.99 74.02 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 174.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.785 ' HB3' ' HA ' ' B' ' 43' ' ' ARG . 78.2 ttt180 -55.58 -79.68 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.771 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 4.5 tm-20 -53.95 -36.76 63.17 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -178.341 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.881 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 24.2 tpt180 -48.56 -61.12 2.18 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.955 0.902 . . . . 0.0 110.132 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -74.14 -14.67 61.0 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.771 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 16.6 tpp180 -58.88 -40.65 85.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 174.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.3 -44.01 76.4 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.59 -52.19 65.75 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.48 -52.29 65.99 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.69 -54.88 38.84 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 61.7 ttm-85 . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.323 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 110.672 -0.122 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.528 ' O ' ' N ' ' B' ' 38' ' ' ARG . 16.2 m -152.55 148.07 26.94 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -172.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.736 ' O ' ' HB3' ' B' ' 38' ' ' ARG . 90.8 mtm-85 -53.48 -30.74 42.55 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -176.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -62.79 -64.3 0.96 Allowed 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 173.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' B' ' 41' ' ' ARG . . . -58.58 -10.74 2.4 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 173.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.834 ' CD ' HH21 ' B' ' 41' ' ' ARG . 11.2 tpt180 -75.39 -52.89 9.7 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -175.092 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 1.298 ' O ' ' HB2' ' B' ' 43' ' ' ARG . 99.7 mtt180 -61.44 -38.21 86.35 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -63.11 -56.28 18.17 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.446 -173.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.834 HH21 ' CD ' ' B' ' 38' ' ' ARG . 36.5 ptt180 -65.09 -54.27 32.65 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.755 ' O ' ' HB2' ' B' ' 46' ' ' ARG . 66.9 mtm180 -67.32 -27.81 67.46 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ARG . . . . . 1.298 ' HB2' ' O ' ' B' ' 39' ' ' ARG . 2.9 tmm_? -56.5 -53.0 62.62 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.818 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 94.3 mtt-85 -55.54 -60.98 2.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' TRP . . . . . 0.459 ' O ' ' CB ' ' B' ' 49' ' ' GLN . 34.1 t90 -57.64 -33.25 68.08 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.813 ' HB3' ' O ' ' B' ' 43' ' ' ARG . 78.9 ttt180 -55.73 -73.97 0.05 Allowed 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 123.437 0.695 . . . . 0.0 109.789 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.978 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 3.9 tm-20 -58.59 -45.43 89.11 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 123.078 0.551 . . . . 0.0 109.556 176.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.818 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 0.5 OUTLIER -55.47 -58.33 8.21 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.046 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.459 ' CB ' ' O ' ' B' ' 45' ' ' TRP . 67.8 tp60 -57.31 -29.25 63.76 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 176.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.978 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 73.4 ttt-85 -58.77 -55.41 35.49 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.724 177.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.68 -48.91 74.29 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.413 ' HB2' ' NH1' ' B' ' 48' ' ' ARG . . . -55.95 -53.08 61.25 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -178.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.15 -55.96 26.68 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.94 -57.68 11.74 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 -179.893 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 48.8 p30 . . . . . 0 N--CA 1.471 0.598 0 N-CA-C 110.605 -0.146 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 65.8 p -143.72 -177.74 5.56 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.116 0.966 . . . . 0.0 108.636 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 5.3 tpp85 -51.67 -41.32 61.3 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.359 0.664 . . . . 0.0 109.86 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -64.0 -55.99 18.33 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -173.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.897 ' O ' ' HG3' ' B' ' 41' ' ' ARG . . . -50.69 -47.24 58.94 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.169 0.587 . . . . 0.0 110.444 -176.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 18.3 mmt85 -61.34 -54.15 47.55 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -55.53 -52.15 64.66 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -176.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' B' ' 44' ' ' ARG . 51.2 m-20 -52.88 -44.82 67.13 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.833 0.453 . . . . 0.0 110.109 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.897 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 94.5 mtt-85 -56.87 -52.98 62.99 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -177.286 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -54.58 -56.01 23.4 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -178.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -54.12 -43.01 70.11 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 173.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.795 ' HB3' ' O ' ' B' ' 41' ' ' ARG . 18.1 tpp180 -53.17 -49.83 65.84 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 123.526 0.73 . . . . 0.0 110.119 -177.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -59.61 -55.86 29.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 -176.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 1.061 ' O ' ' HB2' ' B' ' 50' ' ' ARG . 76.9 mtm180 -56.85 -35.61 69.06 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -174.172 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.552 ' CD ' ' C ' ' B' ' 47' ' ' GLU . 2.9 tm-20 -68.32 -56.42 8.64 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.34 -58.19 9.24 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -177.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -63.06 -47.07 84.54 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -175.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 1.061 ' HB2' ' O ' ' B' ' 46' ' ' ARG . 1.1 tmm_? -58.73 -56.84 16.94 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -176.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.72 -49.5 74.98 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -178.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 1.358 ' O ' ' CG ' ' B' ' 55' ' ' ARG . . . -56.27 -56.86 15.83 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.119 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.15 -55.34 34.24 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -178.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.75 -25.59 41.4 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 1.358 ' CG ' ' O ' ' B' ' 52' ' ' ALA . 6.2 ppt_? . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 . . . . . 0 N--CA 1.471 0.595 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.97 ' O ' ' HG2' ' B' ' 38' ' ' ARG . 74.2 p -141.47 173.57 11.37 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.198 0.999 . . . . 0.0 109.004 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.578 ' O ' ' HG2' ' B' ' 39' ' ' ARG . 19.0 tpp85 -59.97 -49.42 77.74 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -56.45 -52.96 62.71 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -176.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 1.27 ' O ' ' HB2' ' B' ' 41' ' ' ARG . . . -52.13 -43.81 64.19 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.97 ' HG2' ' O ' ' B' ' 34' ' ' THR . 31.0 mmt180 -59.03 -60.8 3.29 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 177.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.578 ' HG2' ' O ' ' B' ' 35' ' ' ARG . 24.3 mmm180 -53.91 -61.65 2.17 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -177.115 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -55.41 -30.15 59.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 176.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 1.27 ' HB2' ' O ' ' B' ' 37' ' ' ALA . 56.5 ttt85 -70.86 -45.13 64.98 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.778 -175.376 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.726 ' O ' ' HG2' ' B' ' 46' ' ' ARG . 1.1 mpt_? -58.03 -57.75 11.46 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -177.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ARG . . . . . 0.786 ' HA ' ' CG ' ' B' ' 46' ' ' ARG . 11.8 ptp180 -55.96 -31.54 63.07 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 -171.31 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 85.2 mtt-85 -57.82 -51.39 69.78 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 174.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' TRP . . . . . 0.688 ' O ' ' HB3' ' B' ' 48' ' ' ARG . 37.8 t90 -66.76 -34.19 77.28 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.523 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.786 ' CG ' ' HA ' ' B' ' 43' ' ' ARG . 20.9 mmm180 -55.79 -68.03 0.24 Allowed 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.588 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 87.9 tt0 -54.79 -30.02 55.87 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.688 ' HB3' ' O ' ' B' ' 45' ' ' TRP . 14.6 tpp180 -56.12 -60.11 3.95 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -65.09 -29.91 70.82 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.588 ' HB3' ' HA ' ' B' ' 47' ' ' GLU . 15.7 tpp180 -58.83 -54.93 41.59 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' B' ' 55' ' ' ARG . . . -56.08 -49.55 73.49 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.93 -50.29 71.15 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -56.07 24.46 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.65 -55.39 33.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.417 ' CB ' ' O ' ' B' ' 51' ' ' ALA . 73.7 ttt-85 . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.2 p -83.9 178.76 7.76 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.706 ' O ' ' HG2' ' B' ' 39' ' ' ARG . 22.2 mtp-105 -55.55 -21.93 19.3 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 177.183 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.76 -43.06 98.5 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 123.388 0.675 . . . . 0.0 110.152 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.649 ' O ' ' HG2' ' B' ' 41' ' ' ARG . . . -54.74 -49.85 69.82 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -178.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -57.18 -31.81 65.81 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 1.158 ' O ' ' HB2' ' B' ' 43' ' ' ARG . 24.4 mmm180 -79.31 -40.68 29.79 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ASN . . . . . 0.442 ' O ' ' HB3' ' B' ' 43' ' ' ARG . 67.7 m-20 -71.86 -71.78 0.26 Allowed 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -174.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.649 ' HG2' ' O ' ' B' ' 37' ' ' ALA . 40.0 ptt180 -64.07 -47.85 78.51 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.409 ' N ' ' HG3' ' B' ' 41' ' ' ARG . 56.6 ttt-85 -46.83 -43.6 18.64 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.092 0.957 . . . . 0.0 110.338 174.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ARG . . . . . 1.158 ' HB2' ' O ' ' B' ' 39' ' ' ARG . 6.1 tmm_? -54.96 -52.14 63.97 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 -61.18 -51.55 68.55 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 -177.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' TRP . . . . . 0.423 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 38.5 t90 -57.28 -14.03 3.94 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.542 HH22 HH11 ' B' ' 50' ' ' ARG . 0.2 OUTLIER -72.34 -57.76 3.94 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.728 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.831 ' OE1' ' HG3' ' B' ' 48' ' ' ARG . 1.3 pp20? -75.36 -27.28 59.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -177.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.831 ' HG3' ' OE1' ' B' ' 47' ' ' GLU . 95.9 mtt180 -62.4 -37.7 86.8 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 174.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.15 -49.3 78.4 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -178.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.744 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 17.1 ptm180 -64.5 -40.69 96.12 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.062 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.15 -45.25 75.66 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -175.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.72 -52.41 65.6 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.18 -56.2 23.51 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.25 -56.05 24.37 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.115 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.573 ' O ' ' HD3' ' B' ' 38' ' ' ARG . 81.5 p -142.07 177.17 8.4 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.151 0.98 . . . . 0.0 108.71 179.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 24.4 mtp-105 -59.2 -33.28 70.77 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -176.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -57.05 -51.79 67.84 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.48 -39.43 67.5 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.463 0.305 . . . . 0.0 110.212 -176.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.573 ' HD3' ' O ' ' B' ' 34' ' ' THR . 1.4 mpt_? -57.8 -63.75 1.14 Allowed 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -176.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' B' ' 43' ' ' ARG . 88.7 mtm-85 -57.93 -43.96 86.6 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -176.144 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ASN . . . . . 0.432 ' O ' ' HB3' ' B' ' 43' ' ' ARG . 54.8 m-20 -55.57 -60.93 2.73 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -57.17 -52.46 65.23 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 176.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.451 ' HB3' ' HA ' ' B' ' 39' ' ' ARG . 58.5 ttt85 -52.49 -33.2 43.72 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.12 -179.098 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ARG . . . . . 0.543 ' N ' ' O ' ' B' ' 39' ' ' ARG . 37.7 ttm180 -56.93 -45.16 82.93 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.729 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 1.0 OUTLIER -62.55 -47.8 82.29 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -177.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -57.79 -59.41 5.26 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -177.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -59.73 -50.61 73.16 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.524 ' CD ' ' C ' ' B' ' 47' ' ' GLU . 5.3 tm-20 -55.93 -48.9 74.89 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.729 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 1.1 tmm_? -55.22 -55.32 32.6 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -56.44 -36.95 69.61 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.492 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 61.9 ttm-85 -58.8 -52.55 65.22 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.58 -50.03 71.18 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.97 -55.71 29.43 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.32 -54.55 45.5 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.79 -53.84 51.73 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? . . . . . 0 N--CA 1.45 -0.444 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 -178.861 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -156.11 -177.0 6.26 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 1.259 ' O ' ' HG2' ' B' ' 39' ' ' ARG . 23.5 mtp-105 -56.46 -47.29 79.49 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -175.105 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' B' ' 39' ' ' ARG . 30.0 mm100 -56.89 -50.26 73.05 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -176.139 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.569 ' O ' ' CB ' ' B' ' 41' ' ' ARG . . . -55.55 -55.79 27.82 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' B' ' 42' ' ' ARG . 94.1 mtt-85 -55.59 -35.98 66.4 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 1.259 ' HG2' ' O ' ' B' ' 35' ' ' ARG . 25.0 mmm180 -63.1 -70.79 0.19 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ASN . . . . . 0.65 ' O ' ' HG2' ' B' ' 44' ' ' ARG . 20.2 p30 -62.35 -24.77 67.53 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -177.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.569 ' CB ' ' O ' ' B' ' 37' ' ' ALA . 39.2 ttm180 -75.74 -55.15 5.92 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 177.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' B' ' 38' ' ' ARG . 61.7 ttm-85 -56.02 -37.87 69.76 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -56.95 -41.04 77.54 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' B' ' 40' ' ' ASN . 29.1 mmt180 -60.06 -54.6 44.05 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 29.6 t90 -57.7 -51.25 70.31 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.075 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' B' ' 50' ' ' ARG . 56.1 ttp180 -62.84 -40.2 96.72 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -174.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 1.114 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 36.3 tt0 -70.99 -44.37 66.1 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -61.23 -50.03 74.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -56.88 -30.84 64.25 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 173.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 1.114 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 25.8 tpt180 -58.51 -55.07 39.85 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 123.958 0.903 . . . . 0.0 109.627 176.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.63 -53.04 62.62 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.64 -54.96 40.97 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.47 -50.94 70.27 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.71 -51.49 67.14 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 81.0 ttt180 . . . . . 0 N--CA 1.449 -0.494 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.572 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 . . . . . 0 N--CA 1.47 0.575 0 N-CA-C 110.726 -0.102 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 6.1 m -149.8 150.43 31.99 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -173.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.938 ' O ' ' HB2' ' B' ' 39' ' ' ARG . 23.6 mmt85 -52.2 -32.1 34.85 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 178.071 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -71.19 -61.46 1.76 Allowed 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.413 0.685 . . . . 0.0 109.695 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.67 -57.43 9.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.373 0.669 . . . . 0.0 110.139 -177.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 57.0 ttp85 -56.69 -52.95 62.96 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.938 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 13.3 tpt180 -52.73 -56.45 15.47 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.481 0.712 . . . . 0.0 109.76 -175.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -63.0 -49.76 73.41 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.89 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -60.65 -37.74 82.55 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -55.78 -46.38 77.95 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -176.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ARG . . . . . 0.656 ' HG3' ' OE1' ' B' ' 47' ' ' GLU . 68.2 ttp85 -55.9 -34.95 66.02 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 1.275 ' O ' ' HG2' ' B' ' 48' ' ' ARG . 25.5 mmt180 -64.54 -48.54 74.68 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -177.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' TRP . . . . . 0.836 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 90.5 t90 -57.74 -54.37 47.7 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -177.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 40.2 mtm105 -57.5 -58.63 7.45 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -177.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.656 ' OE1' ' HG3' ' B' ' 43' ' ' ARG . 0.4 OUTLIER -54.87 -29.84 56.52 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.538 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 1.275 ' HG2' ' O ' ' B' ' 44' ' ' ARG . 22.4 mmm180 -55.75 -47.29 77.21 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.183 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -67.12 -36.99 83.08 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -173.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -58.74 -48.49 81.0 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.1 -52.53 63.98 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.98 -54.78 42.76 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.54 -55.61 32.57 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -178.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.54 -56.65 17.78 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 . . . . . 0 N--CA 1.45 -0.45 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 110.514 -0.18 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.653 ' O ' ' HB2' ' B' ' 38' ' ' ARG . 9.4 t -156.26 174.02 16.01 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.749 ' HB3' ' NH1' ' B' ' 39' ' ' ARG . 38.5 mtm105 -55.08 -46.35 75.46 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 122.631 0.372 . . . . 0.0 110.44 -174.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -60.07 -67.45 0.39 Allowed 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 1.229 ' O ' ' HG3' ' B' ' 41' ' ' ARG . . . -52.69 -25.21 10.3 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.02 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.725 ' O ' ' HB2' ' B' ' 41' ' ' ARG . 22.9 tpt180 -75.74 -54.88 6.25 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -177.369 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.749 ' NH1' ' HB3' ' B' ' 35' ' ' ARG . 88.8 mtm-85 -63.83 -40.88 97.66 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -54.71 -31.82 58.7 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 174.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 1.229 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 81.3 mtp180 -65.86 -44.92 83.99 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -67.12 -39.07 86.59 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -53.53 -46.76 70.28 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -174.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 1.242 ' O ' ' HG2' ' B' ' 48' ' ' ARG . 42.3 mtm105 -74.19 -34.03 63.63 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -176.197 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 14.1 t90 -59.93 -42.28 93.63 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -55.81 -71.69 0.08 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.449 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.456 ' CD ' ' C ' ' B' ' 47' ' ' GLU . 4.2 tm-20 -54.12 -43.09 70.17 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.341 -178.116 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 1.242 ' HG2' ' O ' ' B' ' 44' ' ' ARG . 7.9 mmm180 -52.7 -73.94 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.22 0.608 . . . . 0.0 110.194 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -58.24 -33.76 69.71 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -175.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -58.53 -46.78 86.1 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -177.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.08 -53.95 52.24 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.82 -53.4 57.83 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.35 -50.37 69.84 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.57 -54.03 49.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 . . . . . 0 N--CA 1.471 0.593 0 CA-C-O 120.403 0.144 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 40.3 m -152.82 149.56 28.43 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -172.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 24.5 mtp-105 -54.83 -47.45 74.08 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -178.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -52.75 -59.45 4.47 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 174.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.66 -36.63 67.28 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -57.21 -47.6 80.89 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.409 ' O ' ' CB ' ' B' ' 43' ' ' ARG . 48.4 mmt-85 -64.16 -46.29 84.69 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ASN . . . . . 0.557 ' O ' ' HG3' ' B' ' 44' ' ' ARG . 51.9 m-20 -56.36 -54.04 50.2 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 -176.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -65.66 -48.83 70.78 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -67.01 -43.71 82.18 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -175.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ARG . . . . . 0.409 ' CB ' ' O ' ' B' ' 39' ' ' ARG . 27.1 ttp-105 -59.16 -34.72 72.43 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -175.459 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' B' ' 40' ' ' ASN . 84.1 mtm180 -71.82 -42.18 67.3 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 30.4 t90 -67.19 -40.01 86.47 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -55.72 -50.07 71.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -178.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.806 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 80.3 mm-40 -62.93 -30.72 71.77 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -54.31 48.09 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -178.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -57.45 -30.42 65.01 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 173.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.806 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 1.2 tmt_? -58.48 -59.67 5.0 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.409 0.684 . . . . 0.0 109.358 -179.257 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.01 -53.01 61.22 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.95 -53.12 60.65 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.79 -52.58 63.49 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.6 -53.98 49.77 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.314 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 110.573 -0.158 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -156.04 175.3 14.14 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.459 ' O ' ' HG3' ' B' ' 39' ' ' ARG . 78.2 mtt85 -55.39 -47.42 75.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -173.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -61.65 -65.07 0.75 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -178.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.574 ' O ' ' HG3' ' B' ' 41' ' ' ARG . . . -50.6 -31.0 14.68 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -69.91 -68.06 0.44 Allowed 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 175.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 84.3 mtp180 -51.01 -34.27 28.63 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.381 0.672 . . . . 0.0 110.596 -173.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ASN . . . . . 0.545 ' O ' ' HB2' ' B' ' 44' ' ' ARG . 77.6 m-20 -63.16 -37.45 87.26 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 38.0 mtm105 -76.82 -49.73 15.12 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -179.127 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 1.187 ' O ' ' CB ' ' B' ' 46' ' ' ARG . 39.1 mmt180 -56.16 -46.45 79.31 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -64.05 -30.85 71.89 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.545 ' HB2' ' O ' ' B' ' 40' ' ' ASN . 22.0 tpp180 -70.36 -70.97 0.26 Allowed 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.007 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' TRP . . . . . 0.636 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 23.1 t90 -57.58 -39.93 77.86 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.386 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 1.187 ' CB ' ' O ' ' B' ' 42' ' ' ARG . 20.1 tpt180 -55.53 -66.85 0.35 Allowed 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.805 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 88.7 tt0 -55.06 -33.09 62.43 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 174.216 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.636 ' HB3' ' HA ' ' B' ' 45' ' ' TRP . 74.6 ttt-85 -59.15 -45.59 90.59 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 -177.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -57.68 -33.48 68.4 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 177.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.805 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 19.2 tpp180 -64.44 -52.07 59.91 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.012 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.9 -54.17 46.01 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -176.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.545 ' O ' ' HB2' ' B' ' 55' ' ' ARG . . . -55.99 -51.71 66.76 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.45 -60.23 4.18 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.5 32.68 0.35 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ARG . . . . . 0.545 ' HB2' ' O ' ' B' ' 52' ' ' ALA . 54.2 ttp180 . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . 0.62 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 C4'-C3'-C2' 100.222 -2.478 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . 0.62 " H5'" " O2'" ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.2 0 C4'-C3'-C2' 100.079 -2.621 . 0.506 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.545 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.88 0 O4'-C1'-N19 111.567 3.367 . 0.609 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.543 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 O4'-C1'-N19 111.64 3.44 . 0.591 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 0.97 " O2'" " H5'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.189 1 O4'-C1'-N19 112.29 4.09 . 0.594 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . 1.288 " O2'" ' C8 ' ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 O4'-C1'-N19 111.936 3.736 . 0.535 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . 1.295 ' N7 ' ' HB3' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.422 -2.544 1 C5'-C4'-C3' 109.369 -4.088 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . 0.518 ' C8 ' ' HG2' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C5'-C4'-C3' 110.386 -3.409 . 0.707 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . 0.64 " O2'" " H5'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.228 1 O4'-C1'-N19 113.145 4.945 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . 0.64 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 C4'-C3'-C2' 100.343 -2.357 . 0.497 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 O4'-C1'-N19 110.621 2.421 . 0.6 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C5'-C4'-C3' 111.122 -2.919 . 0.406 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ' G' . . . . . 0.838 ' H8 ' ' OP2' ' A' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 C4'-C3'-C2' 99.784 -2.916 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . 0.477 " O2'" " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 O4'-C1'-N19 111.23 3.03 . 0.505 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ' G' . . . . . 0.812 " H2'" " H5'" ' A' ' 56' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.741 0 C4'-C3'-C2' 100.187 -2.513 . 0.538 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ' C' . . . . . 0.812 " H5'" " H2'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.632 1 O4'-C1'-N19 113.439 5.239 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ' A' . . . . . 0.923 " H2'" ' C8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.301 0 C3'-C2'-C1' 104.191 2.99 . 0.254 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ' A' . . . . . 0.923 ' C8 ' " H2'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C5'-C4'-C3' 112.258 -2.162 . 0.503 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . 0.413 ' H8 ' H5'' ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C5'-C4'-C3' 111.098 -2.934 . 0.725 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ' C' . . . . . 0.642 " H2'" ' C6 ' ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.915 0 O4'-C1'-N19 111.937 3.737 . 0.673 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . 0.751 ' OP2' ' HD2' ' B' ' 35' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 O4'-C1'-N19 111.584 3.384 . 0.586 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . 1.47 " O5'" ' C8 ' ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 O4'-C1'-N19 111.247 3.047 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 O4'-C1'-N19 111.47 3.27 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . 0.633 " O2'" " H5'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.053 1 O4'-C1'-N19 113.23 5.03 . 0.0 OUTLIER '7D dist 6j' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . 1.023 " H3'" " H2'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 C5'-C4'-C3' 112.169 -2.221 . 0.616 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . 1.276 " H4'" " C5'" ' A' ' 72' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.844 0 C5'-C4'-C3' 111.144 -2.904 . 0.011 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . 1.276 " C5'" " H4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.617 1 O4'-C1'-N19 112.99 4.79 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . 0.993 " O2'" " H5'" ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C5'-C4'-C3' 110.907 -3.062 . 0.455 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . 1.442 ' C6 ' ' OP2' ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.296 1 O5'-C5'-C4' 115.81 4.007 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . 0.411 ' C6 ' ' C5 ' ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 C4'-C3'-C2' 100.076 -2.624 . 0.686 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . 0.537 ' C2 ' ' C8 ' ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.991 0 C5'-C4'-C3' 111.644 -2.571 . 0.765 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . 0.537 ' C8 ' ' C2 ' ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.458 0 C5'-C4'-C3' 111.602 -2.599 . 0.852 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . 0.642 " H2'" ' C6 ' ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.588 1 O4'-C1'-N19 112.922 4.722 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . 0.642 ' C6 ' " H2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.972 1 P-O3'-C3' 127.43 6.442 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.7 p -87.39 174.16 8.7 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.751 ' HD2' ' OP2' ' A' ' 66' ' ' ' U' . 23.3 mtp-105 -59.83 -37.91 80.57 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 1.295 ' HB3' ' N7 ' ' A' ' 47' ' ' ' G' . 22.3 mp0 -71.08 -55.72 7.64 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.263 -0.644 . . . . 0.0 109.263 -176.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.695 ' O ' ' HG3' ' B' ' 41' ' ' ARG . . . -47.52 -46.69 27.76 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.859 0.864 . . . . 0.0 110.452 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' B' ' 35' ' ' ARG . 16.3 ptm180 -70.04 -48.37 58.19 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 1.371 ' NH1' ' HD3' ' B' ' 43' ' ' ARG . 29.2 tpt85 -55.35 -45.5 76.47 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ASN . . . . . 0.456 ' HB3' ' N7 ' ' A' ' 46' ' ' ' G' . 71.6 m-20 -65.52 -50.85 63.7 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.695 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 83.8 mtp180 -60.98 -35.62 77.29 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' B' ' 38' ' ' ARG . 44.1 ttm180 -67.29 -46.25 74.17 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 -176.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 1.371 ' HD3' ' NH1' ' B' ' 39' ' ' ARG . 35.8 mtm105 -60.35 -21.86 62.58 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -175.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.924 ' NH2' ' O4 ' ' A' ' 45' ' ' ' U' . 26.4 mmt180 -70.97 -55.59 8.01 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 176.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 30.9 t90 -57.7 -41.23 81.25 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 172.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.825 ' HB3' ' HA ' ' B' ' 43' ' ' ARG . 20.9 tpt180 -55.71 -69.76 0.13 Allowed 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.736 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 1.202 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 4.6 tm-20 -60.42 -37.54 81.2 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.219 0.608 . . . . 0.0 110.176 -176.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -61.2 -53.28 58.88 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -58.46 -27.35 64.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.571 -0.899 . . . . 0.0 108.571 172.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 1.202 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 36.2 tpt85 -58.19 -55.08 39.58 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.909 0.884 . . . . 0.0 109.487 173.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.72 ' O ' ' HG2' ' B' ' 55' ' ' ARG . . . -58.13 -51.81 68.16 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.29 64.67 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.65 -53.97 49.97 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.78 -55.43 32.48 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.72 ' HG2' ' O ' ' B' ' 51' ' ' ALA . 22.1 mmm180 . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . 0.42 ' C6 ' ' C5 ' ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 C4'-C3'-C2' 100.07 -2.63 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . 0.511 " O2'" " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.778 0 C5'-C4'-C3' 111.001 -2.999 . 0.696 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.511 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.799 0 O4'-C1'-N19 111.392 3.192 . 0.631 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.496 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 O4'-C1'-N19 111.06 2.86 . 0.676 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 1.094 ' C6 ' ' NH1' ' B' ' 44' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 O4'-C1'-N19 111.467 3.267 . 0.695 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . 0.994 " H5'" " O2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.671 0 O4'-C1'-N19 111.15 2.95 . 0.404 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . 0.874 ' C8 ' ' HG2' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C4'-C3'-C2' 100.132 -2.568 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . 0.763 " O3'" ' H6 ' ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C5'-C4'-C3' 110.024 -3.65 . 0.779 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . 0.763 ' H6 ' " O3'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.314 1 O4'-C1'-N19 112.761 4.561 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . 0.622 ' O6 ' ' O6 ' ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.216 0 C4'-C3'-C2' 100.174 -2.526 . 0.586 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 0.55 " H2'" ' C8 ' ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 111.578 3.378 . 0.609 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . 0.762 " H2'" ' C8 ' ' A' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.957 0 C4'-C3'-C2' 100.187 -2.513 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ' G' . . . . . 0.885 " C3'" ' C6 ' ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 C4'-C3'-C2' 100.217 -2.483 . 0.579 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . 0.885 ' C6 ' " C3'" ' A' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.001 2 O4'-C1'-N19 113.247 5.047 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ' G' . . . . . 1.004 " O2'" ' N6 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.427 1 P-O3'-C3' 127.858 6.799 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ' C' . . . . . 1.329 " H4'" ' N7 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.199 1 O4'-C1'-N19 112.641 4.441 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ' A' . . . . . 1.329 ' N7 ' " H4'" ' A' ' 56' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.194 0 C4'-C3'-C2' 99.632 -3.068 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ' A' . . . . . 0.973 ' N6 ' " H1'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.862 0 C5'-C4'-C3' 111.962 -2.359 . 0.305 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . 0.961 " H5'" " O2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.77 0 C5'-C4'-C3' 111.518 -2.655 . 0.458 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ' C' . . . . . 0.63 " H2'" ' C6 ' ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.952 0 O4'-C1'-N19 111.643 3.443 . 0.768 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . 0.63 ' C6 ' " H2'" ' A' ' 65' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.878 0 O4'-C1'-N19 111.498 3.298 . 0.631 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . 1.246 ' H8 ' " O5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C5'-C4'-C3' 111.225 -2.85 . 0.011 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . 0.547 " H4'" " C5'" ' A' ' 69' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 O4'-C1'-N19 111.476 3.276 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . 1.283 ' H5 ' ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.86 1 O4'-C1'-N19 112.222 4.022 . 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . 0.988 " H3'" " H2'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.11 0 C4'-C3'-C2' 100.639 -2.061 . 0.748 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . 1.262 ' H8 ' ' OP1' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.762 0 O4'-C1'-N19 111.234 3.034 . 0.01 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . 0.563 " H3'" " H4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.643 1 O4'-C1'-N19 112.88 4.68 . 0.561 6p . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . 1.222 ' H62' ' NH1' ' B' ' 43' ' ' ARG . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 O5'-C5'-C4' 114.947 3.391 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . 0.406 " O2'" " H5'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.108 0 O4'-C1'-N19 111.607 3.407 . 0.661 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . 0.411 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.055 0 C4'-C3'-C2' 100.19 -2.51 . 0.713 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . 0.411 " H5'" " O2'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 C4'-C3'-C2' 100.158 -2.542 . 0.667 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . 0.418 " O2'" " H5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.179 0 C4'-C3'-C2' 100.047 -2.653 . 0.586 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . 0.498 " H2'" ' C6 ' ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.034 0 O4'-C1'-N19 111.757 3.557 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . 0.498 ' C6 ' " H2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.752 0 O4'-C1'-N19 112.097 3.897 . 0.41 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 . . . . . 0 N--CA 1.471 0.6 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 25.8 m -152.83 149.51 28.38 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -171.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.977 ' NH2' ' O6 ' ' A' ' 67' ' ' ' G' . 24.3 mtp-105 -52.43 -40.2 61.91 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -177.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.874 ' HG2' ' C8 ' ' A' ' 47' ' ' ' G' . 4.2 mp0 -65.93 -53.12 43.35 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 178.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.02 -52.29 61.28 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -178.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.68 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 99.9 mtt180 -58.71 -49.72 76.55 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 1.283 ' NH2' ' H5 ' ' A' ' 69' ' ' ' C' . 18.9 tpp85 -56.04 -59.37 5.01 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -57.88 -40.58 80.58 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 122.796 0.438 . . . . 0.0 110.131 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -63.14 -52.21 63.4 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.68 ' HG3' ' O ' ' B' ' 38' ' ' ARG . 99.5 mtt180 -55.36 -39.77 70.47 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -178.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 1.222 ' NH1' ' H62' ' A' ' 73' ' ' ' A' . 39.7 ttm180 -55.78 -57.14 13.29 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -177.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 1.094 ' NH1' ' C6 ' ' A' ' 45' ' ' ' U' . 90.1 mtm180 -56.79 -46.15 81.71 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -176.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' TRP . . . . . 0.854 ' O ' ' HB3' ' B' ' 48' ' ' ARG . 0.0 OUTLIER -60.43 -60.26 4.1 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.707 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -55.34 -30.25 59.89 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.602 0.761 . . . . 0.0 110.568 -166.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.33 -36.86 69.2 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 170.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.854 ' HB3' ' O ' ' B' ' 45' ' ' TRP . 15.4 tpp180 -61.52 -57.02 13.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.828 175.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 30.6 tp60 -54.54 -44.38 72.79 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.826 0.45 . . . . 0.0 109.96 -174.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -63.21 -56.64 14.97 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.09 -51.21 68.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.98 -54.83 40.06 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.11 -56.99 14.13 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.45 -57.29 12.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.449 -0.507 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . 0.528 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 C4'-C3'-C2' 99.961 -2.739 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . 0.528 " H5'" " O2'" ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 C4'-C3'-C2' 100.288 -2.412 . 0.593 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.481 ' C6 ' " H2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.928 0 O4'-C1'-N19 111.514 3.314 . 0.613 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.46 ' C6 ' " H2'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.873 1 O4'-C1'-N19 112.459 4.259 OUTLIER-EPSILON 0.552 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 0.507 " H2'" ' C8 ' ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.243 1 P-O3'-C3' 127.326 6.355 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . 1.476 " O2'" ' C8 ' ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.499 0 O4'-C1'-N19 112.157 3.957 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . 1.476 ' C8 ' " O2'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 O4'-C1'-N19 109.974 1.774 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . 1.061 " O2'" ' H6 ' ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.4 0 O4'-C1'-N19 112.158 3.958 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . 1.061 ' H6 ' " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.306 1 O4'-C1'-N19 112.513 4.313 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . 0.719 " H2'" ' C6 ' ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 C4'-C3'-C2' 100.271 -2.429 . 0.44 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 0.719 ' C6 ' " H2'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.843 0 O4'-C1'-N19 111.866 3.666 . 0.451 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 C4'-C3'-C2' 100.333 -2.367 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 C4'-C3'-C2' 99.843 -2.857 . 0.626 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . 0.907 " O2'" " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 O4'-C1'-N19 111.845 3.645 . 0.602 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ' G' . . . . . 0.974 " H1'" ' N6 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.766 0 C4'-C3'-C2' 100.056 -2.644 . 0.638 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ' C' . . . . . 0.528 H5'' " H3'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.612 1 O4'-C1'-N19 113.375 5.175 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ' A' . . . . . 1.218 " O3'" ' C8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.301 0 C1'-O4'-C4' 106.199 -3.779 OUTLIER-DELTA 0.01 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ' A' . . . . . 1.218 ' C8 ' " O3'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 C5'-C4'-C3' 111.924 -2.384 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . 0.607 " O2'" " H5'" ' A' ' 65' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 C5'-C4'-C3' 111.888 -2.408 . 0.836 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ' C' . . . . . 0.607 " H5'" " O2'" ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.195 1 O4'-C1'-N19 112.506 4.306 . 0.628 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . 1.305 ' H5 ' ' NH1' ' B' ' 35' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 O4'-C1'-N19 110.964 2.764 . 0.585 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . 0.735 " H2'" ' C5 ' ' A' ' 69' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.019 0 C4'-C3'-C2' 100.156 -2.544 . 0.573 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . 0.452 ' C6 ' ' CH2' ' B' ' 45' ' ' TRP . . . . . . . . 0 O4'--C4' 1.42 -2.789 0 O4'-C1'-N19 111.94 3.74 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . 0.735 ' C5 ' " H2'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.003 1 O4'-C1'-N19 112.981 4.781 . 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . 1.317 ' N7 ' ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C5'-C4'-C3' 112.253 -2.164 . 0.547 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . 1.018 H5'' " H3'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 O4'-C1'-N19 112.044 3.844 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 1 O4'-C1'-N19 113.096 4.896 . 0.555 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . 0.444 ' C5 ' ' C5 ' ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 P-O3'-C3' 122.814 2.595 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . 0.456 " O2'" " H5'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 O4'-C1'-N19 112.136 3.936 . 0.606 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . 0.456 " H5'" " O2'" ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 C4'-C3'-C2' 100.278 -2.422 . 0.727 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . 0.412 ' C5 ' ' C6 ' ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 C5'-C4'-C3' 110.851 -3.099 . 0.65 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 0 C4'-C3'-C2' 100.278 -2.422 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . 0.435 " O2'" " H5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.112 0 O4'-C1'-N19 111.999 3.799 . 0.654 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . 0.435 " H5'" " O2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.856 0 O4'-C1'-N19 112.065 3.865 . 0.569 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 110.577 -0.157 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 68.4 p -83.66 174.73 10.26 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 1.305 ' NH1' ' H5 ' ' A' ' 66' ' ' ' U' . 45.0 mmm-85 -60.2 -29.26 68.61 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 176.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 1.056 ' HG3' ' C8 ' ' A' ' 48' ' ' ' G' . 6.5 mm100 -71.35 -46.54 60.26 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.011 -175.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.677 ' O ' ' HG3' ' B' ' 41' ' ' ARG . . . -51.88 -53.94 34.88 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.239 0.616 . . . . 0.0 110.117 -175.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.732 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 61.2 ttm-85 -56.88 -40.94 77.12 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 1.317 ' NH2' ' N7 ' ' A' ' 70' ' ' ' G' . 24.7 tpt180 -59.62 -44.83 93.31 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -177.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ASN . . . . . 0.66 ' ND2' ' O ' ' B' ' 36' ' ' GLN . 9.6 m-80 -70.55 -42.41 71.18 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.677 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 82.1 mtp180 -55.32 -38.09 68.26 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.732 ' HG3' ' O ' ' B' ' 38' ' ' ARG . 93.2 mtt-85 -62.19 -42.89 99.7 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 0.724 HH12 ' CD ' ' B' ' 39' ' ' ARG . 61.0 mmt-85 -51.33 -35.18 36.88 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -178.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.742 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 0.9 OUTLIER -74.67 -56.62 4.6 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.198 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 45' ' ' TRP . . . . . 0.659 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 20.5 t90 -64.22 -48.87 74.2 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 122.758 0.423 . . . . 0.0 110.567 -176.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -56.86 -50.43 72.5 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -177.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.72 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 49.7 mt-10 -74.7 -28.16 60.69 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.742 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 15.0 tpp180 -55.53 -63.2 1.24 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -179.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -58.3 -29.74 66.09 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.72 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 15.8 tpp180 -58.77 -53.11 62.11 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.07 -52.42 65.59 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.98 -51.51 67.48 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.48 -52.58 63.16 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.02 -57.09 13.61 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.814 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 C4'-C3'-C2' 99.997 -2.703 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . 0.737 " C3'" ' C6 ' ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 C3'-C2'-C1' 103.361 2.068 . 0.633 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.737 ' C6 ' " C3'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.15 1 O4'-C1'-N19 112.547 4.347 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.653 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.192 0 O4'-C1'-N19 111.327 3.127 . 0.58 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 0.653 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.157 1 O4'-C1'-N19 112.264 4.064 . 0.651 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . 0.599 " O2'" ' C8 ' ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.595 1 O4'-C1'-N19 112.223 4.023 . 0.759 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . 0.83 " H2'" ' C8 ' ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.506 0 C5'-C4'-C3' 111.865 -2.423 . 0.038 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . 1.034 " O2'" H5'' ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.835 0 O4'-C1'-N19 110.548 2.348 . 0.308 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . 1.034 H5'' " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.951 0 O4'-C1'-N19 112.129 3.929 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . 0.734 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 C3'-C2'-C1' 103.516 2.24 . 0.588 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 0.439 ' C4 ' ' C6 ' ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 O4'-C1'-N19 111.805 3.605 . 0.859 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . 0.431 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 C4'-C3'-C2' 100.649 -2.051 . 0.686 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 C5'-C4'-C3' 110.196 -3.536 . 0.528 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.234 0 O4'-C1'-N19 111.257 3.057 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.062 0 C4'-C3'-C2' 99.361 -3.339 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ' C' . . . . . 1.115 " H2'" ' C8 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.41 -3.615 2 O4'-C1'-N19 113.504 5.304 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ' A' . . . . . 1.234 " O3'" ' H8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.705 0 N19-C1'-C2' 108.18 -3.263 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ' A' . . . . . 1.234 ' H8 ' " O3'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 P-O3'-C3' 123.622 3.268 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.904 0 C5'-C4'-C3' 110.749 -3.167 . 0.671 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.047 0 C5'-C4'-C3' 110.377 -3.415 . 0.708 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 O4'-C1'-N19 111.675 3.475 . 0.75 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . 0.853 ' H8 ' " O5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 O4'-C1'-N19 110.074 1.874 . 0.393 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . 0.771 ' N3 ' ' HB2' ' B' ' 46' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 O4'-C1'-N19 111.231 3.031 . 0.019 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . 0.679 " O2'" " H5'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.103 1 O4'-C1'-N19 112.729 4.529 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . 0.901 ' C6 ' ' C6 ' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.052 0 C4'-C3'-C2' 100.281 -2.419 . 0.568 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . 1.098 " H4'" " H5'" ' A' ' 72' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.53 0 O4'-C1'-N19 112.136 3.936 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . 1.098 " H5'" " H4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.656 1 O4'-C1'-N19 112.758 4.558 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.118 0 C5'-C4'-C3' 111.112 -2.925 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 O4'-C1'-N19 111.816 3.616 . 0.643 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . 0.718 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 C4'-C3'-C2' 99.911 -2.789 . 0.23 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . 0.718 " H5'" " O2'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 C4'-C3'-C2' 100.421 -2.279 . 0.444 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 C4'-C3'-C2' 100.608 -2.092 . 0.843 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . 0.411 " H2'" ' H6 ' ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 O4'-C1'-N19 112.057 3.857 . 0.323 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . 0.411 ' H6 ' " H2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.922 0 O4'-C1'-N19 112.018 3.818 . 0.43 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 . . . . . 0 N--CA 1.471 0.623 0 N-CA-C 110.625 -0.139 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.432 ' O ' ' N ' ' B' ' 38' ' ' ARG . 25.1 m -152.56 148.42 27.34 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -171.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 43.5 ttp85 -57.27 -40.45 77.75 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 -176.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.465 ' HB3' ' N7 ' ' A' ' 47' ' ' ' G' . 20.4 mp0 -59.09 -58.28 9.36 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 174.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.706 ' O ' ' HG2' ' B' ' 41' ' ' ARG . . . -55.01 -41.3 71.11 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' B' ' 42' ' ' ARG . 8.0 tpm_? -56.22 -51.11 69.28 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 -177.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.789 ' O ' ' HB2' ' B' ' 43' ' ' ARG . 31.5 ttm105 -70.17 -47.07 63.16 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -174.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ASN . . . . . 0.854 ' O ' ' HB3' ' B' ' 43' ' ' ARG . 57.3 m-20 -54.78 -58.36 7.89 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.529 0.332 . . . . 0.0 110.414 -174.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.706 ' HG2' ' O ' ' B' ' 37' ' ' ALA . 40.2 ptt180 -70.2 -48.82 55.51 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -177.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.613 ' N ' ' HG3' ' B' ' 41' ' ' ARG . 57.7 ttp180 -55.86 -31.61 62.92 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 177.001 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 0.854 ' HB3' ' O ' ' B' ' 40' ' ' ASN . 72.1 ttt-85 -50.35 -39.91 47.75 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 123.564 0.745 . . . . 0.0 109.539 174.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 1.168 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 22.5 mmt180 -74.09 -26.98 60.67 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.103 -174.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' TRP . . . . . 0.675 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 11.4 t90 -71.07 -46.27 62.21 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 1.158 ' NH1' ' HG3' ' B' ' 50' ' ' ARG . 0.8 OUTLIER -57.08 -58.97 5.86 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.699 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.479 ' HA ' ' CB ' ' B' ' 50' ' ' ARG . 40.6 tt0 -71.12 -30.87 67.06 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 1.168 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 25.1 tpt180 -54.33 -73.69 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -62.24 -23.12 66.48 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 1.158 ' HG3' ' NH1' ' B' ' 46' ' ' ARG . 1.2 tmt_? -58.57 -58.55 8.04 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.9 -54.43 42.67 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.35 -51.91 66.51 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.37 -53.9 50.36 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.7 -48.92 74.3 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.381 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . 0.566 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 C4'-C3'-C2' 99.957 -2.743 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . 0.621 " H2'" ' C6 ' ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.677 1 C4'-C3'-C2' 98.573 -4.127 OUTLIER-EPSILON 0.418 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.621 ' C6 ' " H2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.034 1 P-O3'-C3' 126.939 6.033 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.488 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.087 0 O4'-C1'-N19 111.623 3.423 . 0.486 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 0.799 " O2'" " H5'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 O4'-C1'-N19 111.141 2.941 . 0.652 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . 1.003 " O2'" ' OD1' ' B' ' 40' ' ' ASN . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 O4'-C1'-N19 112.198 3.998 . 0.575 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . 1.377 " C2'" H5'' ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 O3'-P-O5' 97.035 -3.666 . 0.316 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . 1.435 " H5'" ' C8 ' ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.946 2 C5'-C4'-C3' 108.719 -4.52 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . 1.028 " H5'" " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.196 1 O4'-C1'-N19 112.823 4.623 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . 1.004 " C3'" ' C6 ' ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.835 0 C3'-C2'-C1' 103.766 2.518 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 1.004 ' C6 ' " C3'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.182 1 O4'-C1'-N19 112.612 4.412 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . 0.445 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.014 0 C4'-C3'-C2' 100.259 -2.441 . 0.595 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 C4'-C3'-C2' 100.19 -2.51 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 O4'-C1'-N19 111.237 3.037 . 0.56 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ' G' . . . . . 0.797 " O2'" H5'' ' A' ' 56' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.063 0 C4'-C3'-C2' 99.628 -3.072 . 0.67 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ' C' . . . . . 1.519 " H2'" ' C8 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.961 1 O4'-C1'-N19 113.798 5.598 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ' A' . . . . . 1.519 ' C8 ' " H2'" ' A' ' 56' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C5'-C4'-C3' 110.77 -3.153 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ' A' . . . . . 0.898 ' C8 ' " H2'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C5'-C4'-C3' 112.184 -2.21 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . 0.583 " O4'" " H2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.263 0 C5'-C4'-C3' 111.37 -2.753 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.005 0 O4'-C1'-N19 111.894 3.694 . 0.442 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 0 O4'-C1'-N19 111.405 3.205 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . 1.161 ' H8 ' " O5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 O4'-C1'-N19 110.702 2.502 . 0.095 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . 0.829 " H3'" " H5'" ' A' ' 69' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 O4'-C1'-N19 110.708 2.508 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . 0.864 ' C5 ' " H2'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.106 1 O4'-C1'-N19 112.744 4.544 . 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . 0.97 ' N7 ' ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.903 0 C4'-C3'-C2' 99.801 -2.899 . 0.507 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . 0.954 " O2'" ' C8 ' ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 O4'-C1'-N19 111.672 3.472 . 0.01 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . 0.921 " H5'" " H4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.747 1 O4'-C1'-N19 112.848 4.648 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . 1.325 ' C8 ' ' NH2' ' B' ' 43' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 C4'-C3'-C2' 100.16 -2.54 . 0.0 OUTLIER '7D dist 0a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.025 0 O4'-C1'-N19 111.9 3.7 . 0.517 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.192 0 C4'-C3'-C2' 100.176 -2.524 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 C4'-C3'-C2' 99.708 -2.992 . 0.575 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . 1.238 ' H8 ' ' OP2' ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.259 0 O5'-C5'-C4' 115.381 3.7 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . 0.566 " O2'" " H5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 O4'-C1'-N19 111.599 3.399 . 0.613 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . 0.566 " H5'" " O2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 O4'-C1'-N19 112.199 3.999 . 0.456 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.832 ' OD1' ' NH2' ' B' ' 41' ' ' ARG . 13.2 t70 . . . . . 0 N--CA 1.471 0.583 0 CA-C-O 120.769 0.318 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 67.0 p -84.01 175.03 9.82 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.775 ' NH2' ' N7 ' ' A' ' 67' ' ' ' G' . 23.6 mtp-105 -54.72 -32.22 59.34 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 178.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -67.13 -52.71 38.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.62 -46.66 49.61 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.22 0.608 . . . . 0.0 110.085 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' B' ' 42' ' ' ARG . 99.2 mtt180 -57.95 -51.85 67.92 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 177.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.97 ' NH2' ' N7 ' ' A' ' 70' ' ' ' G' . 58.4 ttt85 -64.28 -44.5 91.5 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -176.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ASN . . . . . 1.003 ' OD1' " O2'" ' A' ' 46' ' ' ' G' . 10.6 m120 -54.48 -42.73 71.03 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.928 ' O ' ' HB3' ' B' ' 44' ' ' ARG . 89.7 mtm180 -74.97 -36.59 62.05 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 174.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.68 ' NH1' ' C5 ' ' A' ' 68' ' ' ' A' . 15.1 tpp180 -58.09 -58.72 7.19 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 1.325 ' NH2' ' C8 ' ' A' ' 73' ' ' ' A' . 71.1 mtp180 -52.04 -30.19 24.5 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 172.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 1.017 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 16.9 tpp180 -62.04 -47.76 83.28 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.859 -175.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' TRP . . . . . 0.407 ' O ' ' CB ' ' B' ' 49' ' ' GLN . 81.3 t90 -57.79 -43.21 85.44 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -178.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -67.16 -62.61 1.34 Allowed 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -176.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.684 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 50.7 mt-10 -55.0 -43.94 74.05 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 1.017 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 0.7 OUTLIER -60.68 -56.6 19.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -179.693 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.407 ' CB ' ' O ' ' B' ' 45' ' ' TRP . 11.7 tp-100 -59.07 -27.05 65.16 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.684 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 16.0 tpp180 -58.61 -50.07 75.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -178.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.12 -54.05 49.73 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.06 -51.25 68.5 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.54 -55.65 29.46 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.87 -56.5 19.91 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -179.661 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . 0.749 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.211 0 C4'-C3'-C2' 100.066 -2.634 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . 0.749 " H5'" " O2'" ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.06 0 C4'-C3'-C2' 100.283 -2.417 . 0.459 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.597 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 O4'-C1'-N19 110.988 2.788 . 0.614 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.507 " H2'" ' C6 ' ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.118 0 O4'-C1'-N19 111.086 2.886 . 0.584 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 0.507 ' C6 ' " H2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.843 0 O4'-C1'-N19 111.215 3.015 . 0.613 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . 0.499 ' C8 ' " H2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.304 1 O4'-C1'-N19 113.684 5.484 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . 1.58 ' H8 ' ' P ' ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 N19-C1'-C2' 109.513 -2.429 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . 1.359 ' C8 ' " H2'" ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.085 2 C1'-O4'-C4' 105.194 -4.896 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . 1.333 ' C6 ' " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.276 1 O4'-C1'-N19 112.814 4.614 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . 0.451 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C4'-C3'-C2' 100.416 -2.284 . 0.586 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 0.569 " O2'" " H5'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.23 1 O4'-C1'-N19 112.341 4.141 . 0.676 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . 0.569 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 C4'-C3'-C2' 100.425 -2.275 . 0.611 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C5'-C4'-C3' 109.677 -3.882 . 0.314 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . 0.565 " O2'" " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 111.833 3.633 . 0.685 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ' G' . . . . . 1.192 " O2'" ' N6 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 C4'-C3'-C2' 100.088 -2.612 . 0.595 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.784 1 O4'-C1'-N19 113.396 5.196 . 0.0 OUTLIER '7D dist 1o' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ' A' . . . . . 1.192 ' N6 ' " O2'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 C5'-C4'-C3' 112.431 -2.046 . 0.056 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ' A' . . . . . 0.925 ' C8 ' " H2'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.703 0 C5'-C4'-C3' 112.217 -2.189 . 0.252 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . 0.637 " O4'" " H2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 O4'-C1'-N19 110.953 2.753 . 0.392 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.952 1 O4'-C1'-N19 112.956 4.756 . 0.156 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.869 0 O4'-C1'-N19 111.432 3.232 . 0.729 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . 0.518 ' N7 ' ' NH2' ' B' ' 35' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 C3'-C2'-C1' 103.614 2.349 . 0.607 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.767 0 O4'-C1'-N19 111.893 3.693 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . 0.764 " O2'" " H5'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.121 1 O4'-C1'-N19 112.664 4.464 . 0.013 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . 0.764 " H5'" " O2'" ' A' ' 69' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.896 0 C3'-C2'-C1' 104.284 3.094 . 0.601 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . 1.139 " O2'" ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.71 1 P-O3'-C3' 124.983 4.403 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . 0.977 " C5'" " H4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.674 1 O4'-C1'-N19 112.764 4.564 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 C5'-C4'-C3' 111.016 -2.989 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 O4'-C1'-N19 111.633 3.433 . 0.604 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . 0.547 ' C2 ' ' C5 ' ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 C4'-C3'-C2' 99.792 -2.908 . 0.186 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . 0.547 ' C5 ' ' C2 ' ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 C4'-C3'-C2' 100.432 -2.268 . 0.435 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . 0.448 " H5'" " O2'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 C4'-C3'-C2' 100.166 -2.534 . 0.56 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . 0.544 " H2'" ' C6 ' ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 O4'-C1'-N19 111.903 3.703 . 0.607 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . 0.544 ' C6 ' " H2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.704 1 O4'-C1'-N19 112.203 4.003 . 0.455 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 . . . . . 0 N--CA 1.471 0.595 0 N-CA-C 110.589 -0.152 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 52.9 p -83.81 171.41 13.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.518 ' NH2' ' N7 ' ' A' ' 67' ' ' ' G' . 25.9 mtp-105 -60.29 -33.88 72.97 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.652 ' HG2' ' C8 ' ' A' ' 48' ' ' ' G' . 16.4 mp0 -65.34 -50.84 64.09 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 1.033 ' O ' ' HB2' ' B' ' 41' ' ' ARG . . . -55.66 -40.73 72.64 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.819 ' O ' ' HG2' ' B' ' 42' ' ' ARG . 84.4 mtp180 -70.12 -44.75 68.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 176.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 1.139 ' NH2' " O2'" ' A' ' 71' ' ' ' G' . 24.4 tpt180 -58.68 -62.92 1.5 Allowed 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ASN . . . . . 1.29 ' ND2' ' O6 ' ' A' ' 47' ' ' ' G' . 48.1 m-20 -53.21 -36.79 61.38 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 173.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 1.033 ' HB2' ' O ' ' B' ' 37' ' ' ALA . 69.7 ttt-85 -57.02 -50.34 73.01 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 1.293 ' CB ' ' NH2' ' B' ' 46' ' ' ARG . 31.9 mmt180 -67.25 -36.02 80.75 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 0.678 ' HB3' ' O ' ' B' ' 40' ' ' ASN . 4.2 tpm_? -48.58 -46.42 39.25 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.383 1.073 . . . . 0.0 109.924 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 94.3 mtt-85 -73.91 -44.01 56.57 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.312 -173.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -63.08 -34.32 77.34 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 122.719 0.408 . . . . 0.0 110.186 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 1.293 ' NH2' ' CB ' ' B' ' 42' ' ' ARG . 4.1 tpp180 -55.81 -64.42 0.86 Allowed 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -59.62 -43.17 93.9 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.83 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 1.6 tmm_? -54.37 -54.01 46.33 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 -177.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -55.07 -43.54 73.96 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 122.77 0.428 . . . . 0.0 110.115 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' B' ' 46' ' ' ARG . 30.1 mmt180 -58.9 -56.41 22.58 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -177.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' B' ' 55' ' ' ARG . . . -55.6 -47.42 76.53 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -177.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.16 -54.92 22.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.36 -51.74 65.79 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.81 -57.58 11.43 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' B' ' 51' ' ' ALA . 77.2 mtp180 . . . . . 0 N--CA 1.45 -0.458 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . 0.815 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 C4'-C3'-C2' 99.996 -2.704 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . 0.815 " H5'" " O2'" ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 C4'-C3'-C2' 100.194 -2.506 . 0.459 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.647 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 O4'-C1'-N19 111.002 2.802 . 0.612 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.559 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.179 0 O4'-C1'-N19 111.384 3.184 . 0.563 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 1.04 " O2'" " H5'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.256 1 O4'-C1'-N19 112.249 4.049 . 0.688 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . 1.04 " H5'" " O2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C5'-C4'-C3' 111.967 -2.355 . 0.36 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . 1.052 ' O6 ' ' N1 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.196 0 C4'-C3'-C2' 99.852 -2.848 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . 1.061 ' N7 ' ' NE2' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C5'-C4'-C3' 110.565 -3.29 . 0.733 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . 0.969 ' H6 ' " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.251 1 O4'-C1'-N19 112.546 4.346 . 0.018 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . 0.795 " H2'" ' C6 ' ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.007 0 O4'-C1'-N19 110.444 2.244 . 0.427 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 0.795 ' C6 ' " H2'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 O4'-C1'-N19 112.075 3.875 . 0.039 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . 1.398 ' OP2' ' C8 ' ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 O5'-C5'-C4' 115.351 3.68 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ' G' . . . . . 0.415 ' C5 ' ' C5 ' ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 C4'-C3'-C2' 100.121 -2.579 . 0.633 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . 0.415 ' C5 ' ' C5 ' ' A' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.236 0 O4'-C1'-N19 111.751 3.551 . 0.623 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ' G' . . . . . 0.683 " C2'" " H5'" ' A' ' 56' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 C4'-C3'-C2' 100.069 -2.631 . 0.709 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ' C' . . . . . 0.683 " H5'" " C2'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.693 1 O4'-C1'-N19 112.947 4.747 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ' A' . . . . . 1.046 " C3'" ' C8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.911 0 C3'-C2'-C1' 104.29 3.1 . 0.507 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ' A' . . . . . 1.046 ' C8 ' " C3'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.862 0 C5'-C4'-C3' 111.866 -2.423 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.431 0 C1'-O4'-C4' 107.384 -2.462 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ' C' . . . . . 0.822 " H2'" ' C6 ' ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.869 0 O4'-C1'-N19 112.03 3.83 . 0.394 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . 1.144 " O2'" " H5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 O4'-C1'-N19 111.743 3.543 . 0.512 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . 1.144 " H5'" " O2'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C5'-C4'-C3' 111.129 -2.914 OUTLIER-DELTA 0.197 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . 1.493 ' C2 ' ' HG2' ' B' ' 46' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 C5'-C4'-C3' 109.575 -3.95 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . 0.613 " O2'" " H5'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.267 1 O4'-C1'-N19 112.967 4.767 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . 1.06 " H3'" H5'' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 C4'-C3'-C2' 100.295 -2.405 . 0.53 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . 1.06 H5'' " H3'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 O4'-C1'-N19 112.13 3.93 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . 0.748 ' OP2' ' HG3' ' B' ' 43' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.694 1 O4'-C1'-N19 112.6 4.4 . 0.56 6p . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . 1.052 ' N1 ' ' O6 ' ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.425 0 C1'-O4'-C4' 106.726 -3.193 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . 0.458 ' C5 ' ' C5 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.718 0 O4'-C1'-N19 111.99 3.79 . 0.385 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . 0.554 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 C4'-C3'-C2' 100.234 -2.466 . 0.702 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . 0.554 " H5'" " O2'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.217 0 C4'-C3'-C2' 100.107 -2.593 . 0.62 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . 0.521 ' N7 ' ' C6 ' ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.902 0 C5'-C4'-C3' 110.875 -3.084 . 0.315 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . 0.654 ' H6 ' " O5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 O4'-C1'-N19 112.198 3.998 . 0.493 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . 0.65 ' H6 ' " O5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.745 1 O4'-C1'-N19 112.388 4.188 . 0.492 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 . . . . . 0 N--CA 1.471 0.607 0 CA-C-O 120.555 0.217 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 33.2 m -153.88 148.87 26.72 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -171.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.871 ' NH2' ' O6 ' ' A' ' 67' ' ' ' G' . 72.0 ttt-85 -49.76 -25.46 3.04 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.46 0.704 . . . . 0.0 109.937 -175.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 1.061 ' NE2' ' N7 ' ' A' ' 48' ' ' ' G' . 29.3 mm100 -71.33 -57.82 4.1 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.145 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.02 -45.29 61.19 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.34 0.656 . . . . 0.0 110.674 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -55.81 -63.06 1.3 Allowed 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -44.04 64.72 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.928 0.491 . . . . 0.0 109.893 -177.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ASN . . . . . 0.402 ' O ' ' HB2' ' B' ' 44' ' ' ARG . 66.9 m-20 -61.76 -41.68 98.0 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -178.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -75.07 -52.97 9.71 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -53.84 -48.94 69.46 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 0.748 ' HG3' ' OP2' ' A' ' 72' ' ' ' U' . 57.4 ttp180 -58.64 -58.01 10.46 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.932 ' NH2' ' C5 ' ' A' ' 45' ' ' ' U' . 61.9 ttm-85 -55.57 -43.56 76.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.861 -177.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 28.5 t90 -58.31 -48.41 80.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -175.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 1.493 ' HG2' ' C2 ' ' A' ' 68' ' ' ' A' . 88.7 mtm180 -58.59 -56.25 24.62 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 -177.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.468 ' HA ' ' CB ' ' B' ' 50' ' ' ARG . 12.2 mm-40 -56.23 -38.63 71.33 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -178.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 1.4 tmm_? -59.92 -52.25 66.22 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -65.96 -33.84 76.74 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' B' ' 46' ' ' ARG . 1.2 tmt_? -58.38 -57.6 12.21 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.96 -53.36 56.64 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.61 -46.64 80.8 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.51 -3.54 15.09 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 119.604 -0.236 . . . . 0.0 110.936 -175.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.14 57.15 0.15 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.427 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.416 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.062 0 C5'-C4'-C3' 111.212 -2.859 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . 0.469 " O2'" " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C5'-C4'-C3' 111.372 -2.752 . 0.79 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.704 ' OP1' ' NH2' ' B' ' 48' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -3.017 0 O4'-C1'-N19 111.523 3.323 . 0.668 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 0 O4'-C1'-N19 111.462 3.262 . 0.608 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 0.703 " O2'" " H5'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.244 0 O4'-C1'-N19 110.875 2.675 . 0.688 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . 1.125 " O2'" ' OD1' ' B' ' 40' ' ' ASN . . . . . . . . 0 O4'--C4' 1.421 -2.641 1 O4'-C1'-N19 112.382 4.182 . 0.588 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . 0.722 ' H8 ' " O5'" ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 P-O3'-C3' 123.251 2.959 . 0.376 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . 0.998 ' N7 ' ' NE2' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.419 -2.842 0 O4'-C1'-N19 110.464 2.264 . 0.725 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . 0.693 H5'' " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.853 1 O4'-C1'-N19 112.262 4.062 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . 0.783 ' H8 ' " O5'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C5'-C4'-C3' 112.197 -2.202 . 0.339 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 1.269 ' C6 ' ' OP2' ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.243 0 O4'-C1'-N19 112.167 3.967 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . 0.703 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 C4'-C3'-C2' 100.162 -2.538 . 0.485 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.753 0 C5'-C4'-C3' 111.188 -2.875 . 0.753 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.288 0 O4'-C1'-N19 111.916 3.716 . 0.391 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ' G' . . . . . 0.599 " H2'" ' OP2' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.055 0 C4'-C3'-C2' 99.438 -3.262 . 0.654 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ' C' . . . . . 0.635 " H2'" ' C8 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.41 -3.577 1 O4'-C1'-N19 113.34 5.14 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ' A' . . . . . 0.748 ' H8 ' " O5'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 O4'-C1'-N19 110.862 2.662 . 0.113 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ' A' . . . . . 0.73 ' H8 ' " O5'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.899 0 C5'-C4'-C3' 112.099 -2.268 . 0.151 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . 0.453 ' H8 ' H5'' ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C5'-C4'-C3' 110.974 -3.017 . 0.703 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ' C' . . . . . 0.643 " O2'" " H5'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.131 0 O4'-C1'-N19 111.949 3.749 . 0.661 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . 0.766 " O2'" " H5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.209 0 O4'-C1'-N19 110.838 2.638 . 0.636 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . 0.766 " H5'" " O2'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.255 0 C3'-C2'-C1' 103.599 2.332 . 0.531 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . 0.542 ' OP2' " H5'" ' A' ' 69' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 O4'-C1'-N19 111.534 3.334 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . 0.876 ' N4 ' HH12 ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.905 0 O4'-C1'-N19 112.135 3.935 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . 0.966 ' N7 ' ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 C4'-C3'-C2' 100.49 -2.21 . 0.642 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . 0.858 ' C4 ' " H1'" ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 O4'-C1'-N19 111.65 3.45 . 0.016 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 1 O4'-C1'-N19 112.674 4.474 . 0.691 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . 0.858 " H1'" ' C4 ' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.832 0 C5'-C4'-C3' 110.994 -3.004 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . 0.459 ' C6 ' ' C4 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.798 1 P-O3'-C3' 124.695 4.162 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . 0.693 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 C4'-C3'-C2' 100.3 -2.4 . 0.735 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . 1.09 ' C6 ' ' N7 ' ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C4'-C3'-C2' 100.297 -2.403 . 0.574 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . 1.09 ' N7 ' ' C6 ' ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.923 0 C5'-C4'-C3' 110.733 -3.178 . 0.163 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . 0.671 ' H6 ' " O5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.702 1 O4'-C1'-N19 112.279 4.079 . 0.502 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . 0.651 ' H6 ' " O5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.715 1 O4'-C1'-N19 112.341 4.141 . 0.476 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.471 0.585 0 CA-C-O 120.503 0.192 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 87.4 m -156.02 152.88 28.64 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -171.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.651 ' NH1' ' H5 ' ' A' ' 66' ' ' ' U' . 20.1 tpp85 -51.61 -49.98 61.12 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 -178.056 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.998 ' NE2' ' N7 ' ' A' ' 48' ' ' ' G' . 16.2 mm100 -59.29 -56.04 27.2 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' B' ' 41' ' ' ARG . . . -53.74 -48.34 69.75 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -178.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 -60.36 -53.21 60.37 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.966 ' NH2' ' N7 ' ' A' ' 70' ' ' ' G' . 12.2 tpt180 -57.04 -52.78 63.92 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ASN . . . . . 1.125 ' OD1' " O2'" ' A' ' 46' ' ' ' G' . 7.7 m120 -62.83 -50.89 69.18 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.472 ' CB ' ' O ' ' B' ' 37' ' ' ALA . 35.6 ttm180 -59.24 -48.55 81.2 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.591 ' O ' ' HB2' ' B' ' 46' ' ' ARG . 70.0 ttp85 -53.67 -27.98 30.78 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 0.99 ' CG ' HH21 ' B' ' 44' ' ' ARG . 2.3 tpp180 -56.87 -45.58 82.39 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.99 HH21 ' CG ' ' B' ' 43' ' ' ARG . 5.9 mmp_? -59.8 -61.41 2.63 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' TRP . . . . . 0.442 ' CH2' ' C6 ' ' A' ' 68' ' ' ' A' . 34.7 t90 -57.88 -49.26 77.31 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.131 -177.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.673 HH12 ' CG ' ' B' ' 50' ' ' ARG . 0.2 OUTLIER -59.53 -54.79 42.44 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -176.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -66.49 -32.17 73.37 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.704 ' NH2' ' OP1' ' A' ' 43' ' ' ' U' . 14.5 tpp180 -55.25 -65.73 0.54 Allowed 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -176.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -58.77 -28.22 65.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.673 ' CG ' HH12 ' B' ' 46' ' ' ARG . 0.4 OUTLIER -58.89 -53.72 55.23 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.645 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.04 -45.38 90.91 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.67 ' O ' ' HB3' ' B' ' 55' ' ' ARG . . . -56.5 -44.95 81.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 -175.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.07 -50.89 68.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -176.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.06 -40.4 73.49 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.67 ' HB3' ' O ' ' B' ' 52' ' ' ALA . 22.2 tpt180 . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 0 C4'-C3'-C2' 100.12 -2.58 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . 0.477 " O2'" " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -3.009 0 C5'-C4'-C3' 112.022 -2.319 . 0.913 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.477 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.005 0 O4'-C1'-N19 110.887 2.687 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.416 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -3.022 0 O4'-C1'-N19 111.415 3.215 . 0.57 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 1.217 " O2'" " H5'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.408 0 O4'-C1'-N19 111.136 2.936 . 0.663 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . 1.217 " H5'" " O2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.542 0 O4'-C1'-N19 110.944 2.744 . 0.355 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . 1.131 ' N7 ' ' HG3' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 C4'-C3'-C2' 100.447 -2.253 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . 0.924 " H5'" " O2'" ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 C5'-C4'-C3' 111.048 -2.968 . 0.468 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . 0.641 ' H6 ' HO2' ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.281 1 O4'-C1'-N19 112.529 4.329 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . 0.548 ' C8 ' " H2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.714 1 C4'-C3'-C2' 98.638 -4.062 OUTLIER-EPSILON 0.514 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 0.543 " H2'" ' C8 ' ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.054 1 P-O3'-C3' 127.178 6.232 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . 0.543 ' C8 ' " H2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.815 0 C5'-C4'-C3' 112.247 -2.169 . 0.519 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ' G' . . . . . 0.471 " H5'" " O2'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.952 0 C4'-C3'-C2' 100.329 -2.371 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . 1.065 " O2'" " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 O4'-C1'-N19 112.153 3.953 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ' G' . . . . . 1.065 " H5'" " O2'" ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.411 -3.485 0 C4'-C3'-C2' 99.55 -3.15 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.756 1 O4'-C1'-N19 113.077 4.877 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ' A' . . . . . 0.686 " H2'" ' C8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 C3'-C2'-C1' 104.731 3.59 . 0.139 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ' A' . . . . . 1.277 " O2'" " H5'" ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.926 0 C5'-C4'-C3' 111.003 -2.998 . 0.12 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . 1.277 " H5'" " O2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.99 0 P-O3'-C3' 122.808 2.59 . 0.32 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.082 0 O4'-C1'-N19 111.86 3.66 . 0.862 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . 0.905 " O2'" " H5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.897 0 O4'-C1'-N19 111.696 3.496 . 0.74 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . 0.905 " H5'" " O2'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 O4'-C1'-N19 111.938 3.738 OUTLIER-DELTA 0.128 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . 0.447 ' C6 ' ' CH2' ' B' ' 45' ' ' TRP . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 O4'-C1'-N19 112.095 3.895 . 0.091 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . 0.851 ' H5 ' ' NH1' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.647 2 O4'-C1'-N19 113.567 5.367 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . 1.536 ' C6 ' ' C6 ' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.034 1 P-O3'-C3' 127.041 6.118 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . 1.536 ' C6 ' ' C6 ' ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 O4'-C1'-N19 110.916 2.716 . 0.258 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . 0.616 H5'' " H4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.694 1 O4'-C1'-N19 112.758 4.558 . 0.457 6p . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . 0.774 ' C8 ' " O4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.255 0 C4'-C3'-C2' 99.936 -2.764 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . 0.885 ' N4 ' HH22 ' B' ' 43' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -3.015 0 O4'-C1'-N19 111.465 3.265 . 0.567 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . 0.545 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 C4'-C3'-C2' 100.28 -2.42 . 0.664 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . 0.545 " H5'" " O2'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C4'-C3'-C2' 100.288 -2.412 . 0.521 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 C5'-C4'-C3' 110.834 -3.111 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . 0.634 ' H6 ' " O5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 O4'-C1'-N19 112.068 3.868 . 0.561 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.003 0 O4'-C1'-N19 111.863 3.663 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 . . . . . 0 N--CA 1.47 0.567 0 CA-C-O 120.556 0.217 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.53 ' O ' ' N ' ' B' ' 38' ' ' ARG . 53.4 m -153.44 152.62 31.22 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -172.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 23.9 mtp-105 -47.38 -53.72 13.09 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 123.865 0.866 . . . . 0.0 109.335 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 1.131 ' HG3' ' N7 ' ' A' ' 47' ' ' ' G' . 7.4 tp-100 -56.36 -53.97 51.01 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.302 -179.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.554 ' HA ' " H2'" ' A' ' 46' ' ' ' G' . . . -60.05 -43.3 95.48 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 176.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' B' ' 34' ' ' THR . 7.3 tpm_? -55.99 -57.93 10.05 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.851 ' NH1' ' H5 ' ' A' ' 69' ' ' ' C' . 74.0 mtp85 -57.75 -51.25 70.34 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -176.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ASN . . . . . 0.914 ' ND2' ' N7 ' ' A' ' 47' ' ' ' G' . 67.2 m-20 -57.17 -45.91 83.24 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -64.26 -41.11 97.1 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -66.87 -35.66 80.53 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -174.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 0.885 HH22 ' N4 ' ' A' ' 74' ' ' ' C' . 7.2 tmm_? -64.39 -17.95 64.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -176.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.881 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 29.1 mmt180 -72.0 -59.1 2.92 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 172.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' TRP . . . . . 0.462 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 43.2 t90 -58.24 -36.99 74.02 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 174.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.921 ' NH2' ' OP2' ' A' ' 70' ' ' ' G' . 78.2 ttt180 -55.58 -79.68 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.771 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 4.5 tm-20 -53.95 -36.76 63.17 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -178.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.881 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 24.2 tpt180 -48.56 -61.12 2.18 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.955 0.902 . . . . 0.0 110.132 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -74.14 -14.67 61.0 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.771 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 16.6 tpp180 -58.88 -40.65 85.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 174.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.3 -44.01 76.4 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.59 -52.19 65.75 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.48 -52.29 65.99 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.69 -54.88 38.84 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 61.7 ttm-85 . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.323 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . 0.771 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.108 0 C4'-C3'-C2' 100.206 -2.494 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . 0.771 " H5'" " O2'" ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 C4'-C3'-C2' 100.192 -2.508 . 0.462 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.615 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.059 0 O4'-C1'-N19 111.236 3.036 . 0.599 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 O4'-C1'-N19 111.473 3.273 . 0.544 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 0.941 " O2'" " H5'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 O4'-C1'-N19 111.114 2.914 . 0.564 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . 0.941 " H5'" " O2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 O4'-C1'-N19 110.38 2.18 . 0.512 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . 1.038 ' C8 ' ' HB3' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.414 -3.238 0 C4'-C3'-C2' 100.266 -2.434 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . 0.782 " O2'" " H5'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 C3'-C2'-C1' 104.127 2.918 . 0.528 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . 0.877 ' H42' ' NH1' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.172 1 O4'-C1'-N19 112.413 4.213 . 0.542 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C5'-C4'-C3' 112.172 -2.219 . 0.771 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 0.721 " O2'" " H5'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 O4'-C1'-N19 111.837 3.637 . 0.354 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . 0.721 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.06 0 C4'-C3'-C2' 100.315 -2.385 . 0.64 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ' G' . . . . . 0.446 " H5'" " O2'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 C4'-C3'-C2' 99.937 -2.763 . 0.623 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . 0.581 " O2'" " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.339 0 O4'-C1'-N19 110.881 2.681 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ' G' . . . . . 0.903 " H2'" ' OP2' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C5'-C4'-C3' 111.905 -2.397 . 0.466 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ' C' . . . . . 1.102 " O2'" " H5'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.139 1 O4'-C1'-N19 113.702 5.502 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ' A' . . . . . 1.102 " H5'" " O2'" ' A' ' 56' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 O4'-C1'-N19 111.559 3.359 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ' A' . . . . . 0.69 " H5'" " O2'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.783 0 C5'-C4'-C3' 112.417 -2.055 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . 0.652 " H5'" " O2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.703 0 C5'-C4'-C3' 112.091 -2.273 . 0.559 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ' C' . . . . . 0.542 " H5'" " O2'" ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 O4'-C1'-N19 110.912 2.712 . 0.594 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . 0.873 ' OP2' ' HD3' ' B' ' 35' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -3.044 0 O4'-C1'-N19 110.98 2.78 . 0.518 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . 1.398 " H2'" ' C5 ' ' A' ' 69' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.823 -2.877 . 0.559 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 O4'-C1'-N19 112.122 3.922 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . 1.398 ' C5 ' " H2'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.145 1 O4'-C1'-N19 112.401 4.201 . 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . 0.996 ' H8 ' ' OP2' ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 O5'-C5'-C4' 114.863 3.331 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . 0.762 " H1'" ' C8 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.479 0 O4'-C1'-N19 112.136 3.936 . 0.0 OUTLIER '7D dist 1z' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.742 1 O4'-C1'-N19 112.774 4.574 . 0.638 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . 0.762 ' C8 ' " H1'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.951 0 C5'-C4'-C3' 111.526 -2.649 . 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 O4'-C1'-N19 111.256 3.056 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . 0.604 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.779 0 C4'-C3'-C2' 99.823 -2.877 . 0.672 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . 1.123 ' H8 ' ' OP2' ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.292 0 O5'-C5'-C4' 115.224 3.588 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . 0.43 " O2'" " H5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C4'-C3'-C2' 99.952 -2.748 . 0.524 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . 0.573 " O2'" " H5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 O4'-C1'-N19 111.796 3.596 . 0.558 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . 0.573 " H5'" " O2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.891 0 O4'-C1'-N19 112.177 3.977 . 0.435 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 110.672 -0.122 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.528 ' O ' ' N ' ' B' ' 38' ' ' ARG . 16.2 m -152.55 148.07 26.94 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -172.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.873 ' HD3' ' OP2' ' A' ' 66' ' ' ' U' . 90.8 mtm-85 -53.48 -30.74 42.55 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -176.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 1.038 ' HB3' ' C8 ' ' A' ' 47' ' ' ' G' . 6.2 mm100 -62.79 -64.3 0.96 Allowed 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 173.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.552 ' HB2' " H3'" ' A' ' 46' ' ' ' G' . . . -58.58 -10.74 2.4 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 173.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.834 ' CD ' HH21 ' B' ' 41' ' ' ARG . 11.2 tpt180 -75.39 -52.89 9.7 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -175.092 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 1.298 ' O ' ' HB2' ' B' ' 43' ' ' ARG . 99.7 mtt180 -61.44 -38.21 86.35 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ASN . . . . . 0.473 ' OD1' ' O6 ' ' A' ' 47' ' ' ' G' . 56.2 m-20 -63.11 -56.28 18.17 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.446 -173.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.834 HH21 ' CD ' ' B' ' 38' ' ' ARG . 36.5 ptt180 -65.09 -54.27 32.65 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 1.094 ' NH2' ' OP1' ' A' ' 67' ' ' ' G' . 66.9 mtm180 -67.32 -27.81 67.46 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 1.298 ' HB2' ' O ' ' B' ' 39' ' ' ARG . 2.9 tmm_? -56.5 -53.0 62.62 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.818 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 94.3 mtt-85 -55.54 -60.98 2.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' TRP . . . . . 0.459 ' O ' ' CB ' ' B' ' 49' ' ' GLN . 34.1 t90 -57.64 -33.25 68.08 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.813 ' HB3' ' O ' ' B' ' 43' ' ' ARG . 78.9 ttt180 -55.73 -73.97 0.05 Allowed 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 123.437 0.695 . . . . 0.0 109.789 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.978 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 3.9 tm-20 -58.59 -45.43 89.11 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 123.078 0.551 . . . . 0.0 109.556 176.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.818 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 0.5 OUTLIER -55.47 -58.33 8.21 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.046 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.459 ' CB ' ' O ' ' B' ' 45' ' ' TRP . 67.8 tp60 -57.31 -29.25 63.76 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 176.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.978 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 73.4 ttt-85 -58.77 -55.41 35.49 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.724 177.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.68 -48.91 74.29 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.413 ' HB2' ' NH1' ' B' ' 48' ' ' ARG . . . -55.95 -53.08 61.25 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -178.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.15 -55.96 26.68 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.94 -57.68 11.74 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 -179.893 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 C4'-C3'-C2' 100.049 -2.651 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . 0.545 " O2'" " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.958 0 C5'-C4'-C3' 111.882 -2.412 . 0.896 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.545 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.957 0 O4'-C1'-N19 111.628 3.428 . 0.652 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.524 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.072 0 O4'-C1'-N19 111.297 3.097 . 0.631 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 0.664 ' O4 ' ' NH2' ' B' ' 44' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 O4'-C1'-N19 111.597 3.397 . 0.666 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.77 0 C5'-C4'-C3' 110.575 -3.284 . 0.721 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . 0.69 ' O6 ' ' N1 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.042 0 C4'-C3'-C2' 99.737 -2.963 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . 0.696 ' H8 ' H5'' ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.062 0 O4'-C1'-N19 111.481 3.281 . 0.571 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . 0.69 " O4'" " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.319 1 O4'-C1'-N19 112.505 4.305 . 0.031 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . 0.514 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.098 0 C4'-C3'-C2' 99.988 -2.712 . 0.572 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 0.513 " O2'" " H5'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 O4'-C1'-N19 112.163 3.963 . 0.59 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . 0.513 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 C4'-C3'-C2' 100.312 -2.388 . 0.662 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 C4'-C3'-C2' 99.828 -2.872 . 0.614 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 O4'-C1'-N19 111.885 3.685 . 0.601 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ' G' . . . . . 1.167 ' H8 ' ' OP2' ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C4'-C3'-C2' 100.014 -2.686 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ' C' . . . . . 1.297 " O2'" ' N9 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.287 2 O4'-C1'-N19 113.689 5.489 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1g' 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ' A' . . . . . 1.297 ' N9 ' " O2'" ' A' ' 56' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C4'-C3'-C2' 100.237 -2.463 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ' A' . . . . . 0.761 ' H8 ' " O5'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.703 0 C5'-C4'-C3' 112.336 -2.109 . 0.553 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . 0.43 " O4'" " H2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.439 0 C5'-C4'-C3' 112.164 -2.224 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 O4'-C1'-N19 111.588 3.388 . 0.746 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . 0.625 " O2'" " H5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.864 0 O4'-C1'-N19 111.695 3.495 . 0.808 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . 0.625 " H5'" " O2'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.876 0 C5'-C4'-C3' 112.103 -2.265 . 0.54 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . 0.637 ' OP1' ' NH1' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C5'-C4'-C3' 110.185 -3.544 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . 1.137 " C3'" HH22 ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -2.958 1 O4'-C1'-N19 113.332 5.132 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . 1.02 " H2'" ' N7 ' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.041 0 C4'-C3'-C2' 99.509 -3.191 OUTLIER-EPSILON 0.456 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . 1.02 ' N7 ' " H2'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 P--O5' 1.618 2.5 1 P-O3'-C3' 127.978 6.899 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 1 O4'-C1'-N19 112.872 4.672 . 0.636 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . 0.69 ' N1 ' ' O6 ' ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.267 0 O5'-C5'-C4' 114.54 3.1 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . 0.609 " H1'" ' H22' ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.108 0 O4'-C1'-N19 112.053 3.853 . 0.542 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . 0.599 " H5'" " O2'" ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 C4'-C3'-C2' 100.251 -2.449 . 0.633 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . 0.44 " O2'" " H5'" ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.0 0 C5'-C4'-C3' 111.287 -2.809 . 0.69 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . 0.517 " O2'" " H5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.192 0 C4'-C3'-C2' 100.26 -2.44 . 0.687 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . 0.517 " H5'" " O2'" ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.983 0 O4'-C1'-N19 112.076 3.876 . 0.626 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . 0.46 " H5'" " O2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 O4'-C1'-N19 112.072 3.872 . 0.499 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 48.8 p30 . . . . . 0 N--CA 1.471 0.598 0 N-CA-C 110.605 -0.146 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 65.8 p -143.72 -177.74 5.56 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.116 0.966 . . . . 0.0 108.636 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 5.3 tpp85 -51.67 -41.32 61.3 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.359 0.664 . . . . 0.0 109.86 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -64.0 -55.99 18.33 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -173.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.897 ' O ' ' HG3' ' B' ' 41' ' ' ARG . . . -50.69 -47.24 58.94 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.169 0.587 . . . . 0.0 110.444 -176.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 18.3 mmt85 -61.34 -54.15 47.55 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 1.137 HH22 " C3'" ' A' ' 69' ' ' ' C' . 23.9 tpt180 -55.53 -52.15 64.66 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -176.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' B' ' 44' ' ' ARG . 51.2 m-20 -52.88 -44.82 67.13 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.833 0.453 . . . . 0.0 110.109 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.897 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 94.5 mtt-85 -56.87 -52.98 62.99 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -177.286 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -54.58 -56.01 23.4 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -178.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -54.12 -43.01 70.11 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 173.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.795 ' HB3' ' O ' ' B' ' 41' ' ' ARG . 18.1 tpp180 -53.17 -49.83 65.84 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 123.526 0.73 . . . . 0.0 110.119 -177.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -59.61 -55.86 29.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 -176.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 1.061 ' O ' ' HB2' ' B' ' 50' ' ' ARG . 76.9 mtm180 -56.85 -35.61 69.06 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -174.172 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.552 ' C ' ' CD ' ' B' ' 47' ' ' GLU . 2.9 tm-20 -68.32 -56.42 8.64 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.52 ' HG3' ' OP2' ' A' ' 44' ' ' ' C' . 0.7 OUTLIER -61.34 -58.19 9.24 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -177.733 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -63.06 -47.07 84.54 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -175.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 1.061 ' HB2' ' O ' ' B' ' 46' ' ' ARG . 1.1 tmm_? -58.73 -56.84 16.94 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -176.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.72 -49.5 74.98 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -178.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 1.358 ' O ' ' CG ' ' B' ' 55' ' ' ARG . . . -56.27 -56.86 15.83 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.119 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.15 -55.34 34.24 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -178.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.75 -25.59 41.4 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 1.358 ' CG ' ' O ' ' B' ' 52' ' ' ALA . 6.2 ppt_? . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . 0.445 ' C6 ' ' C5 ' ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 C5'-C4'-C3' 111.207 -2.862 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . 0.451 " O2'" " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 C5'-C4'-C3' 111.067 -2.956 . 0.667 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.604 ' OP1' ' NH2' ' B' ' 48' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.858 0 O4'-C1'-N19 111.503 3.303 . 0.627 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.5 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 O4'-C1'-N19 110.801 2.601 . 0.668 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 0.9 " O2'" " H5'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 O4'-C1'-N19 111.422 3.222 . 0.662 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . 0.9 " H5'" " O2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 O4'-C1'-N19 110.84 2.64 . 0.492 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . 1.049 ' O6 ' ' ND2' ' B' ' 40' ' ' ASN . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 C4'-C3'-C2' 100.406 -2.294 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . 0.924 ' C8 ' ' HG2' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.415 -3.176 1 C1'-O4'-C4' 105.879 -4.134 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . 0.706 ' H6 ' " O3'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.185 1 O4'-C1'-N19 113.028 4.828 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . 0.488 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.138 0 C4'-C3'-C2' 100.236 -2.464 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 0.443 ' C5 ' ' C5 ' ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.289 1 O4'-C1'-N19 112.378 4.178 . 0.687 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . 0.428 " O2'" " H5'" ' A' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.078 0 C4'-C3'-C2' 100.262 -2.438 . 0.601 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ' G' . . . . . 0.428 " H5'" " O2'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 C4'-C3'-C2' 100.058 -2.642 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . 0.627 " O2'" " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 O4'-C1'-N19 111.687 3.487 . 0.612 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ' G' . . . . . 0.627 " H5'" " O2'" ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.08 0 C5'-C4'-C3' 112.274 -2.151 . 0.655 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ' C' . . . . . 0.556 " H5'" " C2'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.615 1 O4'-C1'-N19 113.033 4.833 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ' A' . . . . . 0.777 ' C2 ' " H1'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.23 0 C3'-C2'-C1' 103.859 2.621 . 0.355 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ' A' . . . . . 0.777 " H1'" ' C2 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 C4'-C3'-C2' 99.189 -3.511 OUTLIER-EPSILON 0.632 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.69 1 P-O3'-C3' 126.501 5.667 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ' C' . . . . . 0.721 " H2'" ' C6 ' ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 O4'-C1'-N19 110.961 2.761 . 0.514 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . 1.146 " O2'" " H5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.892 0 O4'-C1'-N19 111.403 3.203 . 0.459 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . 1.146 " H5'" " O2'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.054 0 C5'-C4'-C3' 110.551 -3.299 OUTLIER-DELTA 0.131 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . 1.499 ' C2 ' ' NH1' ' B' ' 46' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 O4'-C1'-N19 111.236 3.036 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . 0.951 ' OP2' ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -3.083 1 O4'-C1'-N19 112.294 4.094 . 0.047 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . 0.879 " H5'" " O2'" ' A' ' 69' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.072 0 C5'-C4'-C3' 112.475 -2.017 . 0.621 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . 1.217 " H1'" ' NH2' ' B' ' 43' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.738 0 O4'-C1'-N19 110.758 2.558 . 0.034 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 1 O4'-C1'-N19 112.97 4.77 . 0.639 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . 0.452 ' H62' ' NH1' ' B' ' 43' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.891 0 C5'-C4'-C3' 111.221 -2.853 . 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.558 0 O4'-C1'-N19 111.423 3.223 . 0.552 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . 0.538 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 C4'-C3'-C2' 100.021 -2.679 . 0.472 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . 0.538 " H5'" " O2'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.992 0 C4'-C3'-C2' 100.427 -2.273 . 0.451 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C5'-C4'-C3' 111.859 -2.427 . 0.853 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.006 0 O4'-C1'-N19 112.023 3.823 . 0.379 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.955 0 O4'-C1'-N19 112.03 3.83 . 0.476 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 . . . . . 0 N--CA 1.471 0.595 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.97 ' O ' ' HG2' ' B' ' 38' ' ' ARG . 74.2 p -141.47 173.57 11.37 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.198 0.999 . . . . 0.0 109.004 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.578 ' O ' ' HG2' ' B' ' 39' ' ' ARG . 19.0 tpp85 -59.97 -49.42 77.74 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.924 ' HG2' ' C8 ' ' A' ' 48' ' ' ' G' . 4.5 mp0 -56.45 -52.96 62.71 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -176.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 1.27 ' O ' ' HB2' ' B' ' 41' ' ' ARG . . . -52.13 -43.81 64.19 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.97 ' HG2' ' O ' ' B' ' 34' ' ' THR . 31.0 mmt180 -59.03 -60.8 3.29 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 177.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.951 ' NH2' ' OP2' ' A' ' 69' ' ' ' C' . 24.3 mmm180 -53.91 -61.65 2.17 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -177.115 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ASN . . . . . 1.049 ' ND2' ' O6 ' ' A' ' 47' ' ' ' G' . 40.3 m-20 -55.41 -30.15 59.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 176.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 1.27 ' HB2' ' O ' ' B' ' 37' ' ' ALA . 56.5 ttt85 -70.86 -45.13 64.98 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.778 -175.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.726 ' O ' ' HG2' ' B' ' 46' ' ' ARG . 1.1 mpt_? -58.03 -57.75 11.46 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -177.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 1.217 ' NH2' " H1'" ' A' ' 71' ' ' ' G' . 11.8 ptp180 -55.96 -31.54 63.07 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 -171.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 85.2 mtt-85 -57.82 -51.39 69.78 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 174.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' TRP . . . . . 0.688 ' O ' ' HB3' ' B' ' 48' ' ' ARG . 37.8 t90 -66.76 -34.19 77.28 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 1.499 ' NH1' ' C2 ' ' A' ' 68' ' ' ' A' . 20.9 mmm180 -55.79 -68.03 0.24 Allowed 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.588 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 87.9 tt0 -54.79 -30.02 55.87 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.688 ' HB3' ' O ' ' B' ' 45' ' ' TRP . 14.6 tpp180 -56.12 -60.11 3.95 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -65.09 -29.91 70.82 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.588 ' HB3' ' HA ' ' B' ' 47' ' ' GLU . 15.7 tpp180 -58.83 -54.93 41.59 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' B' ' 55' ' ' ARG . . . -56.08 -49.55 73.49 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.93 -50.29 71.15 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -56.07 24.46 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.65 -55.39 33.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.417 ' CB ' ' O ' ' B' ' 51' ' ' ALA . 73.7 ttt-85 . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 0 C4'-C3'-C2' 100.109 -2.591 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . 0.471 " O2'" " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.838 0 C5'-C4'-C3' 111.774 -2.484 . 0.831 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.471 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.105 0 O4'-C1'-N19 111.085 2.885 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.683 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 O4'-C1'-N19 111.961 3.761 . 0.664 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 0.746 ' O4 ' ' NH2' ' B' ' 44' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.905 0 C3'-C2'-C1' 103.917 2.686 . 0.566 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . 0.684 " O2'" ' N7 ' ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.206 1 O4'-C1'-N19 113.834 5.634 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . 1.126 ' N7 ' ' HG2' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 O3'-P-O5' 98.09 -3.111 . 0.192 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . 0.773 " O2'" ' H6 ' ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.838 0 O4'-C1'-N19 110.754 2.554 . 0.621 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . 0.773 ' H6 ' " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.299 1 O4'-C1'-N19 112.409 4.209 . 0.011 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . 0.674 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 C4'-C3'-C2' 100.237 -2.463 . 0.48 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 0.603 " O2'" " H5'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.213 1 O4'-C1'-N19 112.384 4.184 . 0.645 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . 0.603 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 C4'-C3'-C2' 100.416 -2.284 . 0.583 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ' G' . . . . . 0.443 ' C6 ' ' C6 ' ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.95 0 C4'-C3'-C2' 100.062 -2.638 . 0.56 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . 0.645 " O2'" " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 O4'-C1'-N19 112.124 3.924 . 0.621 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ' G' . . . . . 1.278 " H1'" ' N6 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 O4'-C1'-N19 111.039 2.839 . 0.619 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ' C' . . . . . 1.339 " H4'" ' N7 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.119 1 O4'-C1'-N19 112.684 4.484 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ' A' . . . . . 1.339 ' N7 ' " H4'" ' A' ' 56' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 C4'-C3'-C2' 99.854 -2.846 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ' A' . . . . . 1.278 ' N6 ' " H1'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.779 0 C5'-C4'-C3' 112.255 -2.164 . 0.331 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . 1.068 " H5'" " O2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.787 0 C5'-C4'-C3' 111.903 -2.398 . 0.384 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ' C' . . . . . 0.628 " H2'" ' C6 ' ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 O4'-C1'-N19 111.945 3.745 . 0.772 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . 0.683 ' H6 ' " O5'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.806 0 C5'-C4'-C3' 111.721 -2.52 . 0.461 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.87 0 C3'-C2'-C1' 103.801 2.556 . 0.643 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . 0.598 " O5'" ' NH2' ' B' ' 42' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 O4'-C1'-N19 111.426 3.226 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . 0.793 " O2'" " H5'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.808 0 O4'-C1'-N19 112.184 3.984 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . 1.196 ' H8 ' ' OP2' ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.37 0 O5'-C5'-C4' 115.039 3.457 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . 1.049 " H3'" ' OP1' ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 O4'-C1'-N19 111.878 3.678 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . 0.846 ' O4 ' ' CZ ' ' B' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.719 1 O4'-C1'-N19 112.734 4.534 . 0.542 6p . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . 0.539 " H2'" ' C6 ' ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 C5'-C4'-C3' 111.726 -2.516 . 0.016 6j . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . 0.661 ' H6 ' " O5'" ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.659 1 O4'-C1'-N19 112.278 4.078 . 0.518 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . 0.758 ' C2 ' ' C5 ' ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 C4'-C3'-C2' 99.867 -2.833 . 0.423 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . 0.758 ' C5 ' ' C2 ' ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 C4'-C3'-C2' 100.267 -2.433 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . 0.739 " H2'" ' C6 ' ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 C4'-C3'-C2' 99.937 -2.763 . 0.512 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . 1.334 " C3'" ' C6 ' ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 O4'-C1'-N19 112.07 3.87 . 0.549 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . 1.334 ' C6 ' " C3'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.75 1 O4'-C1'-N19 112.299 4.099 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.2 p -83.9 178.76 7.76 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.706 ' O ' ' HG2' ' B' ' 39' ' ' ARG . 22.2 mtp-105 -55.55 -21.93 19.3 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 177.183 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 1.126 ' HG2' ' N7 ' ' A' ' 47' ' ' ' G' . 28.5 tp60 -60.76 -43.06 98.5 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 123.388 0.675 . . . . 0.0 110.152 178.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.649 ' O ' ' HG2' ' B' ' 41' ' ' ARG . . . -54.74 -49.85 69.82 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -178.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -57.18 -31.81 65.81 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 1.158 ' O ' ' HB2' ' B' ' 43' ' ' ARG . 24.4 mmm180 -79.31 -40.68 29.79 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ASN . . . . . 1.002 ' OD1' ' O6 ' ' A' ' 47' ' ' ' G' . 67.7 m-20 -71.86 -71.78 0.26 Allowed 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -174.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.649 ' HG2' ' O ' ' B' ' 37' ' ' ALA . 40.0 ptt180 -64.07 -47.85 78.51 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.598 ' NH2' " O5'" ' A' ' 68' ' ' ' A' . 56.6 ttt-85 -46.83 -43.6 18.64 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.092 0.957 . . . . 0.0 110.338 174.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 1.158 ' HB2' ' O ' ' B' ' 39' ' ' ARG . 6.1 tmm_? -54.96 -52.14 63.97 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.746 ' NH2' ' O4 ' ' A' ' 45' ' ' ' U' . 90.6 mtt-85 -61.18 -51.55 68.55 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 -177.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' TRP . . . . . 0.423 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 38.5 t90 -57.28 -14.03 3.94 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.542 HH22 HH11 ' B' ' 50' ' ' ARG . 0.2 OUTLIER -72.34 -57.76 3.94 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.728 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.831 ' OE1' ' HG3' ' B' ' 48' ' ' ARG . 1.3 pp20? -75.36 -27.28 59.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -177.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.831 ' HG3' ' OE1' ' B' ' 47' ' ' GLU . 95.9 mtt180 -62.4 -37.7 86.8 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 174.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.15 -49.3 78.4 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -178.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.846 ' CZ ' ' O4 ' ' A' ' 72' ' ' ' U' . 17.1 ptm180 -64.5 -40.69 96.12 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.062 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.15 -45.25 75.66 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -175.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.72 -52.41 65.6 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.18 -56.2 23.51 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.25 -56.05 24.37 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.115 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 0 C4'-C3'-C2' 100.105 -2.595 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . 0.689 " O2'" " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.878 0 C5'-C4'-C3' 111.91 -2.393 . 0.847 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.689 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.918 0 O4'-C1'-N19 111.766 3.566 . 0.529 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.074 0 O4'-C1'-N19 111.183 2.983 . 0.694 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.382 0 O4'-C1'-N19 111.879 3.679 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . 0.843 " H3'" ' HB2' ' B' ' 37' ' ' ALA . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C5'-C4'-C3' 109.937 -3.708 . 0.721 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . 0.823 ' N7 ' ' HB3' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.418 -2.924 0 C4'-C3'-C2' 100.386 -2.314 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . 0.761 HO2' ' H6 ' ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 O4'-C1'-N19 111.554 3.354 . 0.53 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . 0.761 ' H6 ' HO2' ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.369 1 O4'-C1'-N19 112.439 4.239 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . 0.544 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.226 0 C4'-C3'-C2' 100.081 -2.619 . 0.552 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 0.588 " H2'" ' C8 ' ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 O4'-C1'-N19 110.818 2.618 . 0.595 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . 0.607 " O5'" ' H8 ' ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C5'-C4'-C3' 112.332 -2.112 . 0.52 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ' G' . . . . . 0.404 ' C5 ' ' C5 ' ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.958 0 C4'-C3'-C2' 100.087 -2.613 . 0.694 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . 0.773 " O2'" " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.214 0 O4'-C1'-N19 111.875 3.675 . 0.639 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ' G' . . . . . 0.773 " H5'" " O2'" ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 100.724 -1.976 . 0.591 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.548 1 O4'-C1'-N19 113.172 4.972 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ' A' . . . . . 0.688 " H2'" ' C8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.271 0 P-O3'-C3' 123.815 3.429 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ' A' . . . . . 0.688 ' C8 ' " H2'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C5'-C4'-C3' 112.196 -2.203 . 0.458 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . 0.666 " O4'" " H2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 C5'-C4'-C3' 111.844 -2.438 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ' C' . . . . . 0.523 " H5'" " O2'" ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.307 1 O4'-C1'-N19 112.624 4.424 . 0.663 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . 0.7 " H2'" ' C8 ' ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.849 0 O4'-C1'-N19 111.923 3.723 . 0.84 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . 1.258 ' H8 ' " O5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 C5'-C4'-C3' 110.915 -3.057 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . 0.448 ' C2 ' ' CZ3' ' B' ' 45' ' ' TRP . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 O4'-C1'-N19 111.482 3.282 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . 1.019 ' P ' HH12 ' B' ' 46' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.705 2 O4'-C1'-N19 112.879 4.679 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . 0.727 " H3'" " H2'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.037 1 P-O3'-C3' 126.984 6.07 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . 0.727 " H2'" " H3'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.393 0 O4'-C1'-N19 111.291 3.091 OUTLIER-EPSILON 0.054 5p . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 2 P-O3'-C3' 127.162 6.219 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . 0.893 ' N7 ' ' NH2' ' B' ' 43' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.897 0 C5'-C4'-C3' 110.788 -3.141 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . 0.479 ' C5 ' ' C5 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.739 1 P-O3'-C3' 125.867 5.139 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C5'-C4'-C3' 112.014 -2.324 . 0.646 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.803 1 C4'-C3'-C2' 98.63 -4.07 OUTLIER-EPSILON 0.659 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . 0.468 " O2'" " H5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.032 1 P-O3'-C3' 127.409 6.424 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . 0.474 " O2'" " H5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.991 0 O4'-C1'-N19 111.978 3.778 . 0.649 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . 0.474 " H5'" " O2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 O4'-C1'-N19 112.174 3.974 . 0.452 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.573 ' O ' ' HD3' ' B' ' 38' ' ' ARG . 81.5 p -142.07 177.17 8.4 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.151 0.98 . . . . 0.0 108.71 179.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.757 ' NH2' ' N7 ' ' A' ' 67' ' ' ' G' . 24.4 mtp-105 -59.2 -33.28 70.77 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -176.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.823 ' HB3' ' N7 ' ' A' ' 47' ' ' ' G' . 25.3 mp0 -57.05 -51.79 67.84 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.843 ' HB2' " H3'" ' A' ' 46' ' ' ' G' . . . -54.48 -39.43 67.5 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.463 0.305 . . . . 0.0 110.212 -176.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.573 ' HD3' ' O ' ' B' ' 34' ' ' THR . 1.4 mpt_? -57.8 -63.75 1.14 Allowed 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -176.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' B' ' 43' ' ' ARG . 88.7 mtm-85 -57.93 -43.96 86.6 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -176.144 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ASN . . . . . 0.432 ' O ' ' HB3' ' B' ' 43' ' ' ARG . 54.8 m-20 -55.57 -60.93 2.73 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -57.17 -52.46 65.23 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 176.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.451 ' HB3' ' HA ' ' B' ' 39' ' ' ARG . 58.5 ttt85 -52.49 -33.2 43.72 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.12 -179.098 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 0.893 ' NH2' ' N7 ' ' A' ' 73' ' ' ' A' . 37.7 ttm180 -56.93 -45.16 82.93 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.729 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 1.0 OUTLIER -62.55 -47.8 82.29 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -177.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 45' ' ' TRP . . . . . 0.448 ' CZ3' ' C2 ' ' A' ' 68' ' ' ' A' . 30.1 t90 -57.79 -59.41 5.26 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -177.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 1.019 HH12 ' P ' ' A' ' 69' ' ' ' C' . 55.2 ttp180 -59.73 -50.61 73.16 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -177.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.524 ' C ' ' CD ' ' B' ' 47' ' ' GLU . 5.3 tm-20 -55.93 -48.9 74.89 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.729 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 1.1 tmm_? -55.22 -55.32 32.6 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -56.44 -36.95 69.61 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.492 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 61.9 ttm-85 -58.8 -52.55 65.22 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.58 -50.03 71.18 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.97 -55.71 29.43 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.32 -54.55 45.5 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.79 -53.84 51.73 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? . . . . . 0 N--CA 1.45 -0.444 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 -178.861 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . 0.755 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 C4'-C3'-C2' 100.272 -2.428 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . 0.755 " H5'" " O2'" ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 C4'-C3'-C2' 100.435 -2.265 . 0.465 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.565 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 O4'-C1'-N19 110.981 2.781 . 0.626 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 111.118 2.918 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 0.533 ' O4 ' ' NH2' ' B' ' 44' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.933 1 O4'-C1'-N19 112.38 4.18 . 0.588 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . 1.38 ' C8 ' ' OP2' ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.929 0 O4'-C1'-N19 110.866 2.666 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . 1.176 ' N7 ' ' HB3' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 C5'-C4'-C3' 111.229 -2.847 . 0.039 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . 1.139 ' C8 ' ' NE2' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.418 -2.912 0 O4'-C1'-N19 111.607 3.407 . 0.181 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . 0.714 ' H6 ' " O3'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.284 1 O4'-C1'-N19 112.518 4.318 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . 0.451 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.296 0 C4'-C3'-C2' 100.098 -2.602 . 0.571 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 0.538 " H2'" ' C8 ' ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 O4'-C1'-N19 112.196 3.996 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . 0.538 ' C8 ' " H2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.799 0 N19-C1'-C2' 109.904 -2.185 . 0.514 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 C4'-C3'-C2' 100.033 -2.667 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.275 0 O4'-C1'-N19 110.854 2.654 . 0.495 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 C4'-C3'-C2' 99.915 -2.785 . 0.603 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.446 2 O4'-C1'-N19 113.577 5.377 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ' A' . . . . . 0.712 " H2'" ' C8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.065 0 P-O3'-C3' 122.364 2.22 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ' A' . . . . . 1.025 " O2'" " H5'" ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C5'-C4'-C3' 112.301 -2.133 . 0.408 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . 1.025 " H5'" " O2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.836 0 C5'-C4'-C3' 112.017 -2.322 . 0.467 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 0 O4'-C1'-N19 111.589 3.389 . 0.744 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . 0.955 " O2'" " H5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 O4'-C1'-N19 111.917 3.717 . 0.796 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . 1.289 ' O6 ' ' NH2' ' B' ' 35' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -3.053 0 O4'-C1'-N19 111.561 3.361 OUTLIER-DELTA 0.145 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . 0.419 ' C2 ' ' CZ3' ' B' ' 45' ' ' TRP . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C5'-C4'-C3' 111.385 -2.743 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . 0.81 ' C5 ' ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 O4'-C1'-N19 112.194 3.994 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . 1.052 " H3'" " H2'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.959 0 C5'-C4'-C3' 111.353 -2.764 . 0.835 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . 1.486 " C5'" " H3'" ' A' ' 72' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -2.969 0 C5'-C4'-C3' 111.252 -2.832 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . 1.486 " H3'" " C5'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.383 0 O4'-C1'-N19 112.064 3.864 OUTLIER-EPSILON 0.195 6p . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . 0.625 " O2'" " H5'" ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.832 1 P-O3'-C3' 126.286 5.488 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . 0.638 ' H6 ' " O5'" ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.682 1 O4'-C1'-N19 112.377 4.177 . 0.604 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . 0.563 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 C4'-C3'-C2' 99.827 -2.873 . 0.424 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . 0.563 " H5'" " O2'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 C4'-C3'-C2' 100.325 -2.375 . 0.513 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . 0.449 " O2'" " H5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 C4'-C3'-C2' 100.051 -2.649 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . 0.533 " H2'" ' C6 ' ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.091 0 O4'-C1'-N19 112.031 3.831 . 0.619 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . 0.533 ' C6 ' " H2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.78 1 O4'-C1'-N19 112.208 4.008 . 0.466 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -156.11 -177.0 6.26 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 1.289 ' NH2' ' O6 ' ' A' ' 67' ' ' ' G' . 23.5 mtp-105 -56.46 -47.29 79.49 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -175.105 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 1.176 ' HB3' ' N7 ' ' A' ' 47' ' ' ' G' . 30.0 mm100 -56.89 -50.26 73.05 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -176.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.569 ' O ' ' CB ' ' B' ' 41' ' ' ARG . . . -55.55 -55.79 27.82 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' B' ' 42' ' ' ARG . 94.1 mtt-85 -55.59 -35.98 66.4 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 1.259 ' HG2' ' O ' ' B' ' 35' ' ' ARG . 25.0 mmm180 -63.1 -70.79 0.19 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ASN . . . . . 0.65 ' O ' ' HG2' ' B' ' 44' ' ' ARG . 20.2 p30 -62.35 -24.77 67.53 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -177.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.569 ' CB ' ' O ' ' B' ' 37' ' ' ALA . 39.2 ttm180 -75.74 -55.15 5.92 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 177.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' B' ' 38' ' ' ARG . 61.7 ttm-85 -56.02 -37.87 69.76 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 0.519 ' HG3' ' OP2' ' A' ' 72' ' ' ' U' . 69.9 ttp85 -56.95 -41.04 77.54 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' B' ' 40' ' ' ASN . 29.1 mmt180 -60.06 -54.6 44.05 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' TRP . . . . . 0.419 ' CZ3' ' C2 ' ' A' ' 68' ' ' ' A' . 29.6 t90 -57.7 -51.25 70.31 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.075 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' B' ' 50' ' ' ARG . 56.1 ttp180 -62.84 -40.2 96.72 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -174.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 1.114 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 36.3 tt0 -70.99 -44.37 66.1 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -61.23 -50.03 74.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -56.88 -30.84 64.25 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 173.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 1.114 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 25.8 tpt180 -58.51 -55.07 39.85 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 123.958 0.903 . . . . 0.0 109.627 176.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.63 -53.04 62.62 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.64 -54.96 40.97 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.47 -50.94 70.27 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.71 -51.49 67.14 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 81.0 ttt180 . . . . . 0 N--CA 1.449 -0.494 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.572 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . 1.212 " C2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 C4'-C3'-C2' 99.986 -2.714 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . 1.212 " H5'" " C2'" ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 C5'-C4'-C3' 111.339 -2.774 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.483 " H2'" ' C6 ' ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 O4'-C1'-N19 112.081 3.881 . 0.825 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 1.126 ' H6 ' ' OP2' ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.34 1 O4'-C1'-N19 112.475 4.275 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 0.817 " O2'" " H5'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 110.883 2.683 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . 0.863 " O2'" ' OD1' ' B' ' 40' ' ' ASN . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 O4'-C1'-N19 111.924 3.724 . 0.595 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . 0.922 ' O6 ' ' OD1' ' B' ' 40' ' ' ASN . . . . . . . . 0 O4'--C4' 1.423 -2.513 0 O3'-P-O5' 98.324 -2.987 . 0.426 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . 0.75 ' N7 ' ' NE2' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.419 -2.828 0 O4'-C1'-N19 110.975 2.775 . 0.678 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . 0.744 ' H6 ' " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.244 1 O4'-C1'-N19 112.388 4.188 . 0.032 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . 0.488 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 C4'-C3'-C2' 100.041 -2.659 . 0.59 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 0.593 " O2'" " H5'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.233 1 O4'-C1'-N19 112.469 4.269 . 0.666 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . 0.593 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.17 0 C4'-C3'-C2' 100.238 -2.462 . 0.652 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ' G' . . . . . 0.44 " H5'" " O2'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.997 0 C4'-C3'-C2' 100.251 -2.449 . 0.559 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 0 O4'-C1'-N19 111.134 2.934 . 0.625 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.87 0 C4'-C3'-C2' 100.098 -2.602 . 0.63 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ' C' . . . . . 0.874 " H2'" ' C8 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.411 -3.516 1 O4'-C1'-N19 113.224 5.024 . 0.318 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ' A' . . . . . 0.945 " H2'" ' C8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 O4'-C1'-N19 110.152 1.952 . 0.448 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ' A' . . . . . 0.989 ' H8 ' " O5'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C4'-C3'-C2' 100.154 -2.546 . 0.457 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . 1.115 ' OP2' ' H8 ' ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 C4'-C3'-C2' 99.46 -3.24 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ' C' . . . . . 0.712 " O4'" " O2'" ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.076 1 O4'-C1'-N19 112.526 4.326 . 0.305 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . 1.317 ' H6 ' ' OP2' ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.413 -3.342 0 O5'-C5'-C4' 115.652 3.894 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . 0.585 " H5'" " O2'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.413 -3.352 1 C4'-C3'-C2' 98.043 -4.657 OUTLIER-EPSILON 0.452 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . 1.282 ' C2 ' ' NH1' ' B' ' 42' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.649 1 P-O3'-C3' 127.231 6.276 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . 0.7 ' N4 ' HH12 ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.788 0 O4'-C1'-N19 112.088 3.888 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . 1.248 ' N7 ' ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.414 -3.268 0 O5'-C5'-C4' 115.492 3.78 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . 0.551 " H1'" ' C8 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 O4'-C1'-N19 112.146 3.946 . 0.01 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 1 O4'-C1'-N19 112.529 4.329 . 0.595 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . 0.551 ' C8 ' " H1'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.993 0 C5'-C4'-C3' 111.529 -2.647 . 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . 0.582 ' H6 ' " O5'" ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 O4'-C1'-N19 112.161 3.961 . 0.626 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . 0.59 ' H61' ' H42' ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 C4'-C3'-C2' 100.411 -2.289 . 0.71 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . 0.429 " H5'" " O2'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.08 0 C4'-C3'-C2' 100.271 -2.429 . 0.594 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . 0.413 " O2'" " H5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 C4'-C3'-C2' 100.172 -2.528 . 0.58 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . 0.434 " O2'" " H5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.057 1 O4'-C1'-N19 112.209 4.009 . 0.654 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . 0.434 " H5'" " O2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.939 0 O4'-C1'-N19 112.043 3.843 . 0.545 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 . . . . . 0 N--CA 1.47 0.575 0 N-CA-C 110.726 -0.102 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 6.1 m -149.8 150.43 31.99 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -173.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.938 ' O ' ' HB2' ' B' ' 39' ' ' ARG . 23.6 mmt85 -52.2 -32.1 34.85 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 178.071 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.833 ' HB3' ' N7 ' ' A' ' 47' ' ' ' G' . 29.3 mm100 -71.19 -61.46 1.76 Allowed 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.413 0.685 . . . . 0.0 109.695 178.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.563 ' HA ' " H2'" ' A' ' 46' ' ' ' G' . . . -51.67 -57.43 9.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.373 0.669 . . . . 0.0 110.139 -177.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 57.0 ttp85 -56.69 -52.95 62.96 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 1.248 ' NH2' ' N7 ' ' A' ' 70' ' ' ' G' . 13.3 tpt180 -52.73 -56.45 15.47 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.481 0.712 . . . . 0.0 109.76 -175.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ASN . . . . . 0.922 ' OD1' ' O6 ' ' A' ' 47' ' ' ' G' . 8.4 m120 -63.0 -49.76 73.41 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.89 -179.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -60.65 -37.74 82.55 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 1.282 ' NH1' ' C2 ' ' A' ' 68' ' ' ' A' . 19.1 tpp180 -55.78 -46.38 77.95 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -176.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 0.656 ' HG3' ' OE1' ' B' ' 47' ' ' GLU . 68.2 ttp85 -55.9 -34.95 66.02 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 1.275 ' O ' ' HG2' ' B' ' 48' ' ' ARG . 25.5 mmt180 -64.54 -48.54 74.68 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -177.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' TRP . . . . . 0.836 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 90.5 t90 -57.74 -54.37 47.7 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -177.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.409 ' HD3' " O2'" ' A' ' 68' ' ' ' A' . 40.2 mtm105 -57.5 -58.63 7.45 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -177.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.656 ' OE1' ' HG3' ' B' ' 43' ' ' ARG . 0.4 OUTLIER -54.87 -29.84 56.52 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.538 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 1.275 ' HG2' ' O ' ' B' ' 44' ' ' ARG . 22.4 mmm180 -55.75 -47.29 77.21 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.183 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -67.12 -36.99 83.08 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -173.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -58.74 -48.49 81.0 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.1 -52.53 63.98 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.98 -54.78 42.76 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.54 -55.61 32.57 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -178.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.54 -56.65 17.78 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 . . . . . 0 N--CA 1.45 -0.45 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . 0.662 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 C4'-C3'-C2' 99.912 -2.788 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . 0.662 " H5'" " O2'" ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 C4'-C3'-C2' 100.288 -2.412 . 0.591 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.64 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 O4'-C1'-N19 110.947 2.747 . 0.569 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.413 ' C4 ' ' C5 ' ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 O4'-C1'-N19 110.914 2.714 . 0.612 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 0.541 " H2'" ' C8 ' ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.196 1 O4'-C1'-N19 112.574 4.374 . 0.698 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . 1.418 ' C8 ' ' OP2' ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.827 0 O4'-C1'-N19 111.374 3.174 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . 1.403 ' C8 ' " O2'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.543 1 C5'-C4'-C3' 109.235 -4.177 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . 0.965 " O2'" ' H6 ' ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.809 0 C5'-C4'-C3' 110.971 -3.019 . 0.585 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . 0.965 ' H6 ' " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 O4'-C1'-N19 111.91 3.71 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . 1.265 ' H8 ' ' OP2' ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.309 0 O5'-C5'-C4' 115.139 3.528 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 0.483 " H5'" " O2'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 O4'-C1'-N19 112.111 3.911 . 0.602 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.671 0 C5'-C4'-C3' 110.61 -3.26 . 0.53 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.979 0 C4'-C3'-C2' 100.231 -2.469 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . 0.423 " O2'" " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.229 0 C4'-C3'-C2' 100.006 -2.694 . 0.657 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ' G' . . . . . 0.917 " H2'" ' OP2' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.849 0 C4'-C3'-C2' 99.712 -2.988 . 0.653 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ' C' . . . . . 0.804 " O2'" " H5'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.86 1 O4'-C1'-N19 113.747 5.547 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ' A' . . . . . 1.127 " C3'" ' C8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 O4'-C1'-N19 111.913 3.713 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ' A' . . . . . 1.127 ' C8 ' " C3'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 C5'-C4'-C3' 111.716 -2.523 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.926 0 C5'-C4'-C3' 110.508 -3.328 . 0.649 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ' C' . . . . . 0.422 " O2'" " H5'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.786 0 O4'-C1'-N19 111.662 3.462 . 0.713 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . 0.656 " H3'" ' HD3' ' B' ' 35' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 C4'-C3'-C2' 99.86 -2.84 . 0.741 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . 0.821 ' O6 ' ' O6 ' ' A' ' 50' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.379 -3.82 0 O5'-P-OP2 99.99 -3.078 . 0.343 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . 0.561 " H4'" " C5'" ' A' ' 69' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 O4'-C1'-N19 111.124 2.924 . 0.107 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . 0.561 " C5'" " H4'" ' A' ' 68' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.858 1 O4'-C1'-N19 112.678 4.478 . 0.379 6j . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . 1.442 ' OP2' ' C8 ' ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 O5'-C5'-C4' 115.293 3.638 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . 1.138 ' OP1' ' H8 ' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.918 0 O4'-C1'-N19 111.083 2.883 . 0.01 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . 1.268 ' OP2' ' HG3' ' B' ' 43' ' ' ARG . . . . . . . . 0 O4'--C4' 1.422 -2.564 1 O4'-C1'-N19 113.207 5.007 . 0.316 6p . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . 0.947 ' H8 ' " O4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C1'-O4'-C4' 106.978 -2.913 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . 0.537 " H5'" " O2'" ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.104 0 O4'-C1'-N19 112.068 3.868 . 0.66 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . 0.411 ' C2 ' ' C5 ' ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.044 0 C4'-C3'-C2' 100.044 -2.656 . 0.726 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . 0.411 ' C5 ' ' C2 ' ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.192 0 C4'-C3'-C2' 100.056 -2.644 . 0.644 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . 0.436 " O2'" " H5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.198 0 C4'-C3'-C2' 100.014 -2.686 . 0.559 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . 0.554 " H2'" ' C6 ' ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.991 0 O4'-C1'-N19 111.814 3.614 . 0.566 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . 0.554 ' C6 ' " H2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.713 1 O4'-C1'-N19 112.238 4.038 . 0.441 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 110.514 -0.18 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.653 ' O ' ' HB2' ' B' ' 38' ' ' ARG . 9.4 t -156.26 174.02 16.01 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.749 ' HB3' ' NH1' ' B' ' 39' ' ' ARG . 38.5 mtm105 -55.08 -46.35 75.46 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 122.631 0.372 . . . . 0.0 110.44 -174.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 1.081 ' HB3' ' N7 ' ' A' ' 47' ' ' ' G' . 3.9 mp0 -60.07 -67.45 0.39 Allowed 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 1.229 ' O ' ' HG3' ' B' ' 41' ' ' ARG . . . -52.69 -25.21 10.3 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.725 ' O ' ' HB2' ' B' ' 41' ' ' ARG . 22.9 tpt180 -75.74 -54.88 6.25 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -177.369 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.749 ' NH1' ' HB3' ' B' ' 35' ' ' ARG . 88.8 mtm-85 -63.83 -40.88 97.66 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ASN . . . . . 0.608 ' HB3' ' N7 ' ' A' ' 46' ' ' ' G' . 64.8 m-20 -54.71 -31.82 58.7 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 174.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 1.229 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 81.3 mtp180 -65.86 -44.92 83.99 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -67.12 -39.07 86.59 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 1.268 ' HG3' ' OP2' ' A' ' 72' ' ' ' U' . 70.3 ttp85 -53.53 -46.76 70.28 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -174.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 1.242 ' O ' ' HG2' ' B' ' 48' ' ' ARG . 42.3 mtm105 -74.19 -34.03 63.63 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -176.197 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 14.1 t90 -59.93 -42.28 93.63 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -55.81 -71.69 0.08 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.449 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.456 ' C ' ' CD ' ' B' ' 47' ' ' GLU . 4.2 tm-20 -54.12 -43.09 70.17 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.341 -178.116 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 1.242 ' HG2' ' O ' ' B' ' 44' ' ' ARG . 7.9 mmm180 -52.7 -73.94 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.22 0.608 . . . . 0.0 110.194 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -58.24 -33.76 69.71 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -175.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -58.53 -46.78 86.1 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -177.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.08 -53.95 52.24 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.82 -53.4 57.83 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.35 -50.37 69.84 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.57 -54.03 49.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . 0.74 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.195 0 C4'-C3'-C2' 100.297 -2.403 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . 0.74 " H5'" " O2'" ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.108 0 C4'-C3'-C2' 100.292 -2.408 . 0.46 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.716 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 O4'-C1'-N19 111.099 2.899 . 0.498 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 1.529 " C2'" H5'' ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 O4'-C1'-N19 111.111 2.911 . 0.57 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 1.529 H5'' " C2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.905 0 O4'-C1'-N19 111.612 3.412 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . 0.728 " H2'" ' OD1' ' B' ' 40' ' ' ASN . . . . . . . . 0 O4'--C4' 1.42 -2.763 0 C5'-C4'-C3' 111.05 -2.966 . 0.792 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . 1.023 ' N7 ' ' OD1' ' B' ' 40' ' ' ASN . . . . . . . . 0 O4'--C4' 1.414 -3.261 0 C1'-O4'-C4' 106.699 -3.223 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . 0.704 " H5'" " O2'" ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 O4'-C1'-N19 111.404 3.204 . 0.336 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . 0.536 " O2'" " H5'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.225 1 O4'-C1'-N19 112.593 4.393 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . 0.538 " O2'" " H5'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C4'-C3'-C2' 100.299 -2.401 . 0.593 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 0.571 " O2'" " H5'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 O4'-C1'-N19 112.157 3.957 . 0.615 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . 0.571 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.06 0 C4'-C3'-C2' 100.468 -2.232 . 0.644 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 0 C4'-C3'-C2' 100.011 -2.689 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.332 0 O4'-C1'-N19 111.197 2.997 . 0.6 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.842 0 C4'-C3'-C2' 99.945 -2.755 . 0.64 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ' C' . . . . . 1.075 " H4'" ' N7 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.341 1 O4'-C1'-N19 112.572 4.372 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ' A' . . . . . 1.075 ' N7 ' " H4'" ' A' ' 56' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.412 -3.385 0 C4'-C3'-C2' 99.904 -2.796 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ' A' . . . . . 1.168 " O2'" " H5'" ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 N19-C1'-C2' 109.144 -2.66 . 0.331 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . 1.168 " H5'" " O2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 C5'-C4'-C3' 111.764 -2.491 . 0.381 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ' C' . . . . . 0.587 " O2'" " H5'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.902 0 O4'-C1'-N19 111.635 3.435 . 0.696 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . 0.587 " H5'" " O2'" ' A' ' 65' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 O4'-C1'-N19 110.36 2.16 . 0.669 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . 1.017 ' N7 ' ' NH2' ' B' ' 35' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 100.769 -1.931 . 0.674 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . 1.028 ' OP2' ' NH1' ' B' ' 38' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 O4'-C1'-N19 111.553 3.353 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . 0.825 ' H41' HH21 ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.953 1 O4'-C1'-N19 112.682 4.482 . 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . 1.145 ' H8 ' ' OP2' ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 O4'-C1'-N19 111.381 3.181 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . 0.614 ' C8 ' " H2'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 O4'-C1'-N19 111.394 3.194 . 0.064 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.839 0 O4'-C1'-N19 111.715 3.515 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . 0.435 ' C5 ' ' C5 ' ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 C5'-C4'-C3' 111.13 -2.913 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . 0.435 ' C5 ' ' C5 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.696 0 O4'-C1'-N19 111.931 3.731 . 0.717 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . 0.449 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 C4'-C3'-C2' 100.042 -2.658 . 0.699 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . 0.449 " H5'" " O2'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.194 0 C4'-C3'-C2' 100.121 -2.579 . 0.562 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . 0.431 " H5'" " O2'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 C4'-C3'-C2' 100.14 -2.56 . 0.535 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . 0.597 " O2'" " H5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.05 0 O4'-C1'-N19 111.316 3.116 . 0.584 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . 0.597 " H5'" " O2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 O4'-C1'-N19 112.159 3.959 . 0.471 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 . . . . . 0 N--CA 1.471 0.593 0 CA-C-O 120.403 0.144 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 40.3 m -152.82 149.56 28.43 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -172.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 1.017 ' NH2' ' N7 ' ' A' ' 67' ' ' ' G' . 24.5 mtp-105 -54.83 -47.45 74.08 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -178.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -52.75 -59.45 4.47 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 174.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.71 ' HB2' " H3'" ' A' ' 46' ' ' ' G' . . . -55.66 -36.63 67.28 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 -178.378 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 1.028 ' NH1' ' OP2' ' A' ' 68' ' ' ' A' . 71.4 ttt-85 -57.21 -47.6 80.89 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.825 HH21 ' H41' ' A' ' 69' ' ' ' C' . 48.4 mmt-85 -64.16 -46.29 84.69 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ASN . . . . . 1.023 ' OD1' ' N7 ' ' A' ' 47' ' ' ' G' . 7.6 m120 -56.36 -54.04 50.2 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 -176.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -65.66 -48.83 70.78 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -67.01 -43.71 82.18 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -175.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 0.417 HH12 HD21 ' B' ' 40' ' ' ASN . 27.1 ttp-105 -59.16 -34.72 72.43 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -175.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 1.055 ' NH1' ' C5 ' ' A' ' 45' ' ' ' U' . 84.1 mtm180 -71.82 -42.18 67.3 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' TRP . . . . . 0.402 ' CZ3' ' C6 ' ' A' ' 68' ' ' ' A' . 30.4 t90 -67.19 -40.01 86.47 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.891 ' HA ' ' H2 ' ' A' ' 68' ' ' ' A' . 60.3 ttp180 -55.72 -50.07 71.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -178.24 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.806 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 80.3 mm-40 -62.93 -30.72 71.77 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -54.31 48.09 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -178.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -57.45 -30.42 65.01 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 173.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.806 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 1.2 tmt_? -58.48 -59.67 5.0 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.409 0.684 . . . . 0.0 109.358 -179.257 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.01 -53.01 61.22 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.95 -53.12 60.65 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.79 -52.58 63.49 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.6 -53.98 49.77 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.314 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . 0.729 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 C4'-C3'-C2' 100.215 -2.485 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . 0.729 " H5'" " O2'" ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.095 0 C4'-C3'-C2' 100.401 -2.299 . 0.461 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.661 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.026 0 O4'-C1'-N19 111.142 2.942 . 0.549 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.667 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 O4'-C1'-N19 111.511 3.311 . 0.604 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 1.145 ' O4 ' ' NH2' ' B' ' 44' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 112.105 3.905 . 0.617 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . 0.604 " H3'" ' HB2' ' B' ' 37' ' ' ALA . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C5'-C4'-C3' 111.154 -2.898 . 0.733 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . 1.113 ' N7 ' ' HB3' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.413 -3.352 0 C4'-C3'-C2' 99.907 -2.793 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . 0.717 HO2' ' H6 ' ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 O4'-C1'-N19 111.499 3.299 . 0.417 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . 0.772 " O2'" " H5'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.262 1 O4'-C1'-N19 112.512 4.312 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . 1.12 " C3'" ' C6 ' ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.917 0 C3'-C2'-C1' 104.0 2.778 . 0.481 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 1.12 ' C6 ' " C3'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.198 1 O4'-C1'-N19 112.485 4.285 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . 0.485 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 C4'-C3'-C2' 100.36 -2.34 . 0.613 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 C4'-C3'-C2' 99.958 -2.742 . 0.661 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 0 C4'-C3'-C2' 99.957 -2.743 . 0.603 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ' G' . . . . . 0.805 " O5'" ' H8 ' ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C5'-C4'-C3' 112.208 -2.195 . 0.536 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ' C' . . . . . 0.807 " C3'" H5'' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.658 1 O4'-C1'-N19 113.084 4.884 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ' A' . . . . . 1.354 ' C8 ' " H5'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.277 1 C1'-O4'-C4' 104.966 -5.148 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ' A' . . . . . 0.842 ' H8 ' " O5'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C5'-C4'-C3' 111.129 -2.914 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 C5'-C4'-C3' 110.959 -3.028 . 0.644 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 O4'-C1'-N19 111.513 3.313 . 0.698 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . 0.68 " H2'" ' C8 ' ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 O4'-C1'-N19 110.459 2.259 . 0.669 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . 0.68 ' C8 ' " H2'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C4'-C3'-C2' 100.406 -2.294 . 0.535 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . 0.854 ' N3 ' ' HD3' ' B' ' 46' ' ' ARG . . . . . . . . 0 O4'--C4' 1.422 -2.565 1 O4'-C1'-N19 112.408 4.208 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . 0.59 ' C2 ' " H2'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.08 1 O4'-C1'-N19 112.336 4.136 . 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . 1.418 ' N7 ' ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 C5'-C4'-C3' 112.656 -1.896 . 0.596 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . 1.29 ' OP1' ' H8 ' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.69 0 O4'-C1'-N19 111.129 2.929 . 0.0 OUTLIER '7D dist 5z' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . 0.479 " H2'" H5'' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.768 1 O4'-C1'-N19 112.223 4.023 . 0.423 6p . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . 0.555 ' C8 ' " O4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.912 0 N19-C1'-C2' 109.459 -2.463 . 0.609 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . 0.438 " H1'" ' H22' ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 O4'-C1'-N19 112.075 3.875 . 0.689 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . 0.438 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.229 0 C4'-C3'-C2' 100.118 -2.582 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . 0.463 " O2'" " H5'" ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.24 0 C4'-C3'-C2' 100.101 -2.599 . 0.61 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . 0.463 " H5'" " O2'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 C4'-C3'-C2' 100.106 -2.594 . 0.591 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . 0.532 " O2'" " H5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.981 0 O4'-C1'-N19 111.922 3.722 . 0.548 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . 0.532 " H5'" " O2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.779 0 O4'-C1'-N19 112.163 3.963 . 0.462 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 110.573 -0.158 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -156.04 175.3 14.14 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.459 ' O ' ' HG3' ' B' ' 39' ' ' ARG . 78.2 mtt85 -55.39 -47.42 75.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -173.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 1.113 ' HB3' ' N7 ' ' A' ' 47' ' ' ' G' . 4.5 mp0 -61.65 -65.07 0.75 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -178.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.604 ' HB2' " H3'" ' A' ' 46' ' ' ' G' . . . -50.6 -31.0 14.68 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -69.91 -68.06 0.44 Allowed 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 175.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 1.418 ' NH2' ' N7 ' ' A' ' 70' ' ' ' G' . 84.3 mtp180 -51.01 -34.27 28.63 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.381 0.672 . . . . 0.0 110.596 -173.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ASN . . . . . 0.545 ' O ' ' HB2' ' B' ' 44' ' ' ARG . 77.6 m-20 -63.16 -37.45 87.26 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 38.0 mtm105 -76.82 -49.73 15.12 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -179.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 1.187 ' O ' ' CB ' ' B' ' 46' ' ' ARG . 39.1 mmt180 -56.16 -46.45 79.31 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -64.05 -30.85 71.89 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 1.145 ' NH2' ' O4 ' ' A' ' 45' ' ' ' U' . 22.0 tpp180 -70.36 -70.97 0.26 Allowed 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.007 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' TRP . . . . . 0.636 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 23.1 t90 -57.58 -39.93 77.86 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 1.187 ' CB ' ' O ' ' B' ' 42' ' ' ARG . 20.1 tpt180 -55.53 -66.85 0.35 Allowed 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.805 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 88.7 tt0 -55.06 -33.09 62.43 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 174.216 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.636 ' HB3' ' HA ' ' B' ' 45' ' ' TRP . 74.6 ttt-85 -59.15 -45.59 90.59 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 -177.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -57.68 -33.48 68.4 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 177.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.805 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 19.2 tpp180 -64.44 -52.07 59.91 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.012 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.9 -54.17 46.01 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -176.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.545 ' O ' ' HB2' ' B' ' 55' ' ' ARG . . . -55.99 -51.71 66.76 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.45 -60.23 4.18 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.5 32.68 0.35 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.545 ' HB2' ' O ' ' B' ' 52' ' ' ALA . 54.2 ttp180 . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.7 p -87.39 174.16 8.7 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.516 ' O ' ' HG2' ' B' ' 38' ' ' ARG . 23.3 mtp-105 -59.83 -37.91 80.57 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -71.08 -55.72 7.64 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.263 -0.644 . . . . 0.0 109.263 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.695 ' O ' ' HG3' ' B' ' 41' ' ' ARG . . . -47.52 -46.69 27.76 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.859 0.864 . . . . 0.0 110.452 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' B' ' 35' ' ' ARG . 16.3 ptm180 -70.04 -48.37 58.19 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 1.371 ' NH1' ' HD3' ' B' ' 43' ' ' ARG . 29.2 tpt85 -55.35 -45.5 76.47 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -65.52 -50.85 63.7 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.695 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 83.8 mtp180 -60.98 -35.62 77.29 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' B' ' 38' ' ' ARG . 44.1 ttm180 -67.29 -46.25 74.17 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 -176.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . 1.371 ' HD3' ' NH1' ' B' ' 39' ' ' ARG . 35.8 mtm105 -60.35 -21.86 62.58 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -175.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -70.97 -55.59 8.01 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 30.9 t90 -57.7 -41.23 81.25 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 172.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.825 ' HB3' ' HA ' ' B' ' 43' ' ' ARG . 20.9 tpt180 -55.71 -69.76 0.13 Allowed 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.736 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 1.202 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 4.6 tm-20 -60.42 -37.54 81.2 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.219 0.608 . . . . 0.0 110.176 -176.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -61.2 -53.28 58.88 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -58.46 -27.35 64.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.571 -0.899 . . . . 0.0 108.571 172.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 1.202 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 36.2 tpt85 -58.19 -55.08 39.58 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.909 0.884 . . . . 0.0 109.487 173.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.72 ' O ' ' HG2' ' B' ' 55' ' ' ARG . . . -58.13 -51.81 68.16 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.29 64.67 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.65 -53.97 49.97 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.78 -55.43 32.48 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.72 ' HG2' ' O ' ' B' ' 51' ' ' ALA . 22.1 mmm180 . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 . . . . . 0 N--CA 1.471 0.6 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 25.8 m -152.83 149.51 28.38 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -171.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 24.3 mtp-105 -52.43 -40.2 61.91 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -65.93 -53.12 43.35 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.02 -52.29 61.28 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -178.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.68 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 99.9 mtt180 -58.71 -49.72 76.55 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 18.9 tpp85 -56.04 -59.37 5.01 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -57.88 -40.58 80.58 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 122.796 0.438 . . . . 0.0 110.131 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -63.14 -52.21 63.4 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.68 ' HG3' ' O ' ' B' ' 38' ' ' ARG . 99.5 mtt180 -55.36 -39.77 70.47 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -178.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -55.78 -57.14 13.29 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -56.79 -46.15 81.71 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -176.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' TRP . . . . . 0.854 ' O ' ' HB3' ' B' ' 48' ' ' ARG . 0.0 OUTLIER -60.43 -60.26 4.1 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.707 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -55.34 -30.25 59.89 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.602 0.761 . . . . 0.0 110.568 -166.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.33 -36.86 69.2 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 170.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.854 ' HB3' ' O ' ' B' ' 45' ' ' TRP . 15.4 tpp180 -61.52 -57.02 13.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.828 175.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -54.54 -44.38 72.79 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.826 0.45 . . . . 0.0 109.96 -174.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -63.21 -56.64 14.97 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.09 -51.21 68.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.98 -54.83 40.06 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.11 -56.99 14.13 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.45 -57.29 12.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.449 -0.507 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 110.577 -0.157 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 68.4 p -83.66 174.73 10.26 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.541 ' HB2' HE21 ' B' ' 36' ' ' GLN . 45.0 mmm-85 -60.2 -29.26 68.61 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 176.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.66 ' O ' ' ND2' ' B' ' 40' ' ' ASN . 15.8 mm-40 -71.35 -46.54 60.26 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.011 -175.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.677 ' O ' ' HG3' ' B' ' 41' ' ' ARG . . . -51.88 -53.94 34.88 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.239 0.616 . . . . 0.0 110.117 -175.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.732 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 61.2 ttm-85 -56.88 -40.94 77.12 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.724 ' CD ' HH12 ' B' ' 43' ' ' ARG . 24.7 tpt180 -59.62 -44.83 93.31 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -177.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . 0.66 ' ND2' ' O ' ' B' ' 36' ' ' GLN . 9.6 m-80 -70.55 -42.41 71.18 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.677 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 82.1 mtp180 -55.32 -38.09 68.26 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.732 ' HG3' ' O ' ' B' ' 38' ' ' ARG . 93.2 mtt-85 -62.19 -42.89 99.7 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . 0.724 HH12 ' CD ' ' B' ' 39' ' ' ARG . 61.0 mmt-85 -51.33 -35.18 36.88 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -178.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.742 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 0.9 OUTLIER -74.67 -56.62 4.6 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.198 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' TRP . . . . . 0.659 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 20.5 t90 -64.22 -48.87 74.2 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 122.758 0.423 . . . . 0.0 110.567 -176.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -56.86 -50.43 72.5 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -177.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.72 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 49.7 mt-10 -74.7 -28.16 60.69 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.742 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 15.0 tpp180 -55.53 -63.2 1.24 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -179.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -58.3 -29.74 66.09 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.72 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 15.8 tpp180 -58.77 -53.11 62.11 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.07 -52.42 65.59 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.98 -51.51 67.48 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.48 -52.58 63.16 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.02 -57.09 13.61 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.814 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 . . . . . 0 N--CA 1.471 0.623 0 N-CA-C 110.625 -0.139 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.432 ' O ' ' N ' ' B' ' 38' ' ' ARG . 25.1 m -152.56 148.42 27.34 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -171.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 43.5 ttp85 -57.27 -40.45 77.75 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 -176.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -59.09 -58.28 9.36 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 174.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.706 ' O ' ' HG2' ' B' ' 41' ' ' ARG . . . -55.01 -41.3 71.11 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' B' ' 42' ' ' ARG . 8.0 tpm_? -56.22 -51.11 69.28 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 -177.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.789 ' O ' ' HB2' ' B' ' 43' ' ' ARG . 31.5 ttm105 -70.17 -47.07 63.16 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -174.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . 0.854 ' O ' ' HB3' ' B' ' 43' ' ' ARG . 57.3 m-20 -54.78 -58.36 7.89 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.529 0.332 . . . . 0.0 110.414 -174.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.706 ' HG2' ' O ' ' B' ' 37' ' ' ALA . 40.2 ptt180 -70.2 -48.82 55.51 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -177.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.613 ' N ' ' HG3' ' B' ' 41' ' ' ARG . 57.7 ttp180 -55.86 -31.61 62.92 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 177.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . 0.854 ' HB3' ' O ' ' B' ' 40' ' ' ASN . 72.1 ttt-85 -50.35 -39.91 47.75 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 123.564 0.745 . . . . 0.0 109.539 174.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 1.168 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 22.5 mmt180 -74.09 -26.98 60.67 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.103 -174.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' TRP . . . . . 0.675 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 11.4 t90 -71.07 -46.27 62.21 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 1.158 ' NH1' ' HG3' ' B' ' 50' ' ' ARG . 0.8 OUTLIER -57.08 -58.97 5.86 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.699 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.479 ' HA ' ' CB ' ' B' ' 50' ' ' ARG . 40.6 tt0 -71.12 -30.87 67.06 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 1.168 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 25.1 tpt180 -54.33 -73.69 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -62.24 -23.12 66.48 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 1.158 ' HG3' ' NH1' ' B' ' 46' ' ' ARG . 1.2 tmt_? -58.57 -58.55 8.04 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.9 -54.43 42.67 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.35 -51.91 66.51 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.37 -53.9 50.36 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.7 -48.92 74.3 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.381 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.832 ' OD1' ' NH2' ' B' ' 41' ' ' ARG . 13.2 t70 . . . . . 0 N--CA 1.471 0.583 0 CA-C-O 120.769 0.318 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 67.0 p -84.01 175.03 9.82 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 23.6 mtp-105 -54.72 -32.22 59.34 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -67.13 -52.71 38.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.62 -46.66 49.61 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.22 0.608 . . . . 0.0 110.085 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' B' ' 42' ' ' ARG . 99.2 mtt180 -57.95 -51.85 67.92 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 177.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.675 ' HA ' ' HB3' ' B' ' 42' ' ' ARG . 58.4 ttt85 -64.28 -44.5 91.5 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -176.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' B' ' 44' ' ' ARG . 73.9 m-20 -54.48 -42.73 71.03 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.928 ' O ' ' HB3' ' B' ' 44' ' ' ARG . 89.7 mtm180 -74.97 -36.59 62.05 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 174.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.675 ' HB3' ' HA ' ' B' ' 39' ' ' ARG . 15.1 tpp180 -58.09 -58.72 7.19 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -52.04 -30.19 24.5 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 172.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 1.017 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 16.9 tpp180 -62.04 -47.76 83.28 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.859 -175.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' TRP . . . . . 0.407 ' O ' ' CB ' ' B' ' 49' ' ' GLN . 81.3 t90 -57.79 -43.21 85.44 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -178.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -67.16 -62.61 1.34 Allowed 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -176.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.684 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 50.7 mt-10 -55.0 -43.94 74.05 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 1.017 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 0.7 OUTLIER -60.68 -56.6 19.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -179.693 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.407 ' CB ' ' O ' ' B' ' 45' ' ' TRP . 11.7 tp-100 -59.07 -27.05 65.16 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.684 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 16.0 tpp180 -58.61 -50.07 75.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -178.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.12 -54.05 49.73 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.06 -51.25 68.5 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.54 -55.65 29.46 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.87 -56.5 19.91 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -179.661 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 . . . . . 0 N--CA 1.471 0.595 0 N-CA-C 110.589 -0.152 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 52.9 p -83.81 171.41 13.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 25.9 mtp-105 -60.29 -33.88 72.97 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' B' ' 40' ' ' ASN . 4.1 mp0 -65.34 -50.84 64.09 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 1.033 ' O ' ' HB2' ' B' ' 41' ' ' ARG . . . -55.66 -40.73 72.64 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.819 ' O ' ' HG2' ' B' ' 42' ' ' ARG . 84.4 mtp180 -70.12 -44.75 68.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 176.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' B' ' 43' ' ' ARG . 24.4 tpt180 -58.68 -62.92 1.5 Allowed 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . 0.678 ' O ' ' HB3' ' B' ' 43' ' ' ARG . 48.1 m-20 -53.21 -36.79 61.38 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 173.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 1.033 ' HB2' ' O ' ' B' ' 37' ' ' ALA . 69.7 ttt-85 -57.02 -50.34 73.01 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 1.293 ' CB ' ' NH2' ' B' ' 46' ' ' ARG . 31.9 mmt180 -67.25 -36.02 80.75 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . 0.678 ' HB3' ' O ' ' B' ' 40' ' ' ASN . 4.2 tpm_? -48.58 -46.42 39.25 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.383 1.073 . . . . 0.0 109.924 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 94.3 mtt-85 -73.91 -44.01 56.57 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.312 -173.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -63.08 -34.32 77.34 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 122.719 0.408 . . . . 0.0 110.186 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 1.293 ' NH2' ' CB ' ' B' ' 42' ' ' ARG . 4.1 tpp180 -55.81 -64.42 0.86 Allowed 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -59.62 -43.17 93.9 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.83 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 1.6 tmm_? -54.37 -54.01 46.33 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 -177.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -55.07 -43.54 73.96 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 122.77 0.428 . . . . 0.0 110.115 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' B' ' 46' ' ' ARG . 30.1 mmt180 -58.9 -56.41 22.58 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -177.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' B' ' 55' ' ' ARG . . . -55.6 -47.42 76.53 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -177.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.16 -54.92 22.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.36 -51.74 65.79 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.81 -57.58 11.43 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' B' ' 51' ' ' ALA . 77.2 mtp180 . . . . . 0 N--CA 1.45 -0.458 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 . . . . . 0 N--CA 1.471 0.607 0 CA-C-O 120.555 0.217 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 33.2 m -153.88 148.87 26.72 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -171.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -49.76 -25.46 3.04 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.46 0.704 . . . . 0.0 109.937 -175.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -71.33 -57.82 4.1 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.02 -45.29 61.19 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.34 0.656 . . . . 0.0 110.674 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -55.81 -63.06 1.3 Allowed 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -44.04 64.72 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.928 0.491 . . . . 0.0 109.893 -177.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . 0.402 ' O ' ' HB2' ' B' ' 44' ' ' ARG . 66.9 m-20 -61.76 -41.68 98.0 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -178.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -75.07 -52.97 9.71 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -53.84 -48.94 69.46 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -58.64 -58.01 10.46 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 61.9 ttm-85 -55.57 -43.56 76.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.861 -177.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 28.5 t90 -58.31 -48.41 80.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -175.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' B' ' 50' ' ' ARG . 88.7 mtm180 -58.59 -56.25 24.62 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 -177.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.468 ' HA ' ' CB ' ' B' ' 50' ' ' ARG . 12.2 mm-40 -56.23 -38.63 71.33 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -178.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 1.4 tmm_? -59.92 -52.25 66.22 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -65.96 -33.84 76.74 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' B' ' 46' ' ' ARG . 1.2 tmt_? -58.38 -57.6 12.21 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.96 -53.36 56.64 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.61 -46.64 80.8 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.51 -3.54 15.09 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 119.604 -0.236 . . . . 0.0 110.936 -175.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.14 57.15 0.15 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.427 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.416 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.471 0.585 0 CA-C-O 120.503 0.192 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 87.4 m -156.02 152.88 28.64 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -171.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 20.1 tpp85 -51.61 -49.98 61.12 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 -178.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -59.29 -56.04 27.2 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' B' ' 41' ' ' ARG . . . -53.74 -48.34 69.75 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -178.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 -60.36 -53.21 60.37 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -57.04 -52.78 63.92 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . 0.797 ' O ' ' HB3' ' B' ' 43' ' ' ARG . 64.8 m-20 -62.83 -50.89 69.18 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.472 ' CB ' ' O ' ' B' ' 37' ' ' ALA . 35.6 ttm180 -59.24 -48.55 81.2 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.591 ' O ' ' HB2' ' B' ' 46' ' ' ARG . 70.0 ttp85 -53.67 -27.98 30.78 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . 0.99 ' CG ' HH21 ' B' ' 44' ' ' ARG . 2.3 tpp180 -56.87 -45.58 82.39 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.99 HH21 ' CG ' ' B' ' 43' ' ' ARG . 5.9 mmp_? -59.8 -61.41 2.63 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -57.88 -49.26 77.31 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.131 -177.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.673 HH12 ' CG ' ' B' ' 50' ' ' ARG . 0.2 OUTLIER -59.53 -54.79 42.44 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -176.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -66.49 -32.17 73.37 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 14.5 tpp180 -55.25 -65.73 0.54 Allowed 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -176.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -58.77 -28.22 65.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.673 ' CG ' HH12 ' B' ' 46' ' ' ARG . 0.4 OUTLIER -58.89 -53.72 55.23 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.645 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.04 -45.38 90.91 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.67 ' O ' ' HB3' ' B' ' 55' ' ' ARG . . . -56.5 -44.95 81.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 -175.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.07 -50.89 68.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -176.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.06 -40.4 73.49 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.67 ' HB3' ' O ' ' B' ' 52' ' ' ALA . 22.2 tpt180 . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 . . . . . 0 N--CA 1.47 0.567 0 CA-C-O 120.556 0.217 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.53 ' O ' ' N ' ' B' ' 38' ' ' ARG . 53.4 m -153.44 152.62 31.22 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -172.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 23.9 mtp-105 -47.38 -53.72 13.09 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 123.865 0.866 . . . . 0.0 109.335 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -56.36 -53.97 51.01 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.302 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.3 95.48 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 176.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' B' ' 34' ' ' THR . 7.3 tpm_? -55.99 -57.93 10.05 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 74.0 mtp85 -57.75 -51.25 70.34 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -176.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -57.17 -45.91 83.24 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -64.26 -41.11 97.1 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -66.87 -35.66 80.53 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -174.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . 0.785 ' HA ' ' HB3' ' B' ' 46' ' ' ARG . 7.2 tmm_? -64.39 -17.95 64.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -176.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.881 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 29.1 mmt180 -72.0 -59.1 2.92 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 172.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' TRP . . . . . 0.462 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 43.2 t90 -58.24 -36.99 74.02 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 174.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.785 ' HB3' ' HA ' ' B' ' 43' ' ' ARG . 78.2 ttt180 -55.58 -79.68 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.771 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 4.5 tm-20 -53.95 -36.76 63.17 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -178.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.881 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 24.2 tpt180 -48.56 -61.12 2.18 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.955 0.902 . . . . 0.0 110.132 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -74.14 -14.67 61.0 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.771 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 16.6 tpp180 -58.88 -40.65 85.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 174.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.3 -44.01 76.4 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.59 -52.19 65.75 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.48 -52.29 65.99 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.69 -54.88 38.84 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 61.7 ttm-85 . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.323 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 110.672 -0.122 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.528 ' O ' ' N ' ' B' ' 38' ' ' ARG . 16.2 m -152.55 148.07 26.94 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -172.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.736 ' O ' ' HB3' ' B' ' 38' ' ' ARG . 90.8 mtm-85 -53.48 -30.74 42.55 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -176.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -62.79 -64.3 0.96 Allowed 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 173.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' B' ' 41' ' ' ARG . . . -58.58 -10.74 2.4 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 173.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.834 ' CD ' HH21 ' B' ' 41' ' ' ARG . 11.2 tpt180 -75.39 -52.89 9.7 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -175.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 1.298 ' O ' ' HB2' ' B' ' 43' ' ' ARG . 99.7 mtt180 -61.44 -38.21 86.35 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -63.11 -56.28 18.17 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.446 -173.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.834 HH21 ' CD ' ' B' ' 38' ' ' ARG . 36.5 ptt180 -65.09 -54.27 32.65 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.755 ' O ' ' HB2' ' B' ' 46' ' ' ARG . 66.9 mtm180 -67.32 -27.81 67.46 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . 1.298 ' HB2' ' O ' ' B' ' 39' ' ' ARG . 2.9 tmm_? -56.5 -53.0 62.62 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.818 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 94.3 mtt-85 -55.54 -60.98 2.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' TRP . . . . . 0.459 ' O ' ' CB ' ' B' ' 49' ' ' GLN . 34.1 t90 -57.64 -33.25 68.08 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.813 ' HB3' ' O ' ' B' ' 43' ' ' ARG . 78.9 ttt180 -55.73 -73.97 0.05 Allowed 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 123.437 0.695 . . . . 0.0 109.789 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.978 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 3.9 tm-20 -58.59 -45.43 89.11 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 123.078 0.551 . . . . 0.0 109.556 176.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.818 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 0.5 OUTLIER -55.47 -58.33 8.21 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.046 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.459 ' CB ' ' O ' ' B' ' 45' ' ' TRP . 11.6 tp-100 -57.31 -29.25 63.76 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 176.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.978 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 73.4 ttt-85 -58.77 -55.41 35.49 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.724 177.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.68 -48.91 74.29 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.413 ' HB2' ' NH1' ' B' ' 48' ' ' ARG . . . -55.95 -53.08 61.25 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -178.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.15 -55.96 26.68 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.94 -57.68 11.74 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 -179.893 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 48.8 p30 . . . . . 0 N--CA 1.471 0.598 0 N-CA-C 110.605 -0.146 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 65.8 p -143.72 -177.74 5.56 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.116 0.966 . . . . 0.0 108.636 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 5.3 tpp85 -51.67 -41.32 61.3 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.359 0.664 . . . . 0.0 109.86 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -64.0 -55.99 18.33 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -173.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.897 ' O ' ' HG3' ' B' ' 41' ' ' ARG . . . -50.69 -47.24 58.94 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.169 0.587 . . . . 0.0 110.444 -176.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 18.3 mmt85 -61.34 -54.15 47.55 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -55.53 -52.15 64.66 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -176.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' B' ' 44' ' ' ARG . 51.2 m-20 -52.88 -44.82 67.13 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.833 0.453 . . . . 0.0 110.109 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.897 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 94.5 mtt-85 -56.87 -52.98 62.99 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -177.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -54.58 -56.01 23.4 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -178.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -54.12 -43.01 70.11 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 173.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.795 ' HB3' ' O ' ' B' ' 41' ' ' ARG . 18.1 tpp180 -53.17 -49.83 65.84 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 123.526 0.73 . . . . 0.0 110.119 -177.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -59.61 -55.86 29.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 -176.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 1.061 ' O ' ' HB2' ' B' ' 50' ' ' ARG . 76.9 mtm180 -56.85 -35.61 69.06 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -174.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.552 ' CD ' ' C ' ' B' ' 47' ' ' GLU . 2.9 tm-20 -68.32 -56.42 8.64 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.34 -58.19 9.24 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -177.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -63.06 -47.07 84.54 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -175.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 1.061 ' HB2' ' O ' ' B' ' 46' ' ' ARG . 1.1 tmm_? -58.73 -56.84 16.94 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -176.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.72 -49.5 74.98 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -178.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 1.358 ' O ' ' CG ' ' B' ' 55' ' ' ARG . . . -56.27 -56.86 15.83 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.15 -55.34 34.24 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -178.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.75 -25.59 41.4 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 1.358 ' CG ' ' O ' ' B' ' 52' ' ' ALA . 6.2 ppt_? . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 . . . . . 0 N--CA 1.471 0.595 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.97 ' O ' ' HG2' ' B' ' 38' ' ' ARG . 74.2 p -141.47 173.57 11.37 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.198 0.999 . . . . 0.0 109.004 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.578 ' O ' ' HG2' ' B' ' 39' ' ' ARG . 19.0 tpp85 -59.97 -49.42 77.74 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -56.45 -52.96 62.71 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -176.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 1.27 ' O ' ' HB2' ' B' ' 41' ' ' ARG . . . -52.13 -43.81 64.19 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.97 ' HG2' ' O ' ' B' ' 34' ' ' THR . 31.0 mmt180 -59.03 -60.8 3.29 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 177.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.578 ' HG2' ' O ' ' B' ' 35' ' ' ARG . 24.3 mmm180 -53.91 -61.65 2.17 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -177.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -55.41 -30.15 59.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 176.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 1.27 ' HB2' ' O ' ' B' ' 37' ' ' ALA . 56.5 ttt85 -70.86 -45.13 64.98 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.778 -175.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.726 ' O ' ' HG2' ' B' ' 46' ' ' ARG . 1.1 mpt_? -58.03 -57.75 11.46 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -177.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . 0.786 ' HA ' ' CG ' ' B' ' 46' ' ' ARG . 11.8 ptp180 -55.96 -31.54 63.07 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 -171.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 85.2 mtt-85 -57.82 -51.39 69.78 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 174.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' TRP . . . . . 0.688 ' O ' ' HB3' ' B' ' 48' ' ' ARG . 37.8 t90 -66.76 -34.19 77.28 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.786 ' CG ' ' HA ' ' B' ' 43' ' ' ARG . 20.9 mmm180 -55.79 -68.03 0.24 Allowed 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.588 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 87.9 tt0 -54.79 -30.02 55.87 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.688 ' HB3' ' O ' ' B' ' 45' ' ' TRP . 14.6 tpp180 -56.12 -60.11 3.95 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -65.09 -29.91 70.82 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.588 ' HB3' ' HA ' ' B' ' 47' ' ' GLU . 15.7 tpp180 -58.83 -54.93 41.59 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' B' ' 55' ' ' ARG . . . -56.08 -49.55 73.49 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.93 -50.29 71.15 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -56.07 24.46 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.65 -55.39 33.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.417 ' CB ' ' O ' ' B' ' 51' ' ' ALA . 73.7 ttt-85 . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.2 p -83.9 178.76 7.76 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.706 ' O ' ' HG2' ' B' ' 39' ' ' ARG . 22.2 mtp-105 -55.55 -21.93 19.3 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 177.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.76 -43.06 98.5 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 123.388 0.675 . . . . 0.0 110.152 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.649 ' O ' ' HG2' ' B' ' 41' ' ' ARG . . . -54.74 -49.85 69.82 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -178.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -57.18 -31.81 65.81 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 1.158 ' O ' ' HB2' ' B' ' 43' ' ' ARG . 24.4 mmm180 -79.31 -40.68 29.79 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . 0.442 ' O ' ' HB3' ' B' ' 43' ' ' ARG . 67.7 m-20 -71.86 -71.78 0.26 Allowed 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -174.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.649 ' HG2' ' O ' ' B' ' 37' ' ' ALA . 40.0 ptt180 -64.07 -47.85 78.51 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.409 ' N ' ' HG3' ' B' ' 41' ' ' ARG . 56.6 ttt-85 -46.83 -43.6 18.64 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.092 0.957 . . . . 0.0 110.338 174.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . 1.158 ' HB2' ' O ' ' B' ' 39' ' ' ARG . 6.1 tmm_? -54.96 -52.14 63.97 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 -61.18 -51.55 68.55 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 -177.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' TRP . . . . . 0.423 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 38.5 t90 -57.28 -14.03 3.94 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.542 HH22 HH11 ' B' ' 50' ' ' ARG . 0.2 OUTLIER -72.34 -57.76 3.94 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.728 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.831 ' OE1' ' HG3' ' B' ' 48' ' ' ARG . 1.3 pp20? -75.36 -27.28 59.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -177.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.831 ' HG3' ' OE1' ' B' ' 47' ' ' GLU . 95.9 mtt180 -62.4 -37.7 86.8 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 174.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.15 -49.3 78.4 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -178.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.744 ' HG2' ' O ' ' B' ' 47' ' ' GLU . 17.1 ptm180 -64.5 -40.69 96.12 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.062 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.15 -45.25 75.66 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -175.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.72 -52.41 65.6 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.18 -56.2 23.51 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.25 -56.05 24.37 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.115 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.573 ' O ' ' HD3' ' B' ' 38' ' ' ARG . 81.5 p -142.07 177.17 8.4 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.151 0.98 . . . . 0.0 108.71 179.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 24.4 mtp-105 -59.2 -33.28 70.77 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -176.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -57.05 -51.79 67.84 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.48 -39.43 67.5 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.463 0.305 . . . . 0.0 110.212 -176.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.573 ' HD3' ' O ' ' B' ' 34' ' ' THR . 1.4 mpt_? -57.8 -63.75 1.14 Allowed 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -176.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' B' ' 43' ' ' ARG . 88.7 mtm-85 -57.93 -43.96 86.6 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -176.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . 0.432 ' O ' ' HB3' ' B' ' 43' ' ' ARG . 54.8 m-20 -55.57 -60.93 2.73 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -57.17 -52.46 65.23 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 176.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.451 ' HB3' ' HA ' ' B' ' 39' ' ' ARG . 58.5 ttt85 -52.49 -33.2 43.72 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.12 -179.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . 0.543 ' N ' ' O ' ' B' ' 39' ' ' ARG . 37.7 ttm180 -56.93 -45.16 82.93 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.729 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 1.0 OUTLIER -62.55 -47.8 82.29 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -177.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -57.79 -59.41 5.26 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -177.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -59.73 -50.61 73.16 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.524 ' CD ' ' C ' ' B' ' 47' ' ' GLU . 5.3 tm-20 -55.93 -48.9 74.89 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.729 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 1.1 tmm_? -55.22 -55.32 32.6 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -56.44 -36.95 69.61 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.492 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 61.9 ttm-85 -58.8 -52.55 65.22 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.58 -50.03 71.18 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.97 -55.71 29.43 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.32 -54.55 45.5 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.79 -53.84 51.73 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? . . . . . 0 N--CA 1.45 -0.444 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 -178.861 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -156.11 -177.0 6.26 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 1.259 ' O ' ' HG2' ' B' ' 39' ' ' ARG . 23.5 mtp-105 -56.46 -47.29 79.49 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -175.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' B' ' 39' ' ' ARG . 30.0 mm100 -56.89 -50.26 73.05 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -176.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.569 ' O ' ' CB ' ' B' ' 41' ' ' ARG . . . -55.55 -55.79 27.82 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' B' ' 42' ' ' ARG . 94.1 mtt-85 -55.59 -35.98 66.4 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 1.259 ' HG2' ' O ' ' B' ' 35' ' ' ARG . 25.0 mmm180 -63.1 -70.79 0.19 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . 0.65 ' O ' ' HG2' ' B' ' 44' ' ' ARG . 20.2 p30 -62.35 -24.77 67.53 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -177.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.569 ' CB ' ' O ' ' B' ' 37' ' ' ALA . 39.2 ttm180 -75.74 -55.15 5.92 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 177.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' B' ' 38' ' ' ARG . 61.7 ttm-85 -56.02 -37.87 69.76 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -56.95 -41.04 77.54 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' B' ' 40' ' ' ASN . 29.1 mmt180 -60.06 -54.6 44.05 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 29.6 t90 -57.7 -51.25 70.31 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.075 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' B' ' 50' ' ' ARG . 56.1 ttp180 -62.84 -40.2 96.72 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -174.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 1.114 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 36.3 tt0 -70.99 -44.37 66.1 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -61.23 -50.03 74.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -56.88 -30.84 64.25 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 173.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 1.114 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 25.8 tpt180 -58.51 -55.07 39.85 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 123.958 0.903 . . . . 0.0 109.627 176.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.63 -53.04 62.62 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.64 -54.96 40.97 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.47 -50.94 70.27 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.71 -51.49 67.14 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 81.0 ttt180 . . . . . 0 N--CA 1.449 -0.494 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.572 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 . . . . . 0 N--CA 1.47 0.575 0 N-CA-C 110.726 -0.102 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 6.1 m -149.8 150.43 31.99 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -173.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.938 ' O ' ' HB2' ' B' ' 39' ' ' ARG . 23.6 mmt85 -52.2 -32.1 34.85 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 178.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -71.19 -61.46 1.76 Allowed 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.413 0.685 . . . . 0.0 109.695 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.67 -57.43 9.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.373 0.669 . . . . 0.0 110.139 -177.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 57.0 ttp85 -56.69 -52.95 62.96 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.938 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 13.3 tpt180 -52.73 -56.45 15.47 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.481 0.712 . . . . 0.0 109.76 -175.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -63.0 -49.76 73.41 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.89 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -60.65 -37.74 82.55 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -55.78 -46.38 77.95 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -176.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . 0.656 ' HG3' ' OE1' ' B' ' 47' ' ' GLU . 68.2 ttp85 -55.9 -34.95 66.02 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 1.275 ' O ' ' HG2' ' B' ' 48' ' ' ARG . 25.5 mmt180 -64.54 -48.54 74.68 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -177.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' TRP . . . . . 0.836 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 90.5 t90 -57.74 -54.37 47.7 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -177.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 40.2 mtm105 -57.5 -58.63 7.45 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -177.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.656 ' OE1' ' HG3' ' B' ' 43' ' ' ARG . 0.4 OUTLIER -54.87 -29.84 56.52 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.538 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 1.275 ' HG2' ' O ' ' B' ' 44' ' ' ARG . 22.4 mmm180 -55.75 -47.29 77.21 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -67.12 -36.99 83.08 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -173.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -58.74 -48.49 81.0 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.1 -52.53 63.98 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.98 -54.78 42.76 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.54 -55.61 32.57 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -178.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.54 -56.65 17.78 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 . . . . . 0 N--CA 1.45 -0.45 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 110.514 -0.18 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.653 ' O ' ' HB2' ' B' ' 38' ' ' ARG . 9.4 t -156.26 174.02 16.01 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.749 ' HB3' ' NH1' ' B' ' 39' ' ' ARG . 38.5 mtm105 -55.08 -46.35 75.46 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 122.631 0.372 . . . . 0.0 110.44 -174.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -60.07 -67.45 0.39 Allowed 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 1.229 ' O ' ' HG3' ' B' ' 41' ' ' ARG . . . -52.69 -25.21 10.3 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.725 ' O ' ' HB2' ' B' ' 41' ' ' ARG . 22.9 tpt180 -75.74 -54.88 6.25 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -177.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.749 ' NH1' ' HB3' ' B' ' 35' ' ' ARG . 88.8 mtm-85 -63.83 -40.88 97.66 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -54.71 -31.82 58.7 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 174.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 1.229 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 81.3 mtp180 -65.86 -44.92 83.99 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -67.12 -39.07 86.59 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -53.53 -46.76 70.28 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -174.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 1.242 ' O ' ' HG2' ' B' ' 48' ' ' ARG . 42.3 mtm105 -74.19 -34.03 63.63 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -176.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 14.1 t90 -59.93 -42.28 93.63 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -55.81 -71.69 0.08 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.449 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.456 ' CD ' ' C ' ' B' ' 47' ' ' GLU . 4.2 tm-20 -54.12 -43.09 70.17 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.341 -178.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 1.242 ' HG2' ' O ' ' B' ' 44' ' ' ARG . 7.9 mmm180 -52.7 -73.94 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.22 0.608 . . . . 0.0 110.194 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -58.24 -33.76 69.71 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -175.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -58.53 -46.78 86.1 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -177.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.08 -53.95 52.24 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.82 -53.4 57.83 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.35 -50.37 69.84 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.57 -54.03 49.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 . . . . . 0 N--CA 1.471 0.593 0 CA-C-O 120.403 0.144 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 40.3 m -152.82 149.56 28.43 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -172.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 24.5 mtp-105 -54.83 -47.45 74.08 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -178.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -52.75 -59.45 4.47 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 174.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.66 -36.63 67.28 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -57.21 -47.6 80.89 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.409 ' O ' ' CB ' ' B' ' 43' ' ' ARG . 48.4 mmt-85 -64.16 -46.29 84.69 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . 0.557 ' O ' ' HG3' ' B' ' 44' ' ' ARG . 51.9 m-20 -56.36 -54.04 50.2 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 -176.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -65.66 -48.83 70.78 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -67.01 -43.71 82.18 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -175.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . 0.409 ' CB ' ' O ' ' B' ' 39' ' ' ARG . 27.1 ttp-105 -59.16 -34.72 72.43 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -175.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' B' ' 40' ' ' ASN . 84.1 mtm180 -71.82 -42.18 67.3 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 30.4 t90 -67.19 -40.01 86.47 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -55.72 -50.07 71.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -178.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.806 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 80.3 mm-40 -62.93 -30.72 71.77 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -54.31 48.09 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -178.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -57.45 -30.42 65.01 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 173.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.806 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 1.2 tmt_? -58.48 -59.67 5.0 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.409 0.684 . . . . 0.0 109.358 -179.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.01 -53.01 61.22 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.95 -53.12 60.65 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.79 -52.58 63.49 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.6 -53.98 49.77 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.314 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 110.573 -0.158 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -156.04 175.3 14.14 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.459 ' O ' ' HG3' ' B' ' 39' ' ' ARG . 78.2 mtt85 -55.39 -47.42 75.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -173.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -61.65 -65.07 0.75 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -178.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.574 ' O ' ' HG3' ' B' ' 41' ' ' ARG . . . -50.6 -31.0 14.68 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -69.91 -68.06 0.44 Allowed 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 175.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 84.3 mtp180 -51.01 -34.27 28.63 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.381 0.672 . . . . 0.0 110.596 -173.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . 0.545 ' O ' ' HB2' ' B' ' 44' ' ' ARG . 77.6 m-20 -63.16 -37.45 87.26 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 38.0 mtm105 -76.82 -49.73 15.12 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -179.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 1.187 ' O ' ' CB ' ' B' ' 46' ' ' ARG . 39.1 mmt180 -56.16 -46.45 79.31 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -64.05 -30.85 71.89 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.545 ' HB2' ' O ' ' B' ' 40' ' ' ASN . 22.0 tpp180 -70.36 -70.97 0.26 Allowed 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' TRP . . . . . 0.636 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 23.1 t90 -57.58 -39.93 77.86 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 1.187 ' CB ' ' O ' ' B' ' 42' ' ' ARG . 20.1 tpt180 -55.53 -66.85 0.35 Allowed 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.805 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 88.7 tt0 -55.06 -33.09 62.43 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 174.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.636 ' HB3' ' HA ' ' B' ' 45' ' ' TRP . 74.6 ttt-85 -59.15 -45.59 90.59 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 -177.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -57.68 -33.48 68.4 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 177.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.805 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 19.2 tpp180 -64.44 -52.07 59.91 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.9 -54.17 46.01 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -176.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.545 ' O ' ' HB2' ' B' ' 55' ' ' ARG . . . -55.99 -51.71 66.76 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.45 -60.23 4.18 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.5 32.68 0.35 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ARG . . . . . 0.545 ' HB2' ' O ' ' B' ' 52' ' ' ALA . 54.2 ttp180 . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . 0.62 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 C4'-C3'-C2' 100.222 -2.478 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . 0.62 " H5'" " O2'" ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.2 0 C4'-C3'-C2' 100.079 -2.621 . 0.506 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.545 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.88 0 O4'-C1'-N19 111.567 3.367 . 0.609 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.543 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 O4'-C1'-N19 111.64 3.44 . 0.591 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 0.97 " O2'" " H5'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.189 1 O4'-C1'-N19 112.29 4.09 . 0.594 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . 1.288 " O2'" ' C8 ' ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 O4'-C1'-N19 111.936 3.736 . 0.535 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . 1.295 ' N7 ' ' HB3' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.422 -2.544 1 C5'-C4'-C3' 109.369 -4.088 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . 0.518 ' C8 ' ' HG2' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C5'-C4'-C3' 110.386 -3.409 . 0.707 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . 0.64 " O2'" " H5'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.228 1 O4'-C1'-N19 113.145 4.945 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . 0.64 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 C4'-C3'-C2' 100.343 -2.357 . 0.497 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 O4'-C1'-N19 110.621 2.421 . 0.6 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C5'-C4'-C3' 111.122 -2.919 . 0.406 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ' G' . . . . . 0.838 ' H8 ' ' OP2' ' A' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 C4'-C3'-C2' 99.784 -2.916 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . 0.477 " O2'" " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 O4'-C1'-N19 111.23 3.03 . 0.505 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ' G' . . . . . 0.812 " H2'" " H5'" ' A' ' 56' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.741 0 C4'-C3'-C2' 100.187 -2.513 . 0.538 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ' C' . . . . . 0.812 " H5'" " H2'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.632 1 O4'-C1'-N19 113.439 5.239 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ' A' . . . . . 0.923 " H2'" ' C8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.301 0 C3'-C2'-C1' 104.191 2.99 . 0.254 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ' A' . . . . . 0.923 ' C8 ' " H2'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C5'-C4'-C3' 112.258 -2.162 . 0.503 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . 0.413 ' H8 ' H5'' ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C5'-C4'-C3' 111.098 -2.934 . 0.725 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ' C' . . . . . 0.642 " H2'" ' C6 ' ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.915 0 O4'-C1'-N19 111.937 3.737 . 0.673 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . 0.751 ' OP2' ' HD2' ' B' ' 35' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 O4'-C1'-N19 111.584 3.384 . 0.586 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . 1.47 " O5'" ' C8 ' ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 O4'-C1'-N19 111.247 3.047 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 O4'-C1'-N19 111.47 3.27 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . 0.633 " O2'" " H5'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.053 1 O4'-C1'-N19 113.23 5.03 . 0.0 OUTLIER '7D dist 6j' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . 1.023 " H3'" " H2'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 C5'-C4'-C3' 112.169 -2.221 . 0.616 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . 1.276 " H4'" " C5'" ' A' ' 72' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.844 0 C5'-C4'-C3' 111.144 -2.904 . 0.011 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . 1.276 " C5'" " H4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.617 1 O4'-C1'-N19 112.99 4.79 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . 0.993 " O2'" " H5'" ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C5'-C4'-C3' 110.907 -3.062 . 0.455 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . 1.442 ' C6 ' ' OP2' ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.296 1 O5'-C5'-C4' 115.81 4.007 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . 0.411 ' C6 ' ' C5 ' ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 C4'-C3'-C2' 100.076 -2.624 . 0.686 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . 0.537 ' C2 ' ' C8 ' ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.991 0 C5'-C4'-C3' 111.644 -2.571 . 0.765 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . 0.537 ' C8 ' ' C2 ' ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.458 0 C5'-C4'-C3' 111.602 -2.599 . 0.852 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . 0.642 " H2'" ' C6 ' ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.588 1 O4'-C1'-N19 112.922 4.722 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . 0.642 ' C6 ' " H2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.972 1 P-O3'-C3' 127.43 6.442 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.7 p -87.39 174.16 8.7 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.751 ' HD2' ' OP2' ' A' ' 66' ' ' ' U' . 23.3 mtp-105 -59.83 -37.91 80.57 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 1.295 ' HB3' ' N7 ' ' A' ' 47' ' ' ' G' . 22.3 mp0 -71.08 -55.72 7.64 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.263 -0.644 . . . . 0.0 109.263 -176.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.695 ' O ' ' HG3' ' B' ' 41' ' ' ARG . . . -47.52 -46.69 27.76 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.859 0.864 . . . . 0.0 110.452 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' B' ' 35' ' ' ARG . 16.3 ptm180 -70.04 -48.37 58.19 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 1.371 ' NH1' ' HD3' ' B' ' 43' ' ' ARG . 29.2 tpt85 -55.35 -45.5 76.47 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . 0.456 ' HB3' ' N7 ' ' A' ' 46' ' ' ' G' . 71.6 m-20 -65.52 -50.85 63.7 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.695 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 83.8 mtp180 -60.98 -35.62 77.29 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' B' ' 38' ' ' ARG . 44.1 ttm180 -67.29 -46.25 74.17 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 -176.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 1.371 ' HD3' ' NH1' ' B' ' 39' ' ' ARG . 35.8 mtm105 -60.35 -21.86 62.58 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -175.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.924 ' NH2' ' O4 ' ' A' ' 45' ' ' ' U' . 26.4 mmt180 -70.97 -55.59 8.01 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 176.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 30.9 t90 -57.7 -41.23 81.25 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 172.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.825 ' HB3' ' HA ' ' B' ' 43' ' ' ARG . 20.9 tpt180 -55.71 -69.76 0.13 Allowed 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.736 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 1.202 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 4.6 tm-20 -60.42 -37.54 81.2 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.219 0.608 . . . . 0.0 110.176 -176.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -61.2 -53.28 58.88 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -58.46 -27.35 64.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.571 -0.899 . . . . 0.0 108.571 172.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 1.202 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 36.2 tpt85 -58.19 -55.08 39.58 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.909 0.884 . . . . 0.0 109.487 173.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.72 ' O ' ' HG2' ' B' ' 55' ' ' ARG . . . -58.13 -51.81 68.16 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.29 64.67 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.65 -53.97 49.97 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.78 -55.43 32.48 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.72 ' HG2' ' O ' ' B' ' 51' ' ' ALA . 22.1 mmm180 . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . 0.42 ' C6 ' ' C5 ' ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 C4'-C3'-C2' 100.07 -2.63 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . 0.511 " O2'" " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.778 0 C5'-C4'-C3' 111.001 -2.999 . 0.696 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.511 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.799 0 O4'-C1'-N19 111.392 3.192 . 0.631 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.496 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 O4'-C1'-N19 111.06 2.86 . 0.676 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 1.094 ' C6 ' ' NH1' ' B' ' 44' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 O4'-C1'-N19 111.467 3.267 . 0.695 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . 0.994 " H5'" " O2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.671 0 O4'-C1'-N19 111.15 2.95 . 0.404 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . 0.874 ' C8 ' ' HG2' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C4'-C3'-C2' 100.132 -2.568 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . 0.763 " O3'" ' H6 ' ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C5'-C4'-C3' 110.024 -3.65 . 0.779 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . 0.763 ' H6 ' " O3'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.314 1 O4'-C1'-N19 112.761 4.561 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . 0.622 ' O6 ' ' O6 ' ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.216 0 C4'-C3'-C2' 100.174 -2.526 . 0.586 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 0.55 " H2'" ' C8 ' ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 111.578 3.378 . 0.609 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . 0.762 " H2'" ' C8 ' ' A' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.957 0 C4'-C3'-C2' 100.187 -2.513 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ' G' . . . . . 0.885 " C3'" ' C6 ' ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 C4'-C3'-C2' 100.217 -2.483 . 0.579 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . 0.885 ' C6 ' " C3'" ' A' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.001 2 O4'-C1'-N19 113.247 5.047 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ' G' . . . . . 1.004 " O2'" ' N6 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.427 1 P-O3'-C3' 127.858 6.799 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ' C' . . . . . 1.329 " H4'" ' N7 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.199 1 O4'-C1'-N19 112.641 4.441 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ' A' . . . . . 1.329 ' N7 ' " H4'" ' A' ' 56' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.194 0 C4'-C3'-C2' 99.632 -3.068 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ' A' . . . . . 0.973 ' N6 ' " H1'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.862 0 C5'-C4'-C3' 111.962 -2.359 . 0.305 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . 0.961 " H5'" " O2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.77 0 C5'-C4'-C3' 111.518 -2.655 . 0.458 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ' C' . . . . . 0.63 " H2'" ' C6 ' ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.952 0 O4'-C1'-N19 111.643 3.443 . 0.768 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . 0.63 ' C6 ' " H2'" ' A' ' 65' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.878 0 O4'-C1'-N19 111.498 3.298 . 0.631 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . 1.246 ' H8 ' " O5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C5'-C4'-C3' 111.225 -2.85 . 0.011 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . 0.547 " H4'" " C5'" ' A' ' 69' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 O4'-C1'-N19 111.476 3.276 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . 1.283 ' H5 ' ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.86 1 O4'-C1'-N19 112.222 4.022 . 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . 0.988 " H3'" " H2'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.11 0 C4'-C3'-C2' 100.639 -2.061 . 0.748 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . 1.262 ' H8 ' ' OP1' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.762 0 O4'-C1'-N19 111.234 3.034 . 0.01 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . 0.563 " H3'" " H4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.643 1 O4'-C1'-N19 112.88 4.68 . 0.561 6p . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . 1.222 ' H62' ' NH1' ' B' ' 43' ' ' ARG . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 O5'-C5'-C4' 114.947 3.391 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . 0.406 " O2'" " H5'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.108 0 O4'-C1'-N19 111.607 3.407 . 0.661 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . 0.411 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.055 0 C4'-C3'-C2' 100.19 -2.51 . 0.713 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . 0.411 " H5'" " O2'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 C4'-C3'-C2' 100.158 -2.542 . 0.667 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . 0.418 " O2'" " H5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.179 0 C4'-C3'-C2' 100.047 -2.653 . 0.586 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . 0.498 " H2'" ' C6 ' ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.034 0 O4'-C1'-N19 111.757 3.557 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . 0.498 ' C6 ' " H2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.752 0 O4'-C1'-N19 112.097 3.897 . 0.41 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 . . . . . 0 N--CA 1.471 0.6 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 25.8 m -152.83 149.51 28.38 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -171.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.977 ' NH2' ' O6 ' ' A' ' 67' ' ' ' G' . 24.3 mtp-105 -52.43 -40.2 61.91 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -177.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.874 ' HG2' ' C8 ' ' A' ' 47' ' ' ' G' . 4.2 mp0 -65.93 -53.12 43.35 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 178.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.02 -52.29 61.28 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -178.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.68 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 99.9 mtt180 -58.71 -49.72 76.55 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 1.283 ' NH2' ' H5 ' ' A' ' 69' ' ' ' C' . 18.9 tpp85 -56.04 -59.37 5.01 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -57.88 -40.58 80.58 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 122.796 0.438 . . . . 0.0 110.131 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -63.14 -52.21 63.4 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.68 ' HG3' ' O ' ' B' ' 38' ' ' ARG . 99.5 mtt180 -55.36 -39.77 70.47 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -178.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 1.222 ' NH1' ' H62' ' A' ' 73' ' ' ' A' . 39.7 ttm180 -55.78 -57.14 13.29 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -177.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 1.094 ' NH1' ' C6 ' ' A' ' 45' ' ' ' U' . 90.1 mtm180 -56.79 -46.15 81.71 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -176.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' TRP . . . . . 0.854 ' O ' ' HB3' ' B' ' 48' ' ' ARG . 0.0 OUTLIER -60.43 -60.26 4.1 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.707 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -55.34 -30.25 59.89 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.602 0.761 . . . . 0.0 110.568 -166.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.33 -36.86 69.2 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 170.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.854 ' HB3' ' O ' ' B' ' 45' ' ' TRP . 15.4 tpp180 -61.52 -57.02 13.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.828 175.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -54.54 -44.38 72.79 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.826 0.45 . . . . 0.0 109.96 -174.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -63.21 -56.64 14.97 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.09 -51.21 68.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.98 -54.83 40.06 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.11 -56.99 14.13 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.45 -57.29 12.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.449 -0.507 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . 0.528 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 C4'-C3'-C2' 99.961 -2.739 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . 0.528 " H5'" " O2'" ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 C4'-C3'-C2' 100.288 -2.412 . 0.593 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.481 ' C6 ' " H2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.928 0 O4'-C1'-N19 111.514 3.314 . 0.613 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.46 ' C6 ' " H2'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.873 1 O4'-C1'-N19 112.459 4.259 OUTLIER-EPSILON 0.552 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 0.507 " H2'" ' C8 ' ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.243 1 P-O3'-C3' 127.326 6.355 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . 1.476 " O2'" ' C8 ' ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.499 0 O4'-C1'-N19 112.157 3.957 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . 1.476 ' C8 ' " O2'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 O4'-C1'-N19 109.974 1.774 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . 1.329 ' N7 ' ' OE1' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.424 -2.4 0 O4'-C1'-N19 112.158 3.958 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . 1.061 ' H6 ' " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.306 1 O4'-C1'-N19 112.513 4.313 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . 0.719 " H2'" ' C6 ' ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 C4'-C3'-C2' 100.271 -2.429 . 0.44 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 0.719 ' C6 ' " H2'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.843 0 O4'-C1'-N19 111.866 3.666 . 0.451 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 C4'-C3'-C2' 100.333 -2.367 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 C4'-C3'-C2' 99.843 -2.857 . 0.626 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . 0.907 " O2'" " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 O4'-C1'-N19 111.845 3.645 . 0.602 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ' G' . . . . . 0.974 " H1'" ' N6 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.766 0 C4'-C3'-C2' 100.056 -2.644 . 0.638 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ' C' . . . . . 0.528 H5'' " H3'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.612 1 O4'-C1'-N19 113.375 5.175 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ' A' . . . . . 1.218 " O3'" ' C8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.301 0 C1'-O4'-C4' 106.199 -3.779 OUTLIER-DELTA 0.01 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ' A' . . . . . 1.218 ' C8 ' " O3'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 C5'-C4'-C3' 111.924 -2.384 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . 0.607 " O2'" " H5'" ' A' ' 65' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 C5'-C4'-C3' 111.888 -2.408 . 0.836 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ' C' . . . . . 0.607 " H5'" " O2'" ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.195 1 O4'-C1'-N19 112.506 4.306 . 0.628 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . 1.305 ' H5 ' ' NH1' ' B' ' 35' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 O4'-C1'-N19 110.964 2.764 . 0.585 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . 0.735 " H2'" ' C5 ' ' A' ' 69' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.019 0 C4'-C3'-C2' 100.156 -2.544 . 0.573 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . 0.452 ' C6 ' ' CH2' ' B' ' 45' ' ' TRP . . . . . . . . 0 O4'--C4' 1.42 -2.789 0 O4'-C1'-N19 111.94 3.74 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . 0.735 ' C5 ' " H2'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.003 1 O4'-C1'-N19 112.981 4.781 . 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . 1.317 ' N7 ' ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C5'-C4'-C3' 112.253 -2.164 . 0.547 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . 1.018 H5'' " H3'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 O4'-C1'-N19 112.044 3.844 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 1 O4'-C1'-N19 113.096 4.896 . 0.555 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . 0.444 ' C5 ' ' C5 ' ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 P-O3'-C3' 122.814 2.595 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . 0.456 " O2'" " H5'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 O4'-C1'-N19 112.136 3.936 . 0.606 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . 0.456 " H5'" " O2'" ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 C4'-C3'-C2' 100.278 -2.422 . 0.727 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . 0.412 ' C5 ' ' C6 ' ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 C5'-C4'-C3' 110.851 -3.099 . 0.65 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 0 C4'-C3'-C2' 100.278 -2.422 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . 0.435 " O2'" " H5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.112 0 O4'-C1'-N19 111.999 3.799 . 0.654 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . 0.435 " H5'" " O2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.856 0 O4'-C1'-N19 112.065 3.865 . 0.569 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 110.577 -0.157 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 68.4 p -83.66 174.73 10.26 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 1.305 ' NH1' ' H5 ' ' A' ' 66' ' ' ' U' . 45.0 mmm-85 -60.2 -29.26 68.61 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 176.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 1.329 ' OE1' ' N7 ' ' A' ' 48' ' ' ' G' . 15.8 mm-40 -71.35 -46.54 60.26 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.011 -175.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.677 ' O ' ' HG3' ' B' ' 41' ' ' ARG . . . -51.88 -53.94 34.88 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.239 0.616 . . . . 0.0 110.117 -175.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.732 ' O ' ' HG3' ' B' ' 42' ' ' ARG . 61.2 ttm-85 -56.88 -40.94 77.12 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 1.317 ' NH2' ' N7 ' ' A' ' 70' ' ' ' G' . 24.7 tpt180 -59.62 -44.83 93.31 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -177.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . 0.66 ' ND2' ' O ' ' B' ' 36' ' ' GLN . 9.6 m-80 -70.55 -42.41 71.18 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.677 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 82.1 mtp180 -55.32 -38.09 68.26 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.732 ' HG3' ' O ' ' B' ' 38' ' ' ARG . 93.2 mtt-85 -62.19 -42.89 99.7 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 0.724 HH12 ' CD ' ' B' ' 39' ' ' ARG . 61.0 mmt-85 -51.33 -35.18 36.88 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -178.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.742 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 0.9 OUTLIER -74.67 -56.62 4.6 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.198 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' TRP . . . . . 0.659 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 20.5 t90 -64.22 -48.87 74.2 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 122.758 0.423 . . . . 0.0 110.567 -176.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -56.86 -50.43 72.5 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -177.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.72 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 49.7 mt-10 -74.7 -28.16 60.69 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.742 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 15.0 tpp180 -55.53 -63.2 1.24 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -179.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -58.3 -29.74 66.09 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.72 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 15.8 tpp180 -58.77 -53.11 62.11 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.07 -52.42 65.59 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.98 -51.51 67.48 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.48 -52.58 63.16 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.02 -57.09 13.61 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.814 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 C4'-C3'-C2' 99.997 -2.703 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . 0.737 " C3'" ' C6 ' ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 C3'-C2'-C1' 103.361 2.068 . 0.633 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.737 ' C6 ' " C3'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.15 1 O4'-C1'-N19 112.547 4.347 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.653 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.192 0 O4'-C1'-N19 111.327 3.127 . 0.58 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 0.653 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.157 1 O4'-C1'-N19 112.264 4.064 . 0.651 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . 0.599 " O2'" ' C8 ' ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.595 1 O4'-C1'-N19 112.223 4.023 . 0.759 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . 0.83 " H2'" ' C8 ' ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.506 0 C5'-C4'-C3' 111.865 -2.423 . 0.038 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . 1.034 " O2'" H5'' ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.835 0 O4'-C1'-N19 110.548 2.348 . 0.308 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . 1.034 H5'' " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.951 0 O4'-C1'-N19 112.129 3.929 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . 0.734 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 C3'-C2'-C1' 103.516 2.24 . 0.588 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 0.439 ' C4 ' ' C6 ' ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 O4'-C1'-N19 111.805 3.605 . 0.859 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . 0.431 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 C4'-C3'-C2' 100.649 -2.051 . 0.686 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 C5'-C4'-C3' 110.196 -3.536 . 0.528 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.234 0 O4'-C1'-N19 111.257 3.057 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.062 0 C4'-C3'-C2' 99.361 -3.339 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ' C' . . . . . 1.115 " H2'" ' C8 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.41 -3.615 2 O4'-C1'-N19 113.504 5.304 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ' A' . . . . . 1.234 " O3'" ' H8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.705 0 N19-C1'-C2' 108.18 -3.263 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ' A' . . . . . 1.234 ' H8 ' " O3'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 P-O3'-C3' 123.622 3.268 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.904 0 C5'-C4'-C3' 110.749 -3.167 . 0.671 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.047 0 C5'-C4'-C3' 110.377 -3.415 . 0.708 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 O4'-C1'-N19 111.675 3.475 . 0.75 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . 0.853 ' H8 ' " O5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 O4'-C1'-N19 110.074 1.874 . 0.393 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . 0.771 ' N3 ' ' HB2' ' B' ' 46' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 O4'-C1'-N19 111.231 3.031 . 0.019 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . 0.679 " O2'" " H5'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.103 1 O4'-C1'-N19 112.729 4.529 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . 0.901 ' C6 ' ' C6 ' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.052 0 C4'-C3'-C2' 100.281 -2.419 . 0.568 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . 1.098 " H4'" " H5'" ' A' ' 72' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.53 0 O4'-C1'-N19 112.136 3.936 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . 1.098 " H5'" " H4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.656 1 O4'-C1'-N19 112.758 4.558 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.118 0 C5'-C4'-C3' 111.112 -2.925 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 O4'-C1'-N19 111.816 3.616 . 0.643 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . 0.718 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 C4'-C3'-C2' 99.911 -2.789 . 0.23 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . 0.718 " H5'" " O2'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 C4'-C3'-C2' 100.421 -2.279 . 0.444 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 C4'-C3'-C2' 100.608 -2.092 . 0.843 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . 0.411 " H2'" ' H6 ' ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 O4'-C1'-N19 112.057 3.857 . 0.323 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . 0.411 ' H6 ' " H2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.922 0 O4'-C1'-N19 112.018 3.818 . 0.43 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 . . . . . 0 N--CA 1.471 0.623 0 N-CA-C 110.625 -0.139 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.432 ' O ' ' N ' ' B' ' 38' ' ' ARG . 25.1 m -152.56 148.42 27.34 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -171.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 43.5 ttp85 -57.27 -40.45 77.75 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 -176.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.465 ' HB3' ' N7 ' ' A' ' 47' ' ' ' G' . 20.4 mp0 -59.09 -58.28 9.36 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 174.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.706 ' O ' ' HG2' ' B' ' 41' ' ' ARG . . . -55.01 -41.3 71.11 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' B' ' 42' ' ' ARG . 8.0 tpm_? -56.22 -51.11 69.28 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 -177.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.789 ' O ' ' HB2' ' B' ' 43' ' ' ARG . 31.5 ttm105 -70.17 -47.07 63.16 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -174.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . 0.854 ' O ' ' HB3' ' B' ' 43' ' ' ARG . 57.3 m-20 -54.78 -58.36 7.89 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.529 0.332 . . . . 0.0 110.414 -174.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.706 ' HG2' ' O ' ' B' ' 37' ' ' ALA . 40.2 ptt180 -70.2 -48.82 55.51 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -177.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.613 ' N ' ' HG3' ' B' ' 41' ' ' ARG . 57.7 ttp180 -55.86 -31.61 62.92 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 177.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 0.854 ' HB3' ' O ' ' B' ' 40' ' ' ASN . 72.1 ttt-85 -50.35 -39.91 47.75 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 123.564 0.745 . . . . 0.0 109.539 174.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 1.168 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 22.5 mmt180 -74.09 -26.98 60.67 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.103 -174.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' TRP . . . . . 0.675 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 11.4 t90 -71.07 -46.27 62.21 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 1.158 ' NH1' ' HG3' ' B' ' 50' ' ' ARG . 0.8 OUTLIER -57.08 -58.97 5.86 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -179.699 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.479 ' HA ' ' CB ' ' B' ' 50' ' ' ARG . 40.6 tt0 -71.12 -30.87 67.06 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 1.168 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 25.1 tpt180 -54.33 -73.69 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 178.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -62.24 -23.12 66.48 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 1.158 ' HG3' ' NH1' ' B' ' 46' ' ' ARG . 1.2 tmt_? -58.57 -58.55 8.04 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.9 -54.43 42.67 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.35 -51.91 66.51 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.37 -53.9 50.36 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.7 -48.92 74.3 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.381 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . 0.566 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 C4'-C3'-C2' 99.957 -2.743 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . 0.621 " H2'" ' C6 ' ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.677 1 C4'-C3'-C2' 98.573 -4.127 OUTLIER-EPSILON 0.418 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.621 ' C6 ' " H2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.034 1 P-O3'-C3' 126.939 6.033 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.488 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.087 0 O4'-C1'-N19 111.623 3.423 . 0.486 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 0.799 " O2'" " H5'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 O4'-C1'-N19 111.141 2.941 . 0.652 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . 1.151 " O2'" ' ND2' ' B' ' 40' ' ' ASN . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 O4'-C1'-N19 112.198 3.998 . 0.575 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . 1.377 " C2'" H5'' ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 O3'-P-O5' 97.035 -3.666 . 0.316 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . 1.435 " H5'" ' C8 ' ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.946 2 C5'-C4'-C3' 108.719 -4.52 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . 1.028 " H5'" " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.196 1 O4'-C1'-N19 112.823 4.623 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . 1.004 " C3'" ' C6 ' ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.835 0 C3'-C2'-C1' 103.766 2.518 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 1.004 ' C6 ' " C3'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.182 1 O4'-C1'-N19 112.612 4.412 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . 0.445 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.014 0 C4'-C3'-C2' 100.259 -2.441 . 0.595 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 C4'-C3'-C2' 100.19 -2.51 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 O4'-C1'-N19 111.237 3.037 . 0.56 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ' G' . . . . . 0.797 " O2'" H5'' ' A' ' 56' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.063 0 C4'-C3'-C2' 99.628 -3.072 . 0.67 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ' C' . . . . . 1.519 " H2'" ' C8 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.961 1 O4'-C1'-N19 113.798 5.598 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ' A' . . . . . 1.519 ' C8 ' " H2'" ' A' ' 56' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C5'-C4'-C3' 110.77 -3.153 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ' A' . . . . . 0.898 ' C8 ' " H2'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C5'-C4'-C3' 112.184 -2.21 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . 0.583 " O4'" " H2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.263 0 C5'-C4'-C3' 111.37 -2.753 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.005 0 O4'-C1'-N19 111.894 3.694 . 0.442 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 0 O4'-C1'-N19 111.405 3.205 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . 1.161 ' H8 ' " O5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 O4'-C1'-N19 110.702 2.502 . 0.095 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . 0.829 " H3'" " H5'" ' A' ' 69' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 O4'-C1'-N19 110.708 2.508 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . 0.864 ' C5 ' " H2'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.106 1 O4'-C1'-N19 112.744 4.544 . 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . 0.97 ' N7 ' ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.903 0 C4'-C3'-C2' 99.801 -2.899 . 0.507 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . 0.954 " O2'" ' C8 ' ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 O4'-C1'-N19 111.672 3.472 . 0.01 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . 0.921 " H5'" " H4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.747 1 O4'-C1'-N19 112.848 4.648 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . 1.325 ' C8 ' ' NH2' ' B' ' 43' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 C4'-C3'-C2' 100.16 -2.54 . 0.0 OUTLIER '7D dist 0a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.025 0 O4'-C1'-N19 111.9 3.7 . 0.517 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.192 0 C4'-C3'-C2' 100.176 -2.524 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 C4'-C3'-C2' 99.708 -2.992 . 0.575 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . 1.238 ' H8 ' ' OP2' ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.259 0 O5'-C5'-C4' 115.381 3.7 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . 0.566 " O2'" " H5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 O4'-C1'-N19 111.599 3.399 . 0.613 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . 0.566 " H5'" " O2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 O4'-C1'-N19 112.199 3.999 . 0.456 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.832 ' OD1' ' NH2' ' B' ' 41' ' ' ARG . 13.2 t70 . . . . . 0 N--CA 1.471 0.583 0 CA-C-O 120.769 0.318 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 67.0 p -84.01 175.03 9.82 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -177.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.775 ' NH2' ' N7 ' ' A' ' 67' ' ' ' G' . 23.6 mtp-105 -54.72 -32.22 59.34 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 178.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -67.13 -52.71 38.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.62 -46.66 49.61 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.22 0.608 . . . . 0.0 110.085 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' B' ' 42' ' ' ARG . 99.2 mtt180 -57.95 -51.85 67.92 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 177.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.97 ' NH2' ' N7 ' ' A' ' 70' ' ' ' G' . 58.4 ttt85 -64.28 -44.5 91.5 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -176.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . 1.151 ' ND2' " O2'" ' A' ' 46' ' ' ' G' . 73.9 m-20 -54.48 -42.73 71.03 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.928 ' O ' ' HB3' ' B' ' 44' ' ' ARG . 89.7 mtm180 -74.97 -36.59 62.05 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 174.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.68 ' NH1' ' C5 ' ' A' ' 68' ' ' ' A' . 15.1 tpp180 -58.09 -58.72 7.19 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 1.325 ' NH2' ' C8 ' ' A' ' 73' ' ' ' A' . 71.1 mtp180 -52.04 -30.19 24.5 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 172.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 1.017 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 16.9 tpp180 -62.04 -47.76 83.28 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.859 -175.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' TRP . . . . . 0.407 ' O ' ' CB ' ' B' ' 49' ' ' GLN . 81.3 t90 -57.79 -43.21 85.44 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -178.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -67.16 -62.61 1.34 Allowed 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 -176.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.684 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 50.7 mt-10 -55.0 -43.94 74.05 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 1.017 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 0.7 OUTLIER -60.68 -56.6 19.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -179.693 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.407 ' CB ' ' O ' ' B' ' 45' ' ' TRP . 11.7 tp-100 -59.07 -27.05 65.16 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.684 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 16.0 tpp180 -58.61 -50.07 75.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -178.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.12 -54.05 49.73 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.06 -51.25 68.5 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.54 -55.65 29.46 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.87 -56.5 19.91 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -179.661 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . 0.749 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.211 0 C4'-C3'-C2' 100.066 -2.634 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . 0.749 " H5'" " O2'" ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.06 0 C4'-C3'-C2' 100.283 -2.417 . 0.459 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.597 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 O4'-C1'-N19 110.988 2.788 . 0.614 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.507 " H2'" ' C6 ' ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.118 0 O4'-C1'-N19 111.086 2.886 . 0.584 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 0.507 ' C6 ' " H2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.843 0 O4'-C1'-N19 111.215 3.015 . 0.613 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . 0.499 ' C8 ' " H2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.304 1 O4'-C1'-N19 113.684 5.484 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . 1.58 ' H8 ' ' P ' ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 N19-C1'-C2' 109.513 -2.429 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . 1.359 ' C8 ' " H2'" ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.085 2 C1'-O4'-C4' 105.194 -4.896 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . 1.333 ' C6 ' " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.276 1 O4'-C1'-N19 112.814 4.614 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . 0.451 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C4'-C3'-C2' 100.416 -2.284 . 0.586 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 0.569 " O2'" " H5'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.23 1 O4'-C1'-N19 112.341 4.141 . 0.676 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . 0.569 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 C4'-C3'-C2' 100.425 -2.275 . 0.611 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C5'-C4'-C3' 109.677 -3.882 . 0.314 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . 0.565 " O2'" " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 111.833 3.633 . 0.685 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ' G' . . . . . 1.192 " O2'" ' N6 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 C4'-C3'-C2' 100.088 -2.612 . 0.595 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.784 1 O4'-C1'-N19 113.396 5.196 . 0.0 OUTLIER '7D dist 1o' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ' A' . . . . . 1.192 ' N6 ' " O2'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 C5'-C4'-C3' 112.431 -2.046 . 0.056 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ' A' . . . . . 0.925 ' C8 ' " H2'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.703 0 C5'-C4'-C3' 112.217 -2.189 . 0.252 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . 0.637 " O4'" " H2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 O4'-C1'-N19 110.953 2.753 . 0.392 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.952 1 O4'-C1'-N19 112.956 4.756 . 0.156 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.869 0 O4'-C1'-N19 111.432 3.232 . 0.729 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . 0.518 ' N7 ' ' NH2' ' B' ' 35' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 C3'-C2'-C1' 103.614 2.349 . 0.607 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.767 0 O4'-C1'-N19 111.893 3.693 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . 0.764 " O2'" " H5'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.121 1 O4'-C1'-N19 112.664 4.464 . 0.013 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . 0.764 " H5'" " O2'" ' A' ' 69' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.896 0 C3'-C2'-C1' 104.284 3.094 . 0.601 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . 1.139 " O2'" ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.71 1 P-O3'-C3' 124.983 4.403 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . 0.977 " C5'" " H4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.674 1 O4'-C1'-N19 112.764 4.564 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 C5'-C4'-C3' 111.016 -2.989 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 O4'-C1'-N19 111.633 3.433 . 0.604 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . 0.547 ' C2 ' ' C5 ' ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 C4'-C3'-C2' 99.792 -2.908 . 0.186 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . 0.547 ' C5 ' ' C2 ' ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 C4'-C3'-C2' 100.432 -2.268 . 0.435 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . 0.448 " H5'" " O2'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 C4'-C3'-C2' 100.166 -2.534 . 0.56 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . 0.544 " H2'" ' C6 ' ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 O4'-C1'-N19 111.903 3.703 . 0.607 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . 0.544 ' C6 ' " H2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.704 1 O4'-C1'-N19 112.203 4.003 . 0.455 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 . . . . . 0 N--CA 1.471 0.595 0 N-CA-C 110.589 -0.152 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 52.9 p -83.81 171.41 13.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.518 ' NH2' ' N7 ' ' A' ' 67' ' ' ' G' . 25.9 mtp-105 -60.29 -33.88 72.97 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.652 ' HG2' ' C8 ' ' A' ' 48' ' ' ' G' . 4.1 mp0 -65.34 -50.84 64.09 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 1.033 ' O ' ' HB2' ' B' ' 41' ' ' ARG . . . -55.66 -40.73 72.64 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.819 ' O ' ' HG2' ' B' ' 42' ' ' ARG . 84.4 mtp180 -70.12 -44.75 68.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 176.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 1.139 ' NH2' " O2'" ' A' ' 71' ' ' ' G' . 24.4 tpt180 -58.68 -62.92 1.5 Allowed 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . 1.29 ' ND2' ' O6 ' ' A' ' 47' ' ' ' G' . 48.1 m-20 -53.21 -36.79 61.38 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 173.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 1.033 ' HB2' ' O ' ' B' ' 37' ' ' ALA . 69.7 ttt-85 -57.02 -50.34 73.01 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 1.293 ' CB ' ' NH2' ' B' ' 46' ' ' ARG . 31.9 mmt180 -67.25 -36.02 80.75 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 0.678 ' HB3' ' O ' ' B' ' 40' ' ' ASN . 4.2 tpm_? -48.58 -46.42 39.25 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.383 1.073 . . . . 0.0 109.924 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 94.3 mtt-85 -73.91 -44.01 56.57 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.312 -173.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -63.08 -34.32 77.34 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 122.719 0.408 . . . . 0.0 110.186 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 1.293 ' NH2' ' CB ' ' B' ' 42' ' ' ARG . 4.1 tpp180 -55.81 -64.42 0.86 Allowed 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -59.62 -43.17 93.9 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.83 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 1.6 tmm_? -54.37 -54.01 46.33 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 -177.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -55.07 -43.54 73.96 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 122.77 0.428 . . . . 0.0 110.115 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' B' ' 46' ' ' ARG . 30.1 mmt180 -58.9 -56.41 22.58 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -177.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' B' ' 55' ' ' ARG . . . -55.6 -47.42 76.53 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -177.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.16 -54.92 22.33 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.36 -51.74 65.79 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.81 -57.58 11.43 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' B' ' 51' ' ' ALA . 77.2 mtp180 . . . . . 0 N--CA 1.45 -0.458 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . 0.815 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 C4'-C3'-C2' 99.996 -2.704 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . 0.815 " H5'" " O2'" ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 C4'-C3'-C2' 100.194 -2.506 . 0.459 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.647 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 O4'-C1'-N19 111.002 2.802 . 0.612 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.559 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.179 0 O4'-C1'-N19 111.384 3.184 . 0.563 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 1.04 " O2'" " H5'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.256 1 O4'-C1'-N19 112.249 4.049 . 0.688 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . 1.04 " H5'" " O2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C5'-C4'-C3' 111.967 -2.355 . 0.36 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . 1.052 ' O6 ' ' N1 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.196 0 C4'-C3'-C2' 99.852 -2.848 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . 1.061 ' N7 ' ' NE2' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C5'-C4'-C3' 110.565 -3.29 . 0.733 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . 0.969 ' H6 ' " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.251 1 O4'-C1'-N19 112.546 4.346 . 0.018 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . 0.795 " H2'" ' C6 ' ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.007 0 O4'-C1'-N19 110.444 2.244 . 0.427 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 0.795 ' C6 ' " H2'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 O4'-C1'-N19 112.075 3.875 . 0.039 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . 1.398 ' OP2' ' C8 ' ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 O5'-C5'-C4' 115.351 3.68 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ' G' . . . . . 0.415 ' C5 ' ' C5 ' ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 C4'-C3'-C2' 100.121 -2.579 . 0.633 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . 0.415 ' C5 ' ' C5 ' ' A' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.236 0 O4'-C1'-N19 111.751 3.551 . 0.623 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ' G' . . . . . 0.683 " C2'" " H5'" ' A' ' 56' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 C4'-C3'-C2' 100.069 -2.631 . 0.709 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ' C' . . . . . 0.683 " H5'" " C2'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.693 1 O4'-C1'-N19 112.947 4.747 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ' A' . . . . . 1.046 " C3'" ' C8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.911 0 C3'-C2'-C1' 104.29 3.1 . 0.507 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ' A' . . . . . 1.046 ' C8 ' " C3'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.862 0 C5'-C4'-C3' 111.866 -2.423 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.431 0 C1'-O4'-C4' 107.384 -2.462 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ' C' . . . . . 0.822 " H2'" ' C6 ' ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.869 0 O4'-C1'-N19 112.03 3.83 . 0.394 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . 1.144 " O2'" " H5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 O4'-C1'-N19 111.743 3.543 . 0.512 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . 1.144 " H5'" " O2'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C5'-C4'-C3' 111.129 -2.914 OUTLIER-DELTA 0.197 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . 1.493 ' C2 ' ' HG2' ' B' ' 46' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 C5'-C4'-C3' 109.575 -3.95 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . 0.613 " O2'" " H5'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.267 1 O4'-C1'-N19 112.967 4.767 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . 1.06 " H3'" H5'' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 C4'-C3'-C2' 100.295 -2.405 . 0.53 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . 1.06 H5'' " H3'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 O4'-C1'-N19 112.13 3.93 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . 0.748 ' OP2' ' HG3' ' B' ' 43' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.694 1 O4'-C1'-N19 112.6 4.4 . 0.56 6p . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . 1.052 ' N1 ' ' O6 ' ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.425 0 C1'-O4'-C4' 106.726 -3.193 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . 0.458 ' C5 ' ' C5 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.718 0 O4'-C1'-N19 111.99 3.79 . 0.385 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . 0.554 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 C4'-C3'-C2' 100.234 -2.466 . 0.702 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . 0.554 " H5'" " O2'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.217 0 C4'-C3'-C2' 100.107 -2.593 . 0.62 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . 0.521 ' N7 ' ' C6 ' ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.902 0 C5'-C4'-C3' 110.875 -3.084 . 0.315 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . 0.654 ' H6 ' " O5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 O4'-C1'-N19 112.198 3.998 . 0.493 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . 0.65 ' H6 ' " O5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.745 1 O4'-C1'-N19 112.388 4.188 . 0.492 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 . . . . . 0 N--CA 1.471 0.607 0 CA-C-O 120.555 0.217 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 33.2 m -153.88 148.87 26.72 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -171.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.871 ' NH2' ' O6 ' ' A' ' 67' ' ' ' G' . 72.0 ttt-85 -49.76 -25.46 3.04 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.46 0.704 . . . . 0.0 109.937 -175.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 1.061 ' NE2' ' N7 ' ' A' ' 48' ' ' ' G' . 29.3 mm100 -71.33 -57.82 4.1 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.02 -45.29 61.19 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.34 0.656 . . . . 0.0 110.674 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -55.81 -63.06 1.3 Allowed 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -44.04 64.72 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.928 0.491 . . . . 0.0 109.893 -177.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . 0.402 ' O ' ' HB2' ' B' ' 44' ' ' ARG . 66.9 m-20 -61.76 -41.68 98.0 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -178.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -75.07 -52.97 9.71 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -53.84 -48.94 69.46 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 0.748 ' HG3' ' OP2' ' A' ' 72' ' ' ' U' . 57.4 ttp180 -58.64 -58.01 10.46 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.932 ' NH2' ' C5 ' ' A' ' 45' ' ' ' U' . 61.9 ttm-85 -55.57 -43.56 76.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.861 -177.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 28.5 t90 -58.31 -48.41 80.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -175.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 1.493 ' HG2' ' C2 ' ' A' ' 68' ' ' ' A' . 88.7 mtm180 -58.59 -56.25 24.62 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 -177.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.468 ' HA ' ' CB ' ' B' ' 50' ' ' ARG . 12.2 mm-40 -56.23 -38.63 71.33 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -178.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 1.4 tmm_? -59.92 -52.25 66.22 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -65.96 -33.84 76.74 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' B' ' 46' ' ' ARG . 1.2 tmt_? -58.38 -57.6 12.21 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.96 -53.36 56.64 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.61 -46.64 80.8 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.51 -3.54 15.09 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 119.604 -0.236 . . . . 0.0 110.936 -175.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -164.14 57.15 0.15 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.427 0 CA-C-O 118.765 -0.636 . . . . 0.0 110.416 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.062 0 C5'-C4'-C3' 111.212 -2.859 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . 0.469 " O2'" " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C5'-C4'-C3' 111.372 -2.752 . 0.79 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.704 ' OP1' ' NH2' ' B' ' 48' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -3.017 0 O4'-C1'-N19 111.523 3.323 . 0.668 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 0 O4'-C1'-N19 111.462 3.262 . 0.608 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 0.703 " O2'" " H5'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.244 0 O4'-C1'-N19 110.875 2.675 . 0.688 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . 1.298 " O2'" ' ND2' ' B' ' 40' ' ' ASN . . . . . . . . 0 O4'--C4' 1.421 -2.641 1 O4'-C1'-N19 112.382 4.182 . 0.588 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . 0.722 ' H8 ' " O5'" ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 P-O3'-C3' 123.251 2.959 . 0.376 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . 0.852 ' N7 ' ' OE1' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.419 -2.842 0 O4'-C1'-N19 110.464 2.264 . 0.725 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . 0.693 H5'' " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.853 1 O4'-C1'-N19 112.262 4.062 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . 0.783 ' H8 ' " O5'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C5'-C4'-C3' 112.197 -2.202 . 0.339 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 1.269 ' C6 ' ' OP2' ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.243 0 O4'-C1'-N19 112.167 3.967 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . 0.703 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 C4'-C3'-C2' 100.162 -2.538 . 0.485 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.753 0 C5'-C4'-C3' 111.188 -2.875 . 0.753 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.288 0 O4'-C1'-N19 111.916 3.716 . 0.391 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ' G' . . . . . 0.599 " H2'" ' OP2' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.055 0 C4'-C3'-C2' 99.438 -3.262 . 0.654 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ' C' . . . . . 0.635 " H2'" ' C8 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.41 -3.577 1 O4'-C1'-N19 113.34 5.14 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ' A' . . . . . 0.748 ' H8 ' " O5'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 O4'-C1'-N19 110.862 2.662 . 0.113 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ' A' . . . . . 0.73 ' H8 ' " O5'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.899 0 C5'-C4'-C3' 112.099 -2.268 . 0.151 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . 0.453 ' H8 ' H5'' ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C5'-C4'-C3' 110.974 -3.017 . 0.703 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ' C' . . . . . 0.643 " O2'" " H5'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.131 0 O4'-C1'-N19 111.949 3.749 . 0.661 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . 0.766 " O2'" " H5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.209 0 O4'-C1'-N19 110.838 2.638 . 0.636 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . 0.766 " H5'" " O2'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.255 0 C3'-C2'-C1' 103.599 2.332 . 0.531 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . 0.542 ' OP2' " H5'" ' A' ' 69' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 O4'-C1'-N19 111.534 3.334 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . 0.876 ' N4 ' HH12 ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.905 0 O4'-C1'-N19 112.135 3.935 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . 0.966 ' N7 ' ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 C4'-C3'-C2' 100.49 -2.21 . 0.642 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . 0.858 ' C4 ' " H1'" ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 O4'-C1'-N19 111.65 3.45 . 0.016 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 1 O4'-C1'-N19 112.674 4.474 . 0.691 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . 0.858 " H1'" ' C4 ' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.832 0 C5'-C4'-C3' 110.994 -3.004 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . 0.459 ' C6 ' ' C4 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.798 1 P-O3'-C3' 124.695 4.162 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . 0.693 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 C4'-C3'-C2' 100.3 -2.4 . 0.735 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . 1.09 ' C6 ' ' N7 ' ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C4'-C3'-C2' 100.297 -2.403 . 0.574 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . 1.09 ' N7 ' ' C6 ' ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.923 0 C5'-C4'-C3' 110.733 -3.178 . 0.163 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . 0.671 ' H6 ' " O5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.702 1 O4'-C1'-N19 112.279 4.079 . 0.502 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . 0.651 ' H6 ' " O5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.715 1 O4'-C1'-N19 112.341 4.141 . 0.476 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.471 0.585 0 CA-C-O 120.503 0.192 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 87.4 m -156.02 152.88 28.64 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -171.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.651 ' NH1' ' H5 ' ' A' ' 66' ' ' ' U' . 20.1 tpp85 -51.61 -49.98 61.12 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 -178.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.852 ' OE1' ' N7 ' ' A' ' 48' ' ' ' G' . 33.6 mm-40 -59.29 -56.04 27.2 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' B' ' 41' ' ' ARG . . . -53.74 -48.34 69.75 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -178.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 -60.36 -53.21 60.37 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.966 ' NH2' ' N7 ' ' A' ' 70' ' ' ' G' . 12.2 tpt180 -57.04 -52.78 63.92 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . 1.298 ' ND2' " O2'" ' A' ' 46' ' ' ' G' . 64.8 m-20 -62.83 -50.89 69.18 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.472 ' CB ' ' O ' ' B' ' 37' ' ' ALA . 35.6 ttm180 -59.24 -48.55 81.2 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.591 ' O ' ' HB2' ' B' ' 46' ' ' ARG . 70.0 ttp85 -53.67 -27.98 30.78 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 0.99 ' CG ' HH21 ' B' ' 44' ' ' ARG . 2.3 tpp180 -56.87 -45.58 82.39 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.99 HH21 ' CG ' ' B' ' 43' ' ' ARG . 5.9 mmp_? -59.8 -61.41 2.63 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' TRP . . . . . 0.442 ' CH2' ' C6 ' ' A' ' 68' ' ' ' A' . 34.7 t90 -57.88 -49.26 77.31 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.131 -177.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.673 HH12 ' CG ' ' B' ' 50' ' ' ARG . 0.2 OUTLIER -59.53 -54.79 42.44 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -176.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -66.49 -32.17 73.37 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.704 ' NH2' ' OP1' ' A' ' 43' ' ' ' U' . 14.5 tpp180 -55.25 -65.73 0.54 Allowed 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -176.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -58.77 -28.22 65.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.673 ' CG ' HH12 ' B' ' 46' ' ' ARG . 0.4 OUTLIER -58.89 -53.72 55.23 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.645 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.04 -45.38 90.91 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.67 ' O ' ' HB3' ' B' ' 55' ' ' ARG . . . -56.5 -44.95 81.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 -175.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.07 -50.89 68.01 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -176.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.06 -40.4 73.49 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.67 ' HB3' ' O ' ' B' ' 52' ' ' ALA . 22.2 tpt180 . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 0 C4'-C3'-C2' 100.12 -2.58 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . 0.477 " O2'" " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -3.009 0 C5'-C4'-C3' 112.022 -2.319 . 0.913 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.477 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.005 0 O4'-C1'-N19 110.887 2.687 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.416 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -3.022 0 O4'-C1'-N19 111.415 3.215 . 0.57 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 1.217 " O2'" " H5'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.408 0 O4'-C1'-N19 111.136 2.936 . 0.663 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . 1.217 " H5'" " O2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.542 0 O4'-C1'-N19 110.944 2.744 . 0.355 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . 1.131 ' N7 ' ' HG3' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 C4'-C3'-C2' 100.447 -2.253 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . 0.924 " H5'" " O2'" ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 C5'-C4'-C3' 111.048 -2.968 . 0.468 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . 0.641 ' H6 ' HO2' ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.281 1 O4'-C1'-N19 112.529 4.329 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . 0.548 ' C8 ' " H2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.714 1 C4'-C3'-C2' 98.638 -4.062 OUTLIER-EPSILON 0.514 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 0.543 " H2'" ' C8 ' ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.054 1 P-O3'-C3' 127.178 6.232 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . 0.543 ' C8 ' " H2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.815 0 C5'-C4'-C3' 112.247 -2.169 . 0.519 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ' G' . . . . . 0.471 " H5'" " O2'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.952 0 C4'-C3'-C2' 100.329 -2.371 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . 1.065 " O2'" " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 O4'-C1'-N19 112.153 3.953 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ' G' . . . . . 1.065 " H5'" " O2'" ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.411 -3.485 0 C4'-C3'-C2' 99.55 -3.15 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.756 1 O4'-C1'-N19 113.077 4.877 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ' A' . . . . . 0.686 " H2'" ' C8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 C3'-C2'-C1' 104.731 3.59 . 0.139 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ' A' . . . . . 1.277 " O2'" " H5'" ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.926 0 C5'-C4'-C3' 111.003 -2.998 . 0.12 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . 1.277 " H5'" " O2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.99 0 P-O3'-C3' 122.808 2.59 . 0.32 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.082 0 O4'-C1'-N19 111.86 3.66 . 0.862 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . 0.905 " O2'" " H5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.897 0 O4'-C1'-N19 111.696 3.496 . 0.74 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . 0.905 " H5'" " O2'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 O4'-C1'-N19 111.938 3.738 OUTLIER-DELTA 0.128 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . 0.447 ' C6 ' ' CH2' ' B' ' 45' ' ' TRP . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 O4'-C1'-N19 112.095 3.895 . 0.091 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . 0.851 ' H5 ' ' NH1' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.647 2 O4'-C1'-N19 113.567 5.367 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . 1.536 ' C6 ' ' C6 ' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.034 1 P-O3'-C3' 127.041 6.118 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . 1.536 ' C6 ' ' C6 ' ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 O4'-C1'-N19 110.916 2.716 . 0.258 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . 0.616 H5'' " H4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.694 1 O4'-C1'-N19 112.758 4.558 . 0.457 6p . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . 0.774 ' C8 ' " O4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.255 0 C4'-C3'-C2' 99.936 -2.764 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . 0.885 ' N4 ' HH22 ' B' ' 43' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -3.015 0 O4'-C1'-N19 111.465 3.265 . 0.567 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . 0.545 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 C4'-C3'-C2' 100.28 -2.42 . 0.664 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . 0.545 " H5'" " O2'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C4'-C3'-C2' 100.288 -2.412 . 0.521 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 C5'-C4'-C3' 110.834 -3.111 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . 0.634 ' H6 ' " O5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 O4'-C1'-N19 112.068 3.868 . 0.561 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.003 0 O4'-C1'-N19 111.863 3.663 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 . . . . . 0 N--CA 1.47 0.567 0 CA-C-O 120.556 0.217 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.53 ' O ' ' N ' ' B' ' 38' ' ' ARG . 53.4 m -153.44 152.62 31.22 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -172.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 23.9 mtp-105 -47.38 -53.72 13.09 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 123.865 0.866 . . . . 0.0 109.335 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 1.131 ' HG3' ' N7 ' ' A' ' 47' ' ' ' G' . 7.4 tp-100 -56.36 -53.97 51.01 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.302 -179.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.554 ' HA ' " H2'" ' A' ' 46' ' ' ' G' . . . -60.05 -43.3 95.48 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 176.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' B' ' 34' ' ' THR . 7.3 tpm_? -55.99 -57.93 10.05 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.851 ' NH1' ' H5 ' ' A' ' 69' ' ' ' C' . 74.0 mtp85 -57.75 -51.25 70.34 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -176.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . 0.914 ' ND2' ' N7 ' ' A' ' 47' ' ' ' G' . 67.2 m-20 -57.17 -45.91 83.24 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -64.26 -41.11 97.1 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -66.87 -35.66 80.53 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -174.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 0.885 HH22 ' N4 ' ' A' ' 74' ' ' ' C' . 7.2 tmm_? -64.39 -17.95 64.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -176.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.881 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 29.1 mmt180 -72.0 -59.1 2.92 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 172.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' TRP . . . . . 0.462 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 43.2 t90 -58.24 -36.99 74.02 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 174.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.921 ' NH2' ' OP2' ' A' ' 70' ' ' ' G' . 78.2 ttt180 -55.58 -79.68 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.771 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 4.5 tm-20 -53.95 -36.76 63.17 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -178.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.881 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 24.2 tpt180 -48.56 -61.12 2.18 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.955 0.902 . . . . 0.0 110.132 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -74.14 -14.67 61.0 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.771 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 16.6 tpp180 -58.88 -40.65 85.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 174.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.3 -44.01 76.4 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.59 -52.19 65.75 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.48 -52.29 65.99 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.69 -54.88 38.84 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 61.7 ttm-85 . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.323 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . 0.771 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.108 0 C4'-C3'-C2' 100.206 -2.494 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . 0.771 " H5'" " O2'" ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 C4'-C3'-C2' 100.192 -2.508 . 0.462 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.615 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.059 0 O4'-C1'-N19 111.236 3.036 . 0.599 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 O4'-C1'-N19 111.473 3.273 . 0.544 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 0.941 " O2'" " H5'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 O4'-C1'-N19 111.114 2.914 . 0.564 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . 0.941 " H5'" " O2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 O4'-C1'-N19 110.38 2.18 . 0.512 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . 1.038 ' C8 ' ' HB3' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.414 -3.238 0 C4'-C3'-C2' 100.266 -2.434 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . 0.782 " O2'" " H5'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 C3'-C2'-C1' 104.127 2.918 . 0.528 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . 0.877 ' H42' ' NH1' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.172 1 O4'-C1'-N19 112.413 4.213 . 0.542 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 C5'-C4'-C3' 112.172 -2.219 . 0.771 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 0.721 " O2'" " H5'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 O4'-C1'-N19 111.837 3.637 . 0.354 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . 0.721 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.06 0 C4'-C3'-C2' 100.315 -2.385 . 0.64 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ' G' . . . . . 0.446 " H5'" " O2'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 C4'-C3'-C2' 99.937 -2.763 . 0.623 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . 0.581 " O2'" " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.339 0 O4'-C1'-N19 110.881 2.681 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ' G' . . . . . 0.903 " H2'" ' OP2' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C5'-C4'-C3' 111.905 -2.397 . 0.466 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ' C' . . . . . 1.102 " O2'" " H5'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.139 1 O4'-C1'-N19 113.702 5.502 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ' A' . . . . . 1.102 " H5'" " O2'" ' A' ' 56' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 O4'-C1'-N19 111.559 3.359 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ' A' . . . . . 0.69 " H5'" " O2'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.783 0 C5'-C4'-C3' 112.417 -2.055 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . 0.652 " H5'" " O2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.703 0 C5'-C4'-C3' 112.091 -2.273 . 0.559 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ' C' . . . . . 0.542 " H5'" " O2'" ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 O4'-C1'-N19 110.912 2.712 . 0.594 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . 0.873 ' OP2' ' HD3' ' B' ' 35' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -3.044 0 O4'-C1'-N19 110.98 2.78 . 0.518 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . 1.398 " H2'" ' C5 ' ' A' ' 69' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.823 -2.877 . 0.559 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 O4'-C1'-N19 112.122 3.922 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . 1.398 ' C5 ' " H2'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.145 1 O4'-C1'-N19 112.401 4.201 . 0.01 0k . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . 0.996 ' H8 ' ' OP2' ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 O5'-C5'-C4' 114.863 3.331 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . 0.762 " H1'" ' C8 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.479 0 O4'-C1'-N19 112.136 3.936 . 0.0 OUTLIER '7D dist 1z' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.742 1 O4'-C1'-N19 112.774 4.574 . 0.638 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . 0.762 ' C8 ' " H1'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.951 0 C5'-C4'-C3' 111.526 -2.649 . 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 O4'-C1'-N19 111.256 3.056 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . 0.604 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.779 0 C4'-C3'-C2' 99.823 -2.877 . 0.672 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . 1.123 ' H8 ' ' OP2' ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.292 0 O5'-C5'-C4' 115.224 3.588 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . 0.43 " O2'" " H5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C4'-C3'-C2' 99.952 -2.748 . 0.524 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . 0.573 " O2'" " H5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 O4'-C1'-N19 111.796 3.596 . 0.558 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . 0.573 " H5'" " O2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.891 0 O4'-C1'-N19 112.177 3.977 . 0.435 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 110.672 -0.122 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.528 ' O ' ' N ' ' B' ' 38' ' ' ARG . 16.2 m -152.55 148.07 26.94 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -172.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.873 ' HD3' ' OP2' ' A' ' 66' ' ' ' U' . 90.8 mtm-85 -53.48 -30.74 42.55 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -176.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 1.038 ' HB3' ' C8 ' ' A' ' 47' ' ' ' G' . 66.4 mm-40 -62.79 -64.3 0.96 Allowed 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 173.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.552 ' HB2' " H3'" ' A' ' 46' ' ' ' G' . . . -58.58 -10.74 2.4 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 173.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.834 ' CD ' HH21 ' B' ' 41' ' ' ARG . 11.2 tpt180 -75.39 -52.89 9.7 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -175.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 1.298 ' O ' ' HB2' ' B' ' 43' ' ' ARG . 99.7 mtt180 -61.44 -38.21 86.35 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . 0.473 ' OD1' ' O6 ' ' A' ' 47' ' ' ' G' . 56.2 m-20 -63.11 -56.28 18.17 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.446 -173.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.834 HH21 ' CD ' ' B' ' 38' ' ' ARG . 36.5 ptt180 -65.09 -54.27 32.65 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 1.094 ' NH2' ' OP1' ' A' ' 67' ' ' ' G' . 66.9 mtm180 -67.32 -27.81 67.46 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 1.298 ' HB2' ' O ' ' B' ' 39' ' ' ARG . 2.9 tmm_? -56.5 -53.0 62.62 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.818 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 94.3 mtt-85 -55.54 -60.98 2.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' TRP . . . . . 0.459 ' O ' ' CB ' ' B' ' 49' ' ' GLN . 34.1 t90 -57.64 -33.25 68.08 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.813 ' HB3' ' O ' ' B' ' 43' ' ' ARG . 78.9 ttt180 -55.73 -73.97 0.05 Allowed 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 123.437 0.695 . . . . 0.0 109.789 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.978 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 3.9 tm-20 -58.59 -45.43 89.11 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 123.078 0.551 . . . . 0.0 109.556 176.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.818 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 0.5 OUTLIER -55.47 -58.33 8.21 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.046 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.459 ' CB ' ' O ' ' B' ' 45' ' ' TRP . 11.6 tp-100 -57.31 -29.25 63.76 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 176.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.978 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 73.4 ttt-85 -58.77 -55.41 35.49 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.724 177.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.68 -48.91 74.29 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.413 ' HB2' ' NH1' ' B' ' 48' ' ' ARG . . . -55.95 -53.08 61.25 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -178.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.15 -55.96 26.68 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.94 -57.68 11.74 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 -179.893 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 C4'-C3'-C2' 100.049 -2.651 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . 0.545 " O2'" " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.958 0 C5'-C4'-C3' 111.882 -2.412 . 0.896 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.545 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.957 0 O4'-C1'-N19 111.628 3.428 . 0.652 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.524 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.072 0 O4'-C1'-N19 111.297 3.097 . 0.631 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 0.664 ' O4 ' ' NH2' ' B' ' 44' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 O4'-C1'-N19 111.597 3.397 . 0.666 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.77 0 C5'-C4'-C3' 110.575 -3.284 . 0.721 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . 0.69 ' O6 ' ' N1 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.042 0 C4'-C3'-C2' 99.737 -2.963 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . 0.696 ' H8 ' H5'' ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.062 0 O4'-C1'-N19 111.481 3.281 . 0.571 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . 0.69 " O4'" " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.319 1 O4'-C1'-N19 112.505 4.305 . 0.031 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . 0.514 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.098 0 C4'-C3'-C2' 99.988 -2.712 . 0.572 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 0.513 " O2'" " H5'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 O4'-C1'-N19 112.163 3.963 . 0.59 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . 0.513 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 C4'-C3'-C2' 100.312 -2.388 . 0.662 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 C4'-C3'-C2' 99.828 -2.872 . 0.614 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 O4'-C1'-N19 111.885 3.685 . 0.601 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ' G' . . . . . 1.167 ' H8 ' ' OP2' ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C4'-C3'-C2' 100.014 -2.686 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ' C' . . . . . 1.297 " O2'" ' N9 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.287 2 O4'-C1'-N19 113.689 5.489 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1g' 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ' A' . . . . . 1.297 ' N9 ' " O2'" ' A' ' 56' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C4'-C3'-C2' 100.237 -2.463 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ' A' . . . . . 0.761 ' H8 ' " O5'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.703 0 C5'-C4'-C3' 112.336 -2.109 . 0.553 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . 0.43 " O4'" " H2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.439 0 C5'-C4'-C3' 112.164 -2.224 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 O4'-C1'-N19 111.588 3.388 . 0.746 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . 0.625 " O2'" " H5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.864 0 O4'-C1'-N19 111.695 3.495 . 0.808 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . 0.625 " H5'" " O2'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.876 0 C5'-C4'-C3' 112.103 -2.265 . 0.54 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . 0.637 ' OP1' ' NH1' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C5'-C4'-C3' 110.185 -3.544 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . 1.137 " C3'" HH22 ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -2.958 1 O4'-C1'-N19 113.332 5.132 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . 1.02 " H2'" ' N7 ' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.041 0 C4'-C3'-C2' 99.509 -3.191 OUTLIER-EPSILON 0.456 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . 1.02 ' N7 ' " H2'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 P--O5' 1.618 2.5 1 P-O3'-C3' 127.978 6.899 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 1 O4'-C1'-N19 112.872 4.672 . 0.636 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . 0.69 ' N1 ' ' O6 ' ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.267 0 O5'-C5'-C4' 114.54 3.1 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . 0.609 " H1'" ' H22' ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.108 0 O4'-C1'-N19 112.053 3.853 . 0.542 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . 0.599 " H5'" " O2'" ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 C4'-C3'-C2' 100.251 -2.449 . 0.633 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . 0.44 " O2'" " H5'" ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.0 0 C5'-C4'-C3' 111.287 -2.809 . 0.69 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . 0.517 " O2'" " H5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.192 0 C4'-C3'-C2' 100.26 -2.44 . 0.687 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . 0.517 " H5'" " O2'" ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.983 0 O4'-C1'-N19 112.076 3.876 . 0.626 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . 0.46 " H5'" " O2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 O4'-C1'-N19 112.072 3.872 . 0.499 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 48.8 p30 . . . . . 0 N--CA 1.471 0.598 0 N-CA-C 110.605 -0.146 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 65.8 p -143.72 -177.74 5.56 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.116 0.966 . . . . 0.0 108.636 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 5.3 tpp85 -51.67 -41.32 61.3 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.359 0.664 . . . . 0.0 109.86 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -64.0 -55.99 18.33 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -173.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.897 ' O ' ' HG3' ' B' ' 41' ' ' ARG . . . -50.69 -47.24 58.94 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.169 0.587 . . . . 0.0 110.444 -176.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 18.3 mmt85 -61.34 -54.15 47.55 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 1.137 HH22 " C3'" ' A' ' 69' ' ' ' C' . 23.9 tpt180 -55.53 -52.15 64.66 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -176.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' B' ' 44' ' ' ARG . 51.2 m-20 -52.88 -44.82 67.13 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.833 0.453 . . . . 0.0 110.109 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.897 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 94.5 mtt-85 -56.87 -52.98 62.99 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -177.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -54.58 -56.01 23.4 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -178.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -54.12 -43.01 70.11 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 173.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.795 ' HB3' ' O ' ' B' ' 41' ' ' ARG . 18.1 tpp180 -53.17 -49.83 65.84 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 123.526 0.73 . . . . 0.0 110.119 -177.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -59.61 -55.86 29.17 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 -176.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 1.061 ' O ' ' HB2' ' B' ' 50' ' ' ARG . 76.9 mtm180 -56.85 -35.61 69.06 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -174.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.552 ' C ' ' CD ' ' B' ' 47' ' ' GLU . 2.9 tm-20 -68.32 -56.42 8.64 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.52 ' HG3' ' OP2' ' A' ' 44' ' ' ' C' . 0.7 OUTLIER -61.34 -58.19 9.24 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -177.733 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -63.06 -47.07 84.54 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -175.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 1.061 ' HB2' ' O ' ' B' ' 46' ' ' ARG . 1.1 tmm_? -58.73 -56.84 16.94 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -176.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.72 -49.5 74.98 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -178.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 1.358 ' O ' ' CG ' ' B' ' 55' ' ' ARG . . . -56.27 -56.86 15.83 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.15 -55.34 34.24 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -178.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.75 -25.59 41.4 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 1.358 ' CG ' ' O ' ' B' ' 52' ' ' ALA . 6.2 ppt_? . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . 0.445 ' C6 ' ' C5 ' ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 C5'-C4'-C3' 111.207 -2.862 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . 0.451 " O2'" " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 C5'-C4'-C3' 111.067 -2.956 . 0.667 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.604 ' OP1' ' NH2' ' B' ' 48' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.858 0 O4'-C1'-N19 111.503 3.303 . 0.627 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.5 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 O4'-C1'-N19 110.801 2.601 . 0.668 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 0.9 " O2'" " H5'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 O4'-C1'-N19 111.422 3.222 . 0.662 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . 0.9 " H5'" " O2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 O4'-C1'-N19 110.84 2.64 . 0.492 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . 1.049 ' O6 ' ' ND2' ' B' ' 40' ' ' ASN . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 C4'-C3'-C2' 100.406 -2.294 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . 0.924 ' C8 ' ' HG2' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.415 -3.176 1 C1'-O4'-C4' 105.879 -4.134 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . 0.706 ' H6 ' " O3'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.185 1 O4'-C1'-N19 113.028 4.828 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . 0.488 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.138 0 C4'-C3'-C2' 100.236 -2.464 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 0.443 ' C5 ' ' C5 ' ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.289 1 O4'-C1'-N19 112.378 4.178 . 0.687 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . 0.428 " O2'" " H5'" ' A' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.078 0 C4'-C3'-C2' 100.262 -2.438 . 0.601 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ' G' . . . . . 0.428 " H5'" " O2'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 C4'-C3'-C2' 100.058 -2.642 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . 0.627 " O2'" " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 O4'-C1'-N19 111.687 3.487 . 0.612 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ' G' . . . . . 0.627 " H5'" " O2'" ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.08 0 C5'-C4'-C3' 112.274 -2.151 . 0.655 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ' C' . . . . . 0.556 " H5'" " C2'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.615 1 O4'-C1'-N19 113.033 4.833 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ' A' . . . . . 0.777 ' C2 ' " H1'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.23 0 C3'-C2'-C1' 103.859 2.621 . 0.355 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ' A' . . . . . 0.777 " H1'" ' C2 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 C4'-C3'-C2' 99.189 -3.511 OUTLIER-EPSILON 0.632 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.69 1 P-O3'-C3' 126.501 5.667 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ' C' . . . . . 0.721 " H2'" ' C6 ' ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 O4'-C1'-N19 110.961 2.761 . 0.514 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . 1.146 " O2'" " H5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.892 0 O4'-C1'-N19 111.403 3.203 . 0.459 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . 1.146 " H5'" " O2'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.054 0 C5'-C4'-C3' 110.551 -3.299 OUTLIER-DELTA 0.131 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . 1.499 ' C2 ' ' NH1' ' B' ' 46' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 O4'-C1'-N19 111.236 3.036 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . 0.951 ' OP2' ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -3.083 1 O4'-C1'-N19 112.294 4.094 . 0.047 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . 0.879 " H5'" " O2'" ' A' ' 69' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.072 0 C5'-C4'-C3' 112.475 -2.017 . 0.621 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . 1.217 " H1'" ' NH2' ' B' ' 43' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.738 0 O4'-C1'-N19 110.758 2.558 . 0.034 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 1 O4'-C1'-N19 112.97 4.77 . 0.639 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . 0.452 ' H62' ' NH1' ' B' ' 43' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.891 0 C5'-C4'-C3' 111.221 -2.853 . 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.558 0 O4'-C1'-N19 111.423 3.223 . 0.552 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . 0.538 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 C4'-C3'-C2' 100.021 -2.679 . 0.472 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . 0.538 " H5'" " O2'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.992 0 C4'-C3'-C2' 100.427 -2.273 . 0.451 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C5'-C4'-C3' 111.859 -2.427 . 0.853 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.006 0 O4'-C1'-N19 112.023 3.823 . 0.379 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.955 0 O4'-C1'-N19 112.03 3.83 . 0.476 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 . . . . . 0 N--CA 1.471 0.595 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.97 ' O ' ' HG2' ' B' ' 38' ' ' ARG . 74.2 p -141.47 173.57 11.37 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.198 0.999 . . . . 0.0 109.004 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.578 ' O ' ' HG2' ' B' ' 39' ' ' ARG . 19.0 tpp85 -59.97 -49.42 77.74 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.924 ' HG2' ' C8 ' ' A' ' 48' ' ' ' G' . 4.5 mp0 -56.45 -52.96 62.71 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -176.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 1.27 ' O ' ' HB2' ' B' ' 41' ' ' ARG . . . -52.13 -43.81 64.19 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.97 ' HG2' ' O ' ' B' ' 34' ' ' THR . 31.0 mmt180 -59.03 -60.8 3.29 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 177.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.951 ' NH2' ' OP2' ' A' ' 69' ' ' ' C' . 24.3 mmm180 -53.91 -61.65 2.17 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -177.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . 1.049 ' ND2' ' O6 ' ' A' ' 47' ' ' ' G' . 40.3 m-20 -55.41 -30.15 59.89 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 176.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 1.27 ' HB2' ' O ' ' B' ' 37' ' ' ALA . 56.5 ttt85 -70.86 -45.13 64.98 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.778 -175.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.726 ' O ' ' HG2' ' B' ' 46' ' ' ARG . 1.1 mpt_? -58.03 -57.75 11.46 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -177.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 1.217 ' NH2' " H1'" ' A' ' 71' ' ' ' G' . 11.8 ptp180 -55.96 -31.54 63.07 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 -171.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 85.2 mtt-85 -57.82 -51.39 69.78 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 174.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' TRP . . . . . 0.688 ' O ' ' HB3' ' B' ' 48' ' ' ARG . 37.8 t90 -66.76 -34.19 77.28 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 1.499 ' NH1' ' C2 ' ' A' ' 68' ' ' ' A' . 20.9 mmm180 -55.79 -68.03 0.24 Allowed 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.588 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 87.9 tt0 -54.79 -30.02 55.87 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.688 ' HB3' ' O ' ' B' ' 45' ' ' TRP . 14.6 tpp180 -56.12 -60.11 3.95 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -65.09 -29.91 70.82 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.588 ' HB3' ' HA ' ' B' ' 47' ' ' GLU . 15.7 tpp180 -58.83 -54.93 41.59 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' B' ' 55' ' ' ARG . . . -56.08 -49.55 73.49 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.93 -50.29 71.15 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -56.07 24.46 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.65 -55.39 33.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.417 ' CB ' ' O ' ' B' ' 51' ' ' ALA . 73.7 ttt-85 . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 0 C4'-C3'-C2' 100.109 -2.591 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . 0.471 " O2'" " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.838 0 C5'-C4'-C3' 111.774 -2.484 . 0.831 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.471 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.105 0 O4'-C1'-N19 111.085 2.885 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.683 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 O4'-C1'-N19 111.961 3.761 . 0.664 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 0.746 ' O4 ' ' NH2' ' B' ' 44' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.905 0 C3'-C2'-C1' 103.917 2.686 . 0.566 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . 0.684 " O2'" ' N7 ' ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.206 1 O4'-C1'-N19 113.834 5.634 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . 1.126 ' N7 ' ' HG2' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 O3'-P-O5' 98.09 -3.111 . 0.192 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . 0.84 ' N7 ' ' NE2' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.419 -2.838 0 O4'-C1'-N19 110.754 2.554 . 0.621 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . 0.773 ' H6 ' " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.299 1 O4'-C1'-N19 112.409 4.209 . 0.011 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . 0.674 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 C4'-C3'-C2' 100.237 -2.463 . 0.48 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 0.603 " O2'" " H5'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.213 1 O4'-C1'-N19 112.384 4.184 . 0.645 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . 0.603 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 C4'-C3'-C2' 100.416 -2.284 . 0.583 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ' G' . . . . . 0.443 ' C6 ' ' C6 ' ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.95 0 C4'-C3'-C2' 100.062 -2.638 . 0.56 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . 0.645 " O2'" " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 O4'-C1'-N19 112.124 3.924 . 0.621 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ' G' . . . . . 1.278 " H1'" ' N6 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 O4'-C1'-N19 111.039 2.839 . 0.619 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ' C' . . . . . 1.339 " H4'" ' N7 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.119 1 O4'-C1'-N19 112.684 4.484 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ' A' . . . . . 1.339 ' N7 ' " H4'" ' A' ' 56' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 C4'-C3'-C2' 99.854 -2.846 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ' A' . . . . . 1.278 ' N6 ' " H1'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.779 0 C5'-C4'-C3' 112.255 -2.164 . 0.331 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . 1.068 " H5'" " O2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.787 0 C5'-C4'-C3' 111.903 -2.398 . 0.384 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ' C' . . . . . 0.628 " H2'" ' C6 ' ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 O4'-C1'-N19 111.945 3.745 . 0.772 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . 0.683 ' H6 ' " O5'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.806 0 C5'-C4'-C3' 111.721 -2.52 . 0.461 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.87 0 C3'-C2'-C1' 103.801 2.556 . 0.643 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . 0.598 " O5'" ' NH2' ' B' ' 42' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 O4'-C1'-N19 111.426 3.226 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . 0.793 " O2'" " H5'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.808 0 O4'-C1'-N19 112.184 3.984 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . 1.196 ' H8 ' ' OP2' ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.37 0 O5'-C5'-C4' 115.039 3.457 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . 1.049 " H3'" ' OP1' ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 O4'-C1'-N19 111.878 3.678 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . 0.846 ' O4 ' ' CZ ' ' B' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.719 1 O4'-C1'-N19 112.734 4.534 . 0.542 6p . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . 0.539 " H2'" ' C6 ' ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 C5'-C4'-C3' 111.726 -2.516 . 0.016 6j . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . 0.661 ' H6 ' " O5'" ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.659 1 O4'-C1'-N19 112.278 4.078 . 0.518 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . 0.758 ' C2 ' ' C5 ' ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 C4'-C3'-C2' 99.867 -2.833 . 0.423 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . 0.758 ' C5 ' ' C2 ' ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 C4'-C3'-C2' 100.267 -2.433 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . 0.739 " H2'" ' C6 ' ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 C4'-C3'-C2' 99.937 -2.763 . 0.512 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . 1.334 " C3'" ' C6 ' ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 O4'-C1'-N19 112.07 3.87 . 0.549 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . 1.334 ' C6 ' " C3'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.75 1 O4'-C1'-N19 112.299 4.099 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.2 p -83.9 178.76 7.76 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.706 ' O ' ' HG2' ' B' ' 39' ' ' ARG . 22.2 mtp-105 -55.55 -21.93 19.3 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 177.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 1.126 ' HG2' ' N7 ' ' A' ' 47' ' ' ' G' . 4.1 tp-100 -60.76 -43.06 98.5 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 123.388 0.675 . . . . 0.0 110.152 178.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.649 ' O ' ' HG2' ' B' ' 41' ' ' ARG . . . -54.74 -49.85 69.82 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -178.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -57.18 -31.81 65.81 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 1.158 ' O ' ' HB2' ' B' ' 43' ' ' ARG . 24.4 mmm180 -79.31 -40.68 29.79 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . 1.002 ' OD1' ' O6 ' ' A' ' 47' ' ' ' G' . 67.7 m-20 -71.86 -71.78 0.26 Allowed 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -174.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.649 ' HG2' ' O ' ' B' ' 37' ' ' ALA . 40.0 ptt180 -64.07 -47.85 78.51 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.598 ' NH2' " O5'" ' A' ' 68' ' ' ' A' . 56.6 ttt-85 -46.83 -43.6 18.64 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.092 0.957 . . . . 0.0 110.338 174.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 1.158 ' HB2' ' O ' ' B' ' 39' ' ' ARG . 6.1 tmm_? -54.96 -52.14 63.97 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.746 ' NH2' ' O4 ' ' A' ' 45' ' ' ' U' . 90.6 mtt-85 -61.18 -51.55 68.55 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 -177.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' TRP . . . . . 0.423 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 38.5 t90 -57.28 -14.03 3.94 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.542 HH22 HH11 ' B' ' 50' ' ' ARG . 0.2 OUTLIER -72.34 -57.76 3.94 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.728 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.831 ' OE1' ' HG3' ' B' ' 48' ' ' ARG . 1.3 pp20? -75.36 -27.28 59.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -177.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.831 ' HG3' ' OE1' ' B' ' 47' ' ' GLU . 95.9 mtt180 -62.4 -37.7 86.8 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 174.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.15 -49.3 78.4 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -178.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.846 ' CZ ' ' O4 ' ' A' ' 72' ' ' ' U' . 17.1 ptm180 -64.5 -40.69 96.12 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.062 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.15 -45.25 75.66 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -175.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.72 -52.41 65.6 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.18 -56.2 23.51 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.25 -56.05 24.37 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.115 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 0 C4'-C3'-C2' 100.105 -2.595 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . 0.689 " O2'" " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.878 0 C5'-C4'-C3' 111.91 -2.393 . 0.847 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.689 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.918 0 O4'-C1'-N19 111.766 3.566 . 0.529 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.074 0 O4'-C1'-N19 111.183 2.983 . 0.694 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.382 0 O4'-C1'-N19 111.879 3.679 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . 0.843 " H3'" ' HB2' ' B' ' 37' ' ' ALA . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C5'-C4'-C3' 109.937 -3.708 . 0.721 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . 0.823 ' N7 ' ' HB3' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.418 -2.924 0 C4'-C3'-C2' 100.386 -2.314 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . 0.761 HO2' ' H6 ' ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 O4'-C1'-N19 111.554 3.354 . 0.53 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . 0.761 ' H6 ' HO2' ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.369 1 O4'-C1'-N19 112.439 4.239 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . 0.544 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.226 0 C4'-C3'-C2' 100.081 -2.619 . 0.552 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 0.588 " H2'" ' C8 ' ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 O4'-C1'-N19 110.818 2.618 . 0.595 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . 0.607 " O5'" ' H8 ' ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C5'-C4'-C3' 112.332 -2.112 . 0.52 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ' G' . . . . . 0.404 ' C5 ' ' C5 ' ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.958 0 C4'-C3'-C2' 100.087 -2.613 . 0.694 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . 0.773 " O2'" " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.214 0 O4'-C1'-N19 111.875 3.675 . 0.639 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ' G' . . . . . 0.773 " H5'" " O2'" ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 100.724 -1.976 . 0.591 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.548 1 O4'-C1'-N19 113.172 4.972 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ' A' . . . . . 0.688 " H2'" ' C8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.271 0 P-O3'-C3' 123.815 3.429 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ' A' . . . . . 0.688 ' C8 ' " H2'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C5'-C4'-C3' 112.196 -2.203 . 0.458 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . 0.666 " O4'" " H2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 C5'-C4'-C3' 111.844 -2.438 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ' C' . . . . . 0.523 " H5'" " O2'" ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.307 1 O4'-C1'-N19 112.624 4.424 . 0.663 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . 0.7 " H2'" ' C8 ' ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.849 0 O4'-C1'-N19 111.923 3.723 . 0.84 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . 1.258 ' H8 ' " O5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 C5'-C4'-C3' 110.915 -3.057 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . 0.448 ' C2 ' ' CZ3' ' B' ' 45' ' ' TRP . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 O4'-C1'-N19 111.482 3.282 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . 1.019 ' P ' HH12 ' B' ' 46' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.705 2 O4'-C1'-N19 112.879 4.679 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . 0.727 " H3'" " H2'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.037 1 P-O3'-C3' 126.984 6.07 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . 0.727 " H2'" " H3'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.393 0 O4'-C1'-N19 111.291 3.091 OUTLIER-EPSILON 0.054 5p . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 2 P-O3'-C3' 127.162 6.219 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . 0.893 ' N7 ' ' NH2' ' B' ' 43' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.897 0 C5'-C4'-C3' 110.788 -3.141 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . 0.479 ' C5 ' ' C5 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.739 1 P-O3'-C3' 125.867 5.139 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C5'-C4'-C3' 112.014 -2.324 . 0.646 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.803 1 C4'-C3'-C2' 98.63 -4.07 OUTLIER-EPSILON 0.659 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . 0.468 " O2'" " H5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.032 1 P-O3'-C3' 127.409 6.424 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . 0.474 " O2'" " H5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.991 0 O4'-C1'-N19 111.978 3.778 . 0.649 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . 0.474 " H5'" " O2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 O4'-C1'-N19 112.174 3.974 . 0.452 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.573 ' O ' ' HD3' ' B' ' 38' ' ' ARG . 81.5 p -142.07 177.17 8.4 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.151 0.98 . . . . 0.0 108.71 179.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.757 ' NH2' ' N7 ' ' A' ' 67' ' ' ' G' . 24.4 mtp-105 -59.2 -33.28 70.77 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -176.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.823 ' HB3' ' N7 ' ' A' ' 47' ' ' ' G' . 25.3 mp0 -57.05 -51.79 67.84 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.843 ' HB2' " H3'" ' A' ' 46' ' ' ' G' . . . -54.48 -39.43 67.5 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.463 0.305 . . . . 0.0 110.212 -176.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.573 ' HD3' ' O ' ' B' ' 34' ' ' THR . 1.4 mpt_? -57.8 -63.75 1.14 Allowed 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -176.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' B' ' 43' ' ' ARG . 88.7 mtm-85 -57.93 -43.96 86.6 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -176.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . 0.432 ' O ' ' HB3' ' B' ' 43' ' ' ARG . 54.8 m-20 -55.57 -60.93 2.73 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -57.17 -52.46 65.23 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 176.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.451 ' HB3' ' HA ' ' B' ' 39' ' ' ARG . 58.5 ttt85 -52.49 -33.2 43.72 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.12 -179.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 0.893 ' NH2' ' N7 ' ' A' ' 73' ' ' ' A' . 37.7 ttm180 -56.93 -45.16 82.93 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.729 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 1.0 OUTLIER -62.55 -47.8 82.29 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -177.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' TRP . . . . . 0.448 ' CZ3' ' C2 ' ' A' ' 68' ' ' ' A' . 30.1 t90 -57.79 -59.41 5.26 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -177.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 1.019 HH12 ' P ' ' A' ' 69' ' ' ' C' . 55.2 ttp180 -59.73 -50.61 73.16 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -177.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.524 ' C ' ' CD ' ' B' ' 47' ' ' GLU . 5.3 tm-20 -55.93 -48.9 74.89 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.729 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 1.1 tmm_? -55.22 -55.32 32.6 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -56.44 -36.95 69.61 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.492 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 61.9 ttm-85 -58.8 -52.55 65.22 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.58 -50.03 71.18 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.97 -55.71 29.43 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.32 -54.55 45.5 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.79 -53.84 51.73 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? . . . . . 0 N--CA 1.45 -0.444 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 -178.861 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . 0.755 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 C4'-C3'-C2' 100.272 -2.428 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . 0.755 " H5'" " O2'" ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 C4'-C3'-C2' 100.435 -2.265 . 0.465 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.565 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 O4'-C1'-N19 110.981 2.781 . 0.626 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 111.118 2.918 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 0.533 ' O4 ' ' NH2' ' B' ' 44' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.933 1 O4'-C1'-N19 112.38 4.18 . 0.588 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . 1.38 ' C8 ' ' OP2' ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.929 0 O4'-C1'-N19 110.866 2.666 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . 1.176 ' N7 ' ' HB3' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 C5'-C4'-C3' 111.229 -2.847 . 0.039 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . 1.139 ' C8 ' ' NE2' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.418 -2.912 0 O4'-C1'-N19 111.607 3.407 . 0.181 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . 0.714 ' H6 ' " O3'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.284 1 O4'-C1'-N19 112.518 4.318 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . 0.451 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.296 0 C4'-C3'-C2' 100.098 -2.602 . 0.571 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 0.538 " H2'" ' C8 ' ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 O4'-C1'-N19 112.196 3.996 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . 0.538 ' C8 ' " H2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.799 0 N19-C1'-C2' 109.904 -2.185 . 0.514 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 C4'-C3'-C2' 100.033 -2.667 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.275 0 O4'-C1'-N19 110.854 2.654 . 0.495 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 C4'-C3'-C2' 99.915 -2.785 . 0.603 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.446 2 O4'-C1'-N19 113.577 5.377 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ' A' . . . . . 0.712 " H2'" ' C8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.065 0 P-O3'-C3' 122.364 2.22 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ' A' . . . . . 1.025 " O2'" " H5'" ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C5'-C4'-C3' 112.301 -2.133 . 0.408 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . 1.025 " H5'" " O2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.836 0 C5'-C4'-C3' 112.017 -2.322 . 0.467 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 0 O4'-C1'-N19 111.589 3.389 . 0.744 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . 0.955 " O2'" " H5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 O4'-C1'-N19 111.917 3.717 . 0.796 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . 1.289 ' O6 ' ' NH2' ' B' ' 35' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -3.053 0 O4'-C1'-N19 111.561 3.361 OUTLIER-DELTA 0.145 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . 0.419 ' C2 ' ' CZ3' ' B' ' 45' ' ' TRP . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C5'-C4'-C3' 111.385 -2.743 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . 0.81 ' C5 ' ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 O4'-C1'-N19 112.194 3.994 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . 1.052 " H3'" " H2'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.959 0 C5'-C4'-C3' 111.353 -2.764 . 0.835 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . 1.486 " C5'" " H3'" ' A' ' 72' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -2.969 0 C5'-C4'-C3' 111.252 -2.832 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . 1.486 " H3'" " C5'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.383 0 O4'-C1'-N19 112.064 3.864 OUTLIER-EPSILON 0.195 6p . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . 0.625 " O2'" " H5'" ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.832 1 P-O3'-C3' 126.286 5.488 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . 0.638 ' H6 ' " O5'" ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.682 1 O4'-C1'-N19 112.377 4.177 . 0.604 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . 0.563 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 C4'-C3'-C2' 99.827 -2.873 . 0.424 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . 0.563 " H5'" " O2'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 C4'-C3'-C2' 100.325 -2.375 . 0.513 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . 0.449 " O2'" " H5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 C4'-C3'-C2' 100.051 -2.649 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . 0.533 " H2'" ' C6 ' ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.091 0 O4'-C1'-N19 112.031 3.831 . 0.619 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . 0.533 ' C6 ' " H2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.78 1 O4'-C1'-N19 112.208 4.008 . 0.466 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 15.3 t -156.11 -177.0 6.26 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 1.289 ' NH2' ' O6 ' ' A' ' 67' ' ' ' G' . 23.5 mtp-105 -56.46 -47.29 79.49 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -175.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 1.176 ' HB3' ' N7 ' ' A' ' 47' ' ' ' G' . 30.0 mm100 -56.89 -50.26 73.05 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -176.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.569 ' O ' ' CB ' ' B' ' 41' ' ' ARG . . . -55.55 -55.79 27.82 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' B' ' 42' ' ' ARG . 94.1 mtt-85 -55.59 -35.98 66.4 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 1.259 ' HG2' ' O ' ' B' ' 35' ' ' ARG . 25.0 mmm180 -63.1 -70.79 0.19 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . 0.65 ' O ' ' HG2' ' B' ' 44' ' ' ARG . 20.2 p30 -62.35 -24.77 67.53 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -177.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.569 ' CB ' ' O ' ' B' ' 37' ' ' ALA . 39.2 ttm180 -75.74 -55.15 5.92 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 177.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' B' ' 38' ' ' ARG . 61.7 ttm-85 -56.02 -37.87 69.76 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 0.519 ' HG3' ' OP2' ' A' ' 72' ' ' ' U' . 69.9 ttp85 -56.95 -41.04 77.54 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' B' ' 40' ' ' ASN . 29.1 mmt180 -60.06 -54.6 44.05 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' TRP . . . . . 0.419 ' CZ3' ' C2 ' ' A' ' 68' ' ' ' A' . 29.6 t90 -57.7 -51.25 70.31 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.075 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' B' ' 50' ' ' ARG . 56.1 ttp180 -62.84 -40.2 96.72 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -174.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 1.114 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 36.3 tt0 -70.99 -44.37 66.1 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -61.23 -50.03 74.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -56.88 -30.84 64.25 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 173.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 1.114 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 25.8 tpt180 -58.51 -55.07 39.85 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 123.958 0.903 . . . . 0.0 109.627 176.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.63 -53.04 62.62 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.64 -54.96 40.97 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.47 -50.94 70.27 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.71 -51.49 67.14 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 81.0 ttt180 . . . . . 0 N--CA 1.449 -0.494 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.572 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . 1.212 " C2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 C4'-C3'-C2' 99.986 -2.714 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . 1.212 " H5'" " C2'" ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 C5'-C4'-C3' 111.339 -2.774 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.483 " H2'" ' C6 ' ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 O4'-C1'-N19 112.081 3.881 . 0.825 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 1.126 ' H6 ' ' OP2' ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.34 1 O4'-C1'-N19 112.475 4.275 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 0.817 " O2'" " H5'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 110.883 2.683 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . 1.024 " O2'" ' ND2' ' B' ' 40' ' ' ASN . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 O4'-C1'-N19 111.924 3.724 . 0.595 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . 1.072 ' O6 ' ' ND2' ' B' ' 40' ' ' ASN . . . . . . . . 0 O4'--C4' 1.423 -2.513 0 O3'-P-O5' 98.324 -2.987 . 0.426 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . 0.75 ' N7 ' ' NE2' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.419 -2.828 0 O4'-C1'-N19 110.975 2.775 . 0.678 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . 0.744 ' H6 ' " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.244 1 O4'-C1'-N19 112.388 4.188 . 0.032 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . 0.488 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 C4'-C3'-C2' 100.041 -2.659 . 0.59 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 0.593 " O2'" " H5'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.233 1 O4'-C1'-N19 112.469 4.269 . 0.666 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . 0.593 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.17 0 C4'-C3'-C2' 100.238 -2.462 . 0.652 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ' G' . . . . . 0.44 " H5'" " O2'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.997 0 C4'-C3'-C2' 100.251 -2.449 . 0.559 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 0 O4'-C1'-N19 111.134 2.934 . 0.625 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.87 0 C4'-C3'-C2' 100.098 -2.602 . 0.63 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ' C' . . . . . 0.874 " H2'" ' C8 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.411 -3.516 1 O4'-C1'-N19 113.224 5.024 . 0.318 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ' A' . . . . . 0.945 " H2'" ' C8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 O4'-C1'-N19 110.152 1.952 . 0.448 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ' A' . . . . . 0.989 ' H8 ' " O5'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C4'-C3'-C2' 100.154 -2.546 . 0.457 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . 1.115 ' OP2' ' H8 ' ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 C4'-C3'-C2' 99.46 -3.24 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ' C' . . . . . 0.712 " O4'" " O2'" ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.076 1 O4'-C1'-N19 112.526 4.326 . 0.305 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . 1.317 ' H6 ' ' OP2' ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.413 -3.342 0 O5'-C5'-C4' 115.652 3.894 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . 0.585 " H5'" " O2'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.413 -3.352 1 C4'-C3'-C2' 98.043 -4.657 OUTLIER-EPSILON 0.452 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . 1.282 ' C2 ' ' NH1' ' B' ' 42' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.649 1 P-O3'-C3' 127.231 6.276 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . 0.7 ' N4 ' HH12 ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.788 0 O4'-C1'-N19 112.088 3.888 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . 1.248 ' N7 ' ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.414 -3.268 0 O5'-C5'-C4' 115.492 3.78 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . 0.551 " H1'" ' C8 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 O4'-C1'-N19 112.146 3.946 . 0.01 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 1 O4'-C1'-N19 112.529 4.329 . 0.595 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . 0.551 ' C8 ' " H1'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.993 0 C5'-C4'-C3' 111.529 -2.647 . 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . 0.582 ' H6 ' " O5'" ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 O4'-C1'-N19 112.161 3.961 . 0.626 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . 0.59 ' H61' ' H42' ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 C4'-C3'-C2' 100.411 -2.289 . 0.71 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . 0.429 " H5'" " O2'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.08 0 C4'-C3'-C2' 100.271 -2.429 . 0.594 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . 0.413 " O2'" " H5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 C4'-C3'-C2' 100.172 -2.528 . 0.58 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . 0.434 " O2'" " H5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.057 1 O4'-C1'-N19 112.209 4.009 . 0.654 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . 0.434 " H5'" " O2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.939 0 O4'-C1'-N19 112.043 3.843 . 0.545 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 . . . . . 0 N--CA 1.47 0.575 0 N-CA-C 110.726 -0.102 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 6.1 m -149.8 150.43 31.99 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -173.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.938 ' O ' ' HB2' ' B' ' 39' ' ' ARG . 23.6 mmt85 -52.2 -32.1 34.85 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 178.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.833 ' HB3' ' N7 ' ' A' ' 47' ' ' ' G' . 29.3 mm100 -71.19 -61.46 1.76 Allowed 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.413 0.685 . . . . 0.0 109.695 178.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.563 ' HA ' " H2'" ' A' ' 46' ' ' ' G' . . . -51.67 -57.43 9.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.373 0.669 . . . . 0.0 110.139 -177.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 57.0 ttp85 -56.69 -52.95 62.96 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 1.248 ' NH2' ' N7 ' ' A' ' 70' ' ' ' G' . 13.3 tpt180 -52.73 -56.45 15.47 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.481 0.712 . . . . 0.0 109.76 -175.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . 1.072 ' ND2' ' O6 ' ' A' ' 47' ' ' ' G' . 61.1 m-20 -63.0 -49.76 73.41 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.89 -179.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -60.65 -37.74 82.55 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 1.282 ' NH1' ' C2 ' ' A' ' 68' ' ' ' A' . 19.1 tpp180 -55.78 -46.38 77.95 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -176.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 0.656 ' HG3' ' OE1' ' B' ' 47' ' ' GLU . 68.2 ttp85 -55.9 -34.95 66.02 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 1.275 ' O ' ' HG2' ' B' ' 48' ' ' ARG . 25.5 mmt180 -64.54 -48.54 74.68 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -177.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' TRP . . . . . 0.836 ' O ' ' HB2' ' B' ' 48' ' ' ARG . 90.5 t90 -57.74 -54.37 47.7 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -177.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.409 ' HD3' " O2'" ' A' ' 68' ' ' ' A' . 40.2 mtm105 -57.5 -58.63 7.45 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -177.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.656 ' OE1' ' HG3' ' B' ' 43' ' ' ARG . 0.4 OUTLIER -54.87 -29.84 56.52 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.538 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 1.275 ' HG2' ' O ' ' B' ' 44' ' ' ARG . 22.4 mmm180 -55.75 -47.29 77.21 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -67.12 -36.99 83.08 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -173.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -58.74 -48.49 81.0 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.1 -52.53 63.98 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.98 -54.78 42.76 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.54 -55.61 32.57 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -178.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.54 -56.65 17.78 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 . . . . . 0 N--CA 1.45 -0.45 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . 0.662 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 C4'-C3'-C2' 99.912 -2.788 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . 0.662 " H5'" " O2'" ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 C4'-C3'-C2' 100.288 -2.412 . 0.591 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.64 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 O4'-C1'-N19 110.947 2.747 . 0.569 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.413 ' C4 ' ' C5 ' ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 O4'-C1'-N19 110.914 2.714 . 0.612 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 0.541 " H2'" ' C8 ' ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.196 1 O4'-C1'-N19 112.574 4.374 . 0.698 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . 1.418 ' C8 ' ' OP2' ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.827 0 O4'-C1'-N19 111.374 3.174 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . 1.403 ' C8 ' " O2'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.543 1 C5'-C4'-C3' 109.235 -4.177 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . 0.965 " O2'" ' H6 ' ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.809 0 C5'-C4'-C3' 110.971 -3.019 . 0.585 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . 0.965 ' H6 ' " O2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 O4'-C1'-N19 111.91 3.71 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . 1.265 ' H8 ' ' OP2' ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.309 0 O5'-C5'-C4' 115.139 3.528 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 0.483 " H5'" " O2'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 O4'-C1'-N19 112.111 3.911 . 0.602 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.671 0 C5'-C4'-C3' 110.61 -3.26 . 0.53 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.979 0 C4'-C3'-C2' 100.231 -2.469 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . 0.423 " O2'" " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.229 0 C4'-C3'-C2' 100.006 -2.694 . 0.657 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ' G' . . . . . 0.917 " H2'" ' OP2' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.849 0 C4'-C3'-C2' 99.712 -2.988 . 0.653 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ' C' . . . . . 0.804 " O2'" " H5'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.86 1 O4'-C1'-N19 113.747 5.547 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ' A' . . . . . 1.127 " C3'" ' C8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 O4'-C1'-N19 111.913 3.713 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ' A' . . . . . 1.127 ' C8 ' " C3'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 C5'-C4'-C3' 111.716 -2.523 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.926 0 C5'-C4'-C3' 110.508 -3.328 . 0.649 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ' C' . . . . . 0.422 " O2'" " H5'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.786 0 O4'-C1'-N19 111.662 3.462 . 0.713 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . 0.656 " H3'" ' HD3' ' B' ' 35' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 C4'-C3'-C2' 99.86 -2.84 . 0.741 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . 0.821 ' O6 ' ' O6 ' ' A' ' 50' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.379 -3.82 0 O5'-P-OP2 99.99 -3.078 . 0.343 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . 0.561 " H4'" " C5'" ' A' ' 69' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 O4'-C1'-N19 111.124 2.924 . 0.107 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . 0.561 " C5'" " H4'" ' A' ' 68' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.858 1 O4'-C1'-N19 112.678 4.478 . 0.379 6j . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . 1.442 ' OP2' ' C8 ' ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 O5'-C5'-C4' 115.293 3.638 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . 1.138 ' OP1' ' H8 ' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.918 0 O4'-C1'-N19 111.083 2.883 . 0.01 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . 1.268 ' OP2' ' HG3' ' B' ' 43' ' ' ARG . . . . . . . . 0 O4'--C4' 1.422 -2.564 1 O4'-C1'-N19 113.207 5.007 . 0.316 6p . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . 0.947 ' H8 ' " O4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C1'-O4'-C4' 106.978 -2.913 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . 0.537 " H5'" " O2'" ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.104 0 O4'-C1'-N19 112.068 3.868 . 0.66 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . 0.411 ' C2 ' ' C5 ' ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.044 0 C4'-C3'-C2' 100.044 -2.656 . 0.726 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . 0.411 ' C5 ' ' C2 ' ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.192 0 C4'-C3'-C2' 100.056 -2.644 . 0.644 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . 0.436 " O2'" " H5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.198 0 C4'-C3'-C2' 100.014 -2.686 . 0.559 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . 0.554 " H2'" ' C6 ' ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.991 0 O4'-C1'-N19 111.814 3.614 . 0.566 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . 0.554 ' C6 ' " H2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.713 1 O4'-C1'-N19 112.238 4.038 . 0.441 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 110.514 -0.18 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.653 ' O ' ' HB2' ' B' ' 38' ' ' ARG . 9.4 t -156.26 174.02 16.01 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.749 ' HB3' ' NH1' ' B' ' 39' ' ' ARG . 38.5 mtm105 -55.08 -46.35 75.46 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 122.631 0.372 . . . . 0.0 110.44 -174.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 1.081 ' HB3' ' N7 ' ' A' ' 47' ' ' ' G' . 3.9 mp0 -60.07 -67.45 0.39 Allowed 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 1.229 ' O ' ' HG3' ' B' ' 41' ' ' ARG . . . -52.69 -25.21 10.3 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.725 ' O ' ' HB2' ' B' ' 41' ' ' ARG . 22.9 tpt180 -75.74 -54.88 6.25 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -177.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.749 ' NH1' ' HB3' ' B' ' 35' ' ' ARG . 88.8 mtm-85 -63.83 -40.88 97.66 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . 0.608 ' HB3' ' N7 ' ' A' ' 46' ' ' ' G' . 64.8 m-20 -54.71 -31.82 58.7 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 174.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 1.229 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 81.3 mtp180 -65.86 -44.92 83.99 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -67.12 -39.07 86.59 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 1.268 ' HG3' ' OP2' ' A' ' 72' ' ' ' U' . 70.3 ttp85 -53.53 -46.76 70.28 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -174.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 1.242 ' O ' ' HG2' ' B' ' 48' ' ' ARG . 42.3 mtm105 -74.19 -34.03 63.63 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -176.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 14.1 t90 -59.93 -42.28 93.63 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -55.81 -71.69 0.08 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.449 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.456 ' C ' ' CD ' ' B' ' 47' ' ' GLU . 4.2 tm-20 -54.12 -43.09 70.17 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.341 -178.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 1.242 ' HG2' ' O ' ' B' ' 44' ' ' ARG . 7.9 mmm180 -52.7 -73.94 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.22 0.608 . . . . 0.0 110.194 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -58.24 -33.76 69.71 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -175.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -58.53 -46.78 86.1 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -177.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.08 -53.95 52.24 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.82 -53.4 57.83 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.35 -50.37 69.84 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.57 -54.03 49.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . 0.74 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.195 0 C4'-C3'-C2' 100.297 -2.403 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . 0.74 " H5'" " O2'" ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.108 0 C4'-C3'-C2' 100.292 -2.408 . 0.46 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.716 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 O4'-C1'-N19 111.099 2.899 . 0.498 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 1.529 " C2'" H5'' ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 O4'-C1'-N19 111.111 2.911 . 0.57 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 1.529 H5'' " C2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.905 0 O4'-C1'-N19 111.612 3.412 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . 1.052 " H2'" HD22 ' B' ' 40' ' ' ASN . . . . . . . . 0 O4'--C4' 1.42 -2.763 0 C5'-C4'-C3' 111.05 -2.966 . 0.792 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . 1.173 ' N7 ' ' ND2' ' B' ' 40' ' ' ASN . . . . . . . . 0 O4'--C4' 1.414 -3.261 0 C1'-O4'-C4' 106.699 -3.223 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . 0.704 " H5'" " O2'" ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 O4'-C1'-N19 111.404 3.204 . 0.336 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . 0.536 " O2'" " H5'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.225 1 O4'-C1'-N19 112.593 4.393 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . 0.538 " O2'" " H5'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C4'-C3'-C2' 100.299 -2.401 . 0.593 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 0.571 " O2'" " H5'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 O4'-C1'-N19 112.157 3.957 . 0.615 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . 0.571 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.06 0 C4'-C3'-C2' 100.468 -2.232 . 0.644 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 0 C4'-C3'-C2' 100.011 -2.689 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.332 0 O4'-C1'-N19 111.197 2.997 . 0.6 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.842 0 C4'-C3'-C2' 99.945 -2.755 . 0.64 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ' C' . . . . . 1.075 " H4'" ' N7 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.341 1 O4'-C1'-N19 112.572 4.372 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ' A' . . . . . 1.075 ' N7 ' " H4'" ' A' ' 56' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.412 -3.385 0 C4'-C3'-C2' 99.904 -2.796 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ' A' . . . . . 1.168 " O2'" " H5'" ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 N19-C1'-C2' 109.144 -2.66 . 0.331 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . 1.168 " H5'" " O2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 C5'-C4'-C3' 111.764 -2.491 . 0.381 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ' C' . . . . . 0.587 " O2'" " H5'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.902 0 O4'-C1'-N19 111.635 3.435 . 0.696 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . 0.587 " H5'" " O2'" ' A' ' 65' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 O4'-C1'-N19 110.36 2.16 . 0.669 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . 1.017 ' N7 ' ' NH2' ' B' ' 35' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 100.769 -1.931 . 0.674 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . 1.028 ' OP2' ' NH1' ' B' ' 38' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 O4'-C1'-N19 111.553 3.353 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . 0.825 ' H41' HH21 ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.953 1 O4'-C1'-N19 112.682 4.482 . 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . 1.145 ' H8 ' ' OP2' ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 O4'-C1'-N19 111.381 3.181 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . 0.614 ' C8 ' " H2'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 O4'-C1'-N19 111.394 3.194 . 0.064 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.839 0 O4'-C1'-N19 111.715 3.515 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . 0.435 ' C5 ' ' C5 ' ' A' ' 74' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 C5'-C4'-C3' 111.13 -2.913 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . 0.435 ' C5 ' ' C5 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.696 0 O4'-C1'-N19 111.931 3.731 . 0.717 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . 0.449 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 C4'-C3'-C2' 100.042 -2.658 . 0.699 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . 0.449 " H5'" " O2'" ' A' ' 75' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.194 0 C4'-C3'-C2' 100.121 -2.579 . 0.562 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . 0.431 " H5'" " O2'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 C4'-C3'-C2' 100.14 -2.56 . 0.535 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . 0.597 " O2'" " H5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.05 0 O4'-C1'-N19 111.316 3.116 . 0.584 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . 0.597 " H5'" " O2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 O4'-C1'-N19 112.159 3.959 . 0.471 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 . . . . . 0 N--CA 1.471 0.593 0 CA-C-O 120.403 0.144 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 40.3 m -152.82 149.56 28.43 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -172.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 1.017 ' NH2' ' N7 ' ' A' ' 67' ' ' ' G' . 24.5 mtp-105 -54.83 -47.45 74.08 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -178.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -52.75 -59.45 4.47 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 174.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.71 ' HB2' " H3'" ' A' ' 46' ' ' ' G' . . . -55.66 -36.63 67.28 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 -178.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 1.028 ' NH1' ' OP2' ' A' ' 68' ' ' ' A' . 71.4 ttt-85 -57.21 -47.6 80.89 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.825 HH21 ' H41' ' A' ' 69' ' ' ' C' . 48.4 mmt-85 -64.16 -46.29 84.69 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . 1.173 ' ND2' ' N7 ' ' A' ' 47' ' ' ' G' . 51.9 m-20 -56.36 -54.04 50.2 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 -176.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -65.66 -48.83 70.78 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -67.01 -43.71 82.18 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -175.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 0.409 ' CB ' ' O ' ' B' ' 39' ' ' ARG . 27.1 ttp-105 -59.16 -34.72 72.43 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -175.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 1.055 ' NH1' ' C5 ' ' A' ' 45' ' ' ' U' . 84.1 mtm180 -71.82 -42.18 67.3 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' TRP . . . . . 0.402 ' CZ3' ' C6 ' ' A' ' 68' ' ' ' A' . 30.4 t90 -67.19 -40.01 86.47 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.891 ' HA ' ' H2 ' ' A' ' 68' ' ' ' A' . 60.3 ttp180 -55.72 -50.07 71.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -178.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.806 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 80.3 mm-40 -62.93 -30.72 71.77 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -54.31 48.09 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -178.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -57.45 -30.42 65.01 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 173.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.806 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 1.2 tmt_? -58.48 -59.67 5.0 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.409 0.684 . . . . 0.0 109.358 -179.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.01 -53.01 61.22 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.95 -53.12 60.65 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.79 -52.58 63.49 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.6 -53.98 49.77 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.314 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . 0.729 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 C4'-C3'-C2' 100.215 -2.485 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . 0.729 " H5'" " O2'" ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.095 0 C4'-C3'-C2' 100.401 -2.299 . 0.461 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.661 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.026 0 O4'-C1'-N19 111.142 2.942 . 0.549 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.667 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 O4'-C1'-N19 111.511 3.311 . 0.604 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 1.145 ' O4 ' ' NH2' ' B' ' 44' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 112.105 3.905 . 0.617 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . 0.604 " H3'" ' HB2' ' B' ' 37' ' ' ALA . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C5'-C4'-C3' 111.154 -2.898 . 0.733 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . 1.113 ' N7 ' ' HB3' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.413 -3.352 0 C4'-C3'-C2' 99.907 -2.793 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . 0.717 HO2' ' H6 ' ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 O4'-C1'-N19 111.499 3.299 . 0.417 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . 0.772 " O2'" " H5'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.262 1 O4'-C1'-N19 112.512 4.312 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . 1.12 " C3'" ' C6 ' ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.917 0 C3'-C2'-C1' 104.0 2.778 . 0.481 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 1.12 ' C6 ' " C3'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.198 1 O4'-C1'-N19 112.485 4.285 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . 0.485 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 C4'-C3'-C2' 100.36 -2.34 . 0.613 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 C4'-C3'-C2' 99.958 -2.742 . 0.661 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 0 C4'-C3'-C2' 99.957 -2.743 . 0.603 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ' G' . . . . . 0.805 " O5'" ' H8 ' ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C5'-C4'-C3' 112.208 -2.195 . 0.536 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ' C' . . . . . 0.807 " C3'" H5'' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.658 1 O4'-C1'-N19 113.084 4.884 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ' A' . . . . . 1.354 ' C8 ' " H5'" ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.277 1 C1'-O4'-C4' 104.966 -5.148 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ' A' . . . . . 0.842 ' H8 ' " O5'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C5'-C4'-C3' 111.129 -2.914 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 C5'-C4'-C3' 110.959 -3.028 . 0.644 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 O4'-C1'-N19 111.513 3.313 . 0.698 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . 0.68 " H2'" ' C8 ' ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 O4'-C1'-N19 110.459 2.259 . 0.669 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . 0.68 ' C8 ' " H2'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C4'-C3'-C2' 100.406 -2.294 . 0.535 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . 0.854 ' N3 ' ' HD3' ' B' ' 46' ' ' ARG . . . . . . . . 0 O4'--C4' 1.422 -2.565 1 O4'-C1'-N19 112.408 4.208 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . 0.59 ' C2 ' " H2'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.08 1 O4'-C1'-N19 112.336 4.136 . 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . 1.418 ' N7 ' ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 C5'-C4'-C3' 112.656 -1.896 . 0.596 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . 1.29 ' OP1' ' H8 ' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.69 0 O4'-C1'-N19 111.129 2.929 . 0.0 OUTLIER '7D dist 5z' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . 0.479 " H2'" H5'' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.768 1 O4'-C1'-N19 112.223 4.023 . 0.423 6p . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . 0.555 ' C8 ' " O4'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.912 0 N19-C1'-C2' 109.459 -2.463 . 0.609 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . 0.438 " H1'" ' H22' ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 O4'-C1'-N19 112.075 3.875 . 0.689 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . 0.438 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.229 0 C4'-C3'-C2' 100.118 -2.582 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . 0.463 " O2'" " H5'" ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.24 0 C4'-C3'-C2' 100.101 -2.599 . 0.61 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . 0.463 " H5'" " O2'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 C4'-C3'-C2' 100.106 -2.594 . 0.591 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . 0.532 " O2'" " H5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.981 0 O4'-C1'-N19 111.922 3.722 . 0.548 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . 0.532 " H5'" " O2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.779 0 O4'-C1'-N19 112.163 3.963 . 0.462 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 110.573 -0.158 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -156.04 175.3 14.14 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.459 ' O ' ' HG3' ' B' ' 39' ' ' ARG . 78.2 mtt85 -55.39 -47.42 75.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -173.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 1.113 ' HB3' ' N7 ' ' A' ' 47' ' ' ' G' . 4.5 mp0 -61.65 -65.07 0.75 Allowed 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -178.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.604 ' HB2' " H3'" ' A' ' 46' ' ' ' G' . . . -50.6 -31.0 14.68 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -69.91 -68.06 0.44 Allowed 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 175.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 1.418 ' NH2' ' N7 ' ' A' ' 70' ' ' ' G' . 84.3 mtp180 -51.01 -34.27 28.63 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.381 0.672 . . . . 0.0 110.596 -173.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . 0.545 ' O ' ' HB2' ' B' ' 44' ' ' ARG . 77.6 m-20 -63.16 -37.45 87.26 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' B' ' 37' ' ' ALA . 38.0 mtm105 -76.82 -49.73 15.12 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -179.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 1.187 ' O ' ' CB ' ' B' ' 46' ' ' ARG . 39.1 mmt180 -56.16 -46.45 79.31 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 178.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -64.05 -30.85 71.89 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 1.145 ' NH2' ' O4 ' ' A' ' 45' ' ' ' U' . 22.0 tpp180 -70.36 -70.97 0.26 Allowed 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' TRP . . . . . 0.636 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 23.1 t90 -57.58 -39.93 77.86 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 1.187 ' CB ' ' O ' ' B' ' 42' ' ' ARG . 20.1 tpt180 -55.53 -66.85 0.35 Allowed 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.805 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 88.7 tt0 -55.06 -33.09 62.43 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 174.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.636 ' HB3' ' HA ' ' B' ' 45' ' ' TRP . 74.6 ttt-85 -59.15 -45.59 90.59 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 -177.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -57.68 -33.48 68.4 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 177.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.805 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 19.2 tpp180 -64.44 -52.07 59.91 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.9 -54.17 46.01 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -176.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.545 ' O ' ' HB2' ' B' ' 55' ' ' ARG . . . -55.99 -51.71 66.76 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.45 -60.23 4.18 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.5 32.68 0.35 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.545 ' HB2' ' O ' ' B' ' 52' ' ' ALA . 54.2 ttp180 . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 179.32 . . . . . . . . 1 1 . 1 stop_ save_