data_1nyb_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 1nyb _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 ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 N--CA 1.472 0.638 0 CA-C-O 122.113 0.958 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.08 -29.38 70.25 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.845 -0.534 . . . . 0.0 112.423 176.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -59.59 -53.17 61.22 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.303 1.041 . . . . 0.0 112.505 174.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.7 m -73.04 -32.03 64.81 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -65.23 -43.73 90.53 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.369 -0.832 . . . . 0.0 112.293 166.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -60.84 -39.24 88.32 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.574 0.625 . . . . 0.0 111.822 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -58.93 -42.94 90.92 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.49 1.116 . . . . 0.0 112.827 171.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.34 99.02 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.557 -0.715 . . . . 0.0 111.735 170.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -62.26 -39.1 91.76 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.833 1.253 . . . . 0.0 112.878 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -59.99 -49.24 78.46 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.973 1.709 . . . . 0.0 110.65 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 173.729 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.7 p . . . . . 0 N--CA 1.477 0.902 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.49 -29.48 69.09 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.458 -0.777 . . . . 0.0 112.527 167.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -61.92 -50.49 71.97 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.353 1.061 . . . . 0.0 112.071 169.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.9 m -59.86 -39.51 85.45 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.227 1.011 . . . . 0.0 111.892 176.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -67.72 -37.23 81.94 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.364 1.466 . . . . 0.0 113.059 173.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -70.41 -39.0 74.72 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.077 -1.014 . . . . 0.0 112.556 175.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -53.38 -47.43 69.48 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.585 1.154 . . . . 0.0 111.889 169.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.47 -46.13 87.24 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.158 0.583 . . . . 0.0 112.533 173.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -67.57 -30.82 70.55 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -62.41 -46.29 89.26 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.246 1.418 . . . . 0.0 111.322 168.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.853 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 174.746 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.481 1.12 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.26 -37.84 70.34 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 120.729 -1.232 . . . . 0.0 112.688 170.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -61.59 -46.31 90.4 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.244 1.418 . . . . 0.0 111.46 172.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.3 m -60.79 -48.14 83.13 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.578 1.551 . . . . 0.0 112.241 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -59.74 -46.72 88.26 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.796 1.638 . . . . 0.0 111.767 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -57.93 -50.0 74.86 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.898 0.879 . . . . 0.0 112.223 172.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -59.75 -40.69 88.96 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.15 0.887 . . . . 0.0 112.529 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.97 -46.95 88.68 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.811 0.844 . . . . 0.0 112.268 171.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.3 ttp85 -61.19 -37.68 83.8 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.252 1.421 . . . . 0.0 113.373 175.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -59.11 -52.06 67.33 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.77 1.228 . . . . 0.0 111.171 168.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.795 0 C-N-CA 124.23 1.012 . . . . 0.0 113.215 176.381 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.2 p . . . . . 0 N--CA 1.476 0.841 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.32 -41.06 79.21 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.374 0.669 . . . . 0.0 112.147 174.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -62.03 -49.33 76.44 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.908 0.883 . . . . 0.0 112.249 173.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.5 m -63.96 -43.05 96.94 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.428 0.691 . . . . 0.0 112.232 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -69.39 -33.32 72.85 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.282 1.033 . . . . 0.0 113.202 175.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -66.32 -41.48 89.62 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.282 0.946 . . . . 0.0 112.531 169.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -61.83 -25.91 67.8 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.319 1.048 . . . . 0.0 113.571 177.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.36 96.46 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.369 -0.832 . . . . 0.0 112.306 167.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -60.32 -45.04 94.83 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.954 1.302 . . . . 0.0 111.31 174.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -56.77 -52.33 65.45 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.353 1.461 . . . . 0.0 111.769 173.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 124.308 1.043 . . . . 0.0 112.722 178.549 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.6 p . . . . . 0 N--CA 1.476 0.859 0 CA-C-O 121.174 0.511 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.26 -29.56 70.5 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.397 -0.815 . . . . 0.0 112.299 170.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -58.23 -55.96 28.24 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.488 1.515 . . . . 0.0 111.565 169.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.2 t -61.36 -44.13 97.69 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.312 1.045 . . . . 0.0 112.242 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.2 ttp85 -60.47 -43.55 96.81 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.487 1.515 . . . . 0.0 112.833 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -62.5 -48.26 80.32 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.192 0.997 . . . . 0.0 112.162 169.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -57.45 -37.99 73.73 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.832 0.853 . . . . 0.0 112.775 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.48 -52.35 65.99 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.07 0.85 . . . . 0.0 112.003 171.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -56.19 -43.88 78.88 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.961 1.304 . . . . 0.0 112.347 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -58.21 -62.02 2.14 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.47 1.908 . . . . 0.0 111.397 175.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.659 0 C-N-CA 126.101 1.76 . . . . 0.0 113.968 -174.308 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.2 p . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.59 -40.42 62.64 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.805 1.242 . . . . 0.0 113.529 172.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -63.85 -50.03 70.47 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.852 0.861 . . . . 0.0 112.275 172.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.7 m -57.48 -47.08 82.84 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.243 1.017 . . . . 0.0 111.622 178.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -55.35 -53.03 61.26 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 128.51 2.724 . . . . 0.0 112.123 174.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -65.62 -43.19 90.31 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -59.56 -42.67 92.96 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.829 0.851 . . . . 0.0 111.682 175.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.28 92.93 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.734 0.814 . . . . 0.0 112.572 170.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -55.91 -46.48 78.4 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.417 1.087 . . . . 0.0 112.188 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -61.25 -50.26 73.77 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.188 1.395 . . . . 0.0 111.954 173.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.69 0 C-N-CA 124.909 1.283 . . . . 0.0 113.965 -178.222 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.2 p . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 121.896 0.855 . . . . 0.0 113.048 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.49 -34.0 66.52 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -173.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -56.22 -56.55 19.6 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.294 1.038 . . . . 0.0 111.916 171.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.2 m -59.61 -39.46 84.32 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.817 1.247 . . . . 0.0 112.873 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.5 mtm-85 -64.1 -50.6 67.65 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.779 0.832 . . . . 0.0 111.833 174.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -65.53 -36.31 83.45 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -177.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -51.03 -45.77 61.38 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.19 1.396 . . . . 0.0 111.99 170.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.02 -48.06 66.74 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.404 0.682 . . . . 0.0 112.363 173.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -61.29 -32.27 72.11 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -55.12 -44.73 75.27 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.223 1.374 . . . . 0.0 112.856 174.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.785 0 C-N-CA 123.631 0.772 . . . . 0.0 112.876 178.128 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.5 p . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.41 -35.41 65.33 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.25 -0.906 . . . . 0.0 112.736 166.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -72.19 -40.5 67.84 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.251 1.02 . . . . 0.0 111.948 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 m -61.22 -44.16 97.71 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.371 1.068 . . . . 0.0 111.961 171.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -61.3 -41.62 97.28 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.815 1.646 . . . . 0.0 112.146 174.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -67.02 -40.53 87.28 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 173.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -56.15 -45.75 79.53 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.264 -0.897 . . . . 0.0 111.184 169.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.41 93.97 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.486 0.715 . . . . 0.0 112.639 173.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -53.32 -47.92 68.89 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.801 1.64 . . . . 0.0 112.061 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.2 mtp85 -61.9 -54.46 41.67 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.405 1.482 . . . . 0.0 112.301 171.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.696 0 C-N-CA 124.738 1.215 . . . . 0.0 113.7 -176.178 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.6 p . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.09 -37.22 53.32 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.969 1.708 . . . . 0.0 114.267 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -66.17 -41.08 90.79 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.3 m -68.17 -43.35 78.37 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.614 0.766 . . . . 0.0 112.209 172.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.6 mtm105 -54.59 -51.29 65.76 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.074 0.95 . . . . 0.0 111.274 173.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -70.19 -37.98 75.22 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -59.05 -39.35 81.77 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.163 -0.961 . . . . 0.0 111.687 173.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.6 94.85 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 171.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.6 mmm-85 -61.42 -45.58 93.72 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 121.011 -1.056 . . . . 0.0 112.472 172.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -66.6 -26.49 67.12 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.501 1.12 . . . . 0.0 113.521 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.674 0 C-N-CA 123.769 0.827 . . . . 0.0 111.921 167.614 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.21 -47.3 28.91 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 120.865 -1.147 . . . . 0.0 112.145 159.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -47.6 -50.84 23.08 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.864 1.666 . . . . 0.0 113.603 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.6 p -51.64 -48.54 63.3 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.113 1.765 . . . . 0.0 112.9 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -72.61 -38.96 67.65 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.321 1.848 . . . . 0.0 113.66 173.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -63.8 -27.28 69.07 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.497 1.519 . . . . 0.0 112.392 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -56.23 -39.54 72.7 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.887 1.275 . . . . 0.0 112.664 168.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.7 -40.24 73.0 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.113 -0.992 . . . . 0.0 112.514 171.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -57.36 -44.46 84.4 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.883 1.273 . . . . 0.0 112.14 175.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -59.97 -48.29 82.32 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 127.205 2.202 . . . . 0.0 112.757 171.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.771 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -176.819 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.7 83.14 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.662 0.785 . . . . 0.0 112.046 174.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -63.65 -37.16 86.3 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.353 1.061 . . . . 0.0 113.166 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.6 t -76.86 -33.13 57.89 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.956 0.798 . . . . 0.0 113.03 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -64.74 -40.06 94.69 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 120.694 -1.254 . . . . 0.0 112.092 169.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -58.38 -46.95 85.35 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.186 1.394 . . . . 0.0 112.088 166.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -57.39 -31.43 65.8 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.19 -58.64 4.96 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 118.888 0.767 . . . . 0.0 111.742 169.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -48.47 -41.63 30.29 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 127.162 2.185 . . . . 0.0 113.25 174.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -51.7 -55.39 19.84 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.421 1.888 . . . . 0.0 112.542 174.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.893 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 179.403 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 121.171 0.51 . . . . 0.0 112.181 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.23 85.9 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.679 -0.638 . . . . 0.0 111.736 176.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -62.04 -47.17 85.93 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.514 1.126 . . . . 0.0 111.974 175.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.7 m -63.94 -47.44 80.47 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.314 1.046 . . . . 0.0 112.734 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 -64.85 -40.44 95.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.744 0.818 . . . . 0.0 112.736 177.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -63.78 -24.0 67.59 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -61.28 -18.98 61.15 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.495 -1.378 . . . . 0.0 114.206 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.3 -43.07 98.88 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 121.276 -0.89 . . . . 0.0 112.483 166.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -42.93 96.85 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.737 1.615 . . . . 0.0 110.969 173.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -57.65 -52.06 66.97 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.408 1.083 . . . . 0.0 112.469 171.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.765 0 C-N-CA 123.658 0.783 . . . . 0.0 112.811 179.226 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.4 p . . . . . 0 N--CA 1.475 0.798 0 CA-C-O 121.416 0.627 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.31 -33.59 76.08 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.213 -0.929 . . . . 0.0 113.018 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -58.31 -31.71 67.78 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.807 1.243 . . . . 0.0 113.376 169.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.0 m -79.54 -51.67 9.0 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.934 1.293 . . . . 0.0 111.957 172.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.9 mtp85 -54.5 -35.65 63.34 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 126.168 1.787 . . . . 0.0 113.188 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -61.17 -28.63 69.27 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -58.36 -42.77 87.67 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.142 0.883 . . . . 0.0 111.497 174.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.13 95.99 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.012 0.525 . . . . 0.0 111.923 174.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.8 mtm-85 -62.42 -41.89 99.04 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.371 1.069 . . . . 0.0 112.932 177.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -66.93 -44.39 80.8 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.813 1.245 . . . . 0.0 112.957 172.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.698 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -176.018 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.4 p . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.02 -41.2 11.63 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.571 1.548 . . . . 0.0 115.002 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -64.05 -57.4 9.76 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 118.873 0.76 . . . . 0.0 111.988 -178.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.3 p -65.53 -36.06 82.71 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.5 ttp-105 -60.43 -46.79 88.75 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.302 1.441 . . . . 0.0 112.04 172.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -62.59 -43.11 99.63 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.772 0.714 . . . . 0.0 112.136 177.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -54.56 -50.23 68.47 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.914 0.886 . . . . 0.0 111.817 170.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.17 -45.31 87.72 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.603 0.761 . . . . 0.0 112.829 175.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.4 mtp85 -58.88 -51.76 68.64 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.767 1.227 . . . . 0.0 112.441 175.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.1 mtm105 -56.41 -39.82 73.68 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.142 0.977 . . . . 0.0 112.624 175.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.7 0 C-N-CA 124.945 1.298 . . . . 0.0 112.803 178.477 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.8 p . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.72 -40.55 75.9 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.421 -0.8 . . . . 0.0 111.672 171.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -64.32 -41.66 96.7 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.954 1.302 . . . . 0.0 112.504 175.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.6 m -62.68 -47.17 84.83 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.187 0.995 . . . . 0.0 111.901 175.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.5 mtm180 -68.34 -32.73 73.05 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.314 1.046 . . . . 0.0 112.968 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -62.47 -25.33 67.93 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 174.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -58.15 -29.19 65.38 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 120.846 -1.159 . . . . 0.0 113.407 174.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.8 -48.93 22.73 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.575 0.75 . . . . 0.0 111.854 167.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -61.36 -22.98 65.44 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 126.104 1.762 . . . . 0.0 114.523 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -46.8 -53.13 12.63 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.811 1.644 . . . . 0.0 111.861 166.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.721 0 C-N-CA 123.537 0.735 . . . . 0.0 112.88 179.222 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 110.729 -0.1 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 2.4 0.9 OUTLIER -68.58 15.3 0.06 Allowed 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 119.074 2.99 . . . . 0.0 119.074 -136.834 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -68.05 110.88 4.14 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.671 1.588 . . . . 0.0 110.075 168.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.33 3.4 47.69 Favored Glycine 0 CA--C 1.535 1.319 0 O-C-N 121.554 -0.716 . . . . 0.0 112.64 156.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.4 p -60.35 156.45 15.74 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.225 1.512 . . . . 0.0 112.547 -177.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.08 -29.38 70.25 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.845 -0.534 . . . . 0.0 112.423 176.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -59.59 -53.17 61.22 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.303 1.041 . . . . 0.0 112.505 174.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.7 m -73.04 -32.03 64.81 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -65.23 -43.73 90.53 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.369 -0.832 . . . . 0.0 112.293 166.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -60.84 -39.24 88.32 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.574 0.625 . . . . 0.0 111.822 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -58.93 -42.94 90.92 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.49 1.116 . . . . 0.0 112.827 171.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.34 99.02 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.557 -0.715 . . . . 0.0 111.735 170.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -62.26 -39.1 91.76 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.833 1.253 . . . . 0.0 112.878 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -59.99 -49.24 78.46 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.973 1.709 . . . . 0.0 110.65 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.48 -37.79 76.26 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 173.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -68.46 -38.66 81.31 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.962 -1.086 . . . . 0.0 112.806 171.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.14 -30.36 71.53 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.137 -0.977 . . . . 0.0 111.813 169.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.7 mt -67.79 -22.26 28.03 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 O-C-N 120.183 -1.573 . . . . 0.0 111.703 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.11 -4.9 57.87 Favored 'General case' 0 CA--C 1.555 1.171 0 N-CA-C 114.565 1.321 . . . . 0.0 114.565 165.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -134.54 9.66 3.69 Favored 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 116.411 2.004 . . . . 0.0 116.411 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -32.94 -83.49 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 129.318 3.047 . . . . 0.0 114.286 -173.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.3 mtt85 . . . . . 0 C--O 1.253 1.288 0 C-N-CA 131.499 3.92 . . . . 0.0 114.028 146.528 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 1 C3'-C2'-C1' 105.222 4.136 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C4'-C3'-C2' 98.8 -3.9 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . 0.431 HO2' " H5'" ' B' ' 4' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.262 2 O4'-C1'-N19 113.064 4.864 . 0.716 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . 0.431 " H5'" HO2' ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.042 1 O4'-C1'-N19 112.398 4.198 . 0.577 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.187 1 C5'-C4'-C3' 109.102 -4.265 . 0.562 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.279 0 C5'-C4'-O4' 113.825 3.304 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.218 1 C5'-C4'-C3' 107.373 -5.418 . 0.403 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.443 0 O4'-C1'-N19 112.19 3.99 . 0.119 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.364 0 C5'-C4'-C3' 110.055 -3.63 . 0.286 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 2 C5'-C4'-C3' 108.702 -4.532 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.808 0 C1'-O4'-C4' 107.315 -2.538 . 0.502 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 C4'-C3'-C2' 99.808 -2.892 . 0.639 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.471 0 C4'-C3'-C2' 99.72 -2.98 . 0.232 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.981 0 O4'-C1'-N19 111.763 3.563 . 0.727 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.07 0 O4'-C1'-N19 111.937 3.737 . 0.264 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.982 0 C5'-C4'-C3' 110.729 -3.18 . 0.516 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.319 0 C4'-C3'-C2' 99.773 -2.927 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.291 1 C5'-C4'-C3' 109.14 -4.24 . 0.656 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.263 2 O4'-C1'-N19 113.083 4.883 . 0.468 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.196 0 C4'-C3'-C2' 99.14 -3.56 . 0.48 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 1 C4'-C3'-C2' 98.351 -4.349 . 0.411 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.291 0 C5'-C4'-C3' 110.223 -3.518 . 0.411 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.304 0 C4'-C3'-C2' 99.147 -3.553 . 0.476 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 1 O4'-C1'-N19 112.436 4.236 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.867 0.365 . . . . 0.0 110.565 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.0 m -69.68 -7.53 39.96 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.729 1.752 . . . . 0.0 115.729 -174.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -67.42 27.09 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 128.811 2.844 . . . . 0.0 116.344 -172.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.7 8.43 63.79 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 126.362 1.934 . . . . 0.0 114.273 169.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.7 p -61.63 162.34 8.56 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.71 1.604 . . . . 0.0 114.163 -174.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.49 -29.48 69.09 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.458 -0.777 . . . . 0.0 112.527 167.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -61.92 -50.49 71.97 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.353 1.061 . . . . 0.0 112.071 169.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.9 m -59.86 -39.51 85.45 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.227 1.011 . . . . 0.0 111.892 176.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -67.72 -37.23 81.94 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.364 1.466 . . . . 0.0 113.059 173.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -70.41 -39.0 74.72 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.077 -1.014 . . . . 0.0 112.556 175.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -53.38 -47.43 69.48 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.585 1.154 . . . . 0.0 111.889 169.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.47 -46.13 87.24 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.158 0.583 . . . . 0.0 112.533 173.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -67.57 -30.82 70.55 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -62.41 -46.29 89.26 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.246 1.418 . . . . 0.0 111.322 168.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.28 80.04 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -67.07 -45.32 77.71 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.72 0.808 . . . . 0.0 112.569 170.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.83 -32.26 69.24 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.014 1.325 . . . . 0.0 112.931 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 58.5 mt -64.0 -16.13 18.21 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 125.343 1.457 . . . . 0.0 113.223 174.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.66 -20.54 33.4 Favored 'General case' 0 CA--C 1.55 0.963 0 O-C-N 120.709 -1.244 . . . . 0.0 113.684 167.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -97.89 -36.48 10.15 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.435 1.494 . . . . 0.0 112.954 -177.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 56.67 22.72 7.06 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 127.772 2.429 . . . . 0.0 115.671 172.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.669 1.988 . . . . 0.0 112.814 175.406 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.579 0 C3'-C2'-C1' 103.545 2.272 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.555 1 O5'-C5'-C4' 116.022 4.159 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 1 O4'-C1'-N19 112.397 4.197 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 1 O4'-C1'-N19 112.244 4.044 . 0.715 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.022 0 O4'-C1'-N19 111.431 3.231 . 0.899 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 C4'-C3'-C2' 99.598 -3.102 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.088 0 C5'-C4'-C3' 110.07 -3.62 . 0.867 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.208 1 C5'-C4'-C3' 109.498 -4.001 . 0.424 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.063 0 O4'-C1'-N19 111.801 3.601 . 0.197 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.3 0 O4'-C1'-N19 110.74 2.54 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 100.33 -2.37 . 0.553 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.193 0 C4'-C3'-C2' 100.469 -2.231 . 0.43 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.844 0 C4'-C3'-C2' 99.314 -3.386 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.939 0 O4'-C1'-N19 111.993 3.793 . 0.898 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.984 1 O4'-C1'-N19 112.316 4.116 . 0.264 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.184 0 C5'-C4'-C3' 110.615 -3.257 . 0.678 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.016 0 C5'-C4'-C3' 109.903 -3.731 . 0.919 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.387 0 C4'-C3'-C2' 99.246 -3.454 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.997 0 C5'-C4'-C3' 110.535 -3.31 . 0.857 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.165 0 C4'-C3'-C2' 99.678 -3.022 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.352 0 C4'-C3'-C2' 99.486 -3.214 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 0 C5'-C4'-C3' 110.582 -3.278 . 0.753 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 1 O4'-C1'-N19 112.598 4.398 . 0.56 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 1 O5'-C5'-C4' 115.948 4.105 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 110.594 -0.15 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t -79.46 46.28 0.73 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.198 1.399 . . . . 0.0 113.171 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -72.07 167.92 19.21 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.462 1.505 . . . . 0.0 112.946 175.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.13 33.97 1.45 Allowed Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.32 1.438 . . . . 0.0 114.576 -170.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.3 p -67.71 172.75 4.91 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.795 1.238 . . . . 0.0 112.277 175.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.26 -37.84 70.34 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 120.729 -1.232 . . . . 0.0 112.688 170.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -61.59 -46.31 90.4 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.244 1.418 . . . . 0.0 111.46 172.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.3 m -60.79 -48.14 83.13 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.578 1.551 . . . . 0.0 112.241 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -59.74 -46.72 88.26 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.796 1.638 . . . . 0.0 111.767 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -57.93 -50.0 74.86 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.898 0.879 . . . . 0.0 112.223 172.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -59.75 -40.69 88.96 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.15 0.887 . . . . 0.0 112.529 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.97 -46.95 88.68 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.811 0.844 . . . . 0.0 112.268 171.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.3 ttp85 -61.19 -37.68 83.8 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.252 1.421 . . . . 0.0 113.373 175.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -59.11 -52.06 67.33 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.77 1.228 . . . . 0.0 111.171 168.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.02 81.28 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.23 1.012 . . . . 0.0 113.215 176.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -61.86 -35.41 78.21 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.15 -0.969 . . . . 0.0 112.856 173.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.2 tt -69.43 -51.6 34.75 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.956 0.902 . . . . 0.0 111.95 173.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 pt -67.46 -15.18 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.53 -14.81 62.66 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 166.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -125.89 -19.27 4.89 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.095 1.758 . . . . 0.0 113.481 -176.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 51.28 51.13 17.54 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.376 2.271 . . . . 0.0 112.611 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 . . . . . 0 C--O 1.253 1.287 0 C-N-CA 127.01 2.124 . . . . 0.0 113.111 179.334 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.553 0 C4'-C3'-C2' 100.271 -2.429 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.08 0 C4'-C3'-C2' 99.483 -3.217 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.121 1 O4'-C1'-N19 112.469 4.269 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.218 0 O4'-C1'-N19 112.094 3.894 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.062 0 C5'-C4'-C3' 110.807 -3.129 . 0.874 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.175 0 C4'-C3'-C2' 99.657 -3.043 . 0.869 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.023 1 C5'-C4'-C3' 109.038 -4.308 . 0.821 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.385 0 O4'-C1'-N19 111.039 2.839 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 1 C5'-C4'-C3' 108.435 -4.71 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 O4'-C1'-N19 111.768 3.568 . 0.916 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 O4'-C1'-N19 111.905 3.705 . 0.286 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C4'-C3'-C2' 100.174 -2.526 . 0.353 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.504 0 C5'-C4'-C3' 111.606 -2.596 . 0.055 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.074 0 O4'-C1'-N19 111.268 3.068 . 0.891 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.068 0 O4'-C1'-N19 112.116 3.916 . 0.47 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.903 0 C5'-C4'-C3' 111.073 -2.952 . 0.528 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.306 0 C4'-C3'-C2' 100.275 -2.425 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 C5'-C4'-C3' 110.938 -3.042 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 0 O4'-C1'-N19 112.083 3.883 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.344 0 C4'-C3'-C2' 100.037 -2.663 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.192 0 C5'-C4'-C3' 110.237 -3.509 . 0.869 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 C5'-C4'-C3' 110.35 -3.433 . 0.857 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.094 0 O4'-C1'-N19 111.648 3.448 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.366 0 O4'-C1'-N19 111.424 3.224 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 120.645 0.26 . . . . 0.0 111.599 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 m -71.03 -20.63 62.36 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -92.4 -77.87 0.43 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.602 1.561 . . . . 0.0 112.323 -176.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.66 4.11 69.46 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.211 1.386 . . . . 0.0 115.376 -176.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.2 p -68.02 163.58 21.99 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 119.054 1.427 . . . . 0.0 112.433 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.32 -41.06 79.21 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.374 0.669 . . . . 0.0 112.147 174.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -62.03 -49.33 76.44 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.908 0.883 . . . . 0.0 112.249 173.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.5 m -63.96 -43.05 96.94 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.428 0.691 . . . . 0.0 112.232 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -69.39 -33.32 72.85 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.282 1.033 . . . . 0.0 113.202 175.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -66.32 -41.48 89.62 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.282 0.946 . . . . 0.0 112.531 169.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -61.83 -25.91 67.8 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.319 1.048 . . . . 0.0 113.571 177.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.36 96.46 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.369 -0.832 . . . . 0.0 112.306 167.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -60.32 -45.04 94.83 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.954 1.302 . . . . 0.0 111.31 174.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -56.77 -52.33 65.45 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.353 1.461 . . . . 0.0 111.769 173.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.5 -44.31 89.39 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.308 1.043 . . . . 0.0 112.722 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.31 -43.85 95.96 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.88 0.872 . . . . 0.0 112.419 174.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.5 tp -61.71 -46.47 89.53 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.665 0.786 . . . . 0.0 112.306 174.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 63.9 mt -63.59 -23.36 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.864 1.666 . . . . 0.0 112.835 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.99 -50.17 10.78 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.823 1.249 . . . . 0.0 112.332 166.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -64.34 -32.92 74.72 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.202 1.401 . . . . 0.0 114.072 -175.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -65.0 -17.05 64.1 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.372 1.869 . . . . 0.0 113.201 -171.035 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.372 0 C4'-C3'-O3' 116.612 2.312 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 1 O4'-C1'-N19 112.602 4.402 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 O4'-C1'-N19 111.141 2.941 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.192 1 O4'-C1'-N19 112.247 4.047 . 0.709 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.054 0 O4'-C1'-N19 111.831 3.631 . 0.83 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.469 1 C5'-C4'-C3' 109.449 -4.034 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.122 1 C5'-C4'-C3' 108.28 -4.814 . 0.806 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.966 0 C3'-C2'-C1' 104.95 3.834 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.049 0 O4'-C1'-N19 111.812 3.612 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.327 0 O4'-C1'-N19 111.413 3.213 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.342 1 C2'-C3'-O3' 122.656 4.163 OUTLIER-EPSILON 0.209 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.183 1 P-O3'-C3' 125.637 4.948 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.537 1 C4'-C3'-C2' 98.204 -4.496 . 0.281 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.117 0 O4'-C1'-N19 112.155 3.955 . 0.492 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.159 1 O4'-C1'-N19 112.494 4.294 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.908 0 C5'-C4'-C3' 110.269 -3.487 . 0.522 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.197 0 C4'-C3'-C2' 100.388 -2.312 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.401 0 C5'-C4'-C3' 110.038 -3.641 . 0.826 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.935 1 C5'-C4'-C3' 108.558 -4.628 . 0.871 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 C4'-C3'-C2' 99.205 -3.495 . 0.878 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.299 0 C4'-C3'-C2' 99.196 -3.504 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 C5'-C4'-C3' 111.364 -2.757 . 0.762 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.078 0 O4'-C1'-N19 111.37 3.17 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.44 0 O4'-C1'-N19 111.524 3.324 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 119.549 -0.262 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.6 m -50.65 -45.45 57.87 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.323 1.449 . . . . 0.0 114.263 -173.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.21 -11.66 61.05 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.028 1.731 . . . . 0.0 114.292 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -106.71 -1.04 36.89 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 126.624 2.059 . . . . 0.0 114.24 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.6 p -59.71 154.34 18.23 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 118.627 1.213 . . . . 0.0 111.764 175.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.26 -29.56 70.5 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.397 -0.815 . . . . 0.0 112.299 170.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -58.23 -55.96 28.24 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.488 1.515 . . . . 0.0 111.565 169.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.2 t -61.36 -44.13 97.69 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.312 1.045 . . . . 0.0 112.242 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.2 ttp85 -60.47 -43.55 96.81 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.487 1.515 . . . . 0.0 112.833 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -62.5 -48.26 80.32 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.192 0.997 . . . . 0.0 112.162 169.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -57.45 -37.99 73.73 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.832 0.853 . . . . 0.0 112.775 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.48 -52.35 65.99 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.07 0.85 . . . . 0.0 112.003 171.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -56.19 -43.88 78.88 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.961 1.304 . . . . 0.0 112.347 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -58.21 -62.02 2.14 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.47 1.908 . . . . 0.0 111.397 175.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.46 -38.59 69.28 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.101 1.76 . . . . 0.0 113.968 -174.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -63.5 -26.1 68.56 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.7 tp -67.49 -33.68 75.6 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.873 -1.142 . . . . 0.0 112.229 173.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.2 mp -71.73 -23.41 22.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 124.816 1.246 . . . . 0.0 111.214 175.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.72 -47.68 14.89 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.166 0.987 . . . . 0.0 112.529 169.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -72.82 -29.71 63.46 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 47.54 51.19 14.09 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 127.591 2.356 . . . . 0.0 113.62 176.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.66 1.984 . . . . 0.0 112.951 178.205 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.229 0 C4'-C3'-C2' 100.009 -2.691 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.047 0 C5'-C4'-C3' 110.984 -3.011 . 0.921 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.167 1 O4'-C1'-N19 112.569 4.369 . 0.742 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.102 0 O4'-C1'-N19 112.073 3.873 . 0.614 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 0 C5'-C4'-C3' 110.381 -3.412 . 0.786 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 C4'-C3'-C2' 99.097 -3.603 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.101 1 C5'-C4'-C3' 106.808 -5.795 . 0.869 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.126 0 C5'-C4'-C3' 110.877 -3.082 . 0.487 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.332 1 C5'-C4'-C3' 108.545 -4.637 . 0.747 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.38 0 C5'-C4'-C3' 110.262 -3.492 . 0.897 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 C1'-O4'-C4' 107.465 -2.373 . 0.3 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 100.085 -2.615 . 0.422 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 C4'-C3'-C2' 99.912 -2.788 . 0.48 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.961 0 C5'-C4'-C3' 110.221 -3.519 . 0.771 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.137 0 O4'-C1'-N19 111.848 3.648 . 0.403 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.977 0 C5'-C4'-C3' 111.296 -2.803 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.065 0 C4'-C3'-C2' 99.52 -3.18 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.352 0 O4'-C1'-N19 111.388 3.188 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 1 O4'-C1'-N19 114.836 6.636 OUTLIER-EPSILON 0.727 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.264 1 P-O3'-C3' 126.184 5.403 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.233 0 C5'-C4'-C3' 110.649 -3.234 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.137 0 C5'-C4'-C3' 110.665 -3.223 . 0.817 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.178 0 O4'-C1'-N19 111.501 3.301 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.241 0 O4'-C1'-N19 111.179 2.979 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 120.84 0.352 . . . . 0.0 111.88 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -135.78 -177.22 4.58 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.846 1.658 . . . . 0.0 111.37 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -61.83 -26.93 68.41 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.406 2.282 . . . . 0.0 114.02 -171.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.3 7.42 88.55 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 125.182 1.372 . . . . 0.0 114.873 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.2 p -68.0 170.7 7.86 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.847 1.659 . . . . 0.0 112.92 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.59 -40.42 62.64 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.805 1.242 . . . . 0.0 113.529 172.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -63.85 -50.03 70.47 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.852 0.861 . . . . 0.0 112.275 172.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.7 m -57.48 -47.08 82.84 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.243 1.017 . . . . 0.0 111.622 178.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -55.35 -53.03 61.26 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 128.51 2.724 . . . . 0.0 112.123 174.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -65.62 -43.19 90.31 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -59.56 -42.67 92.96 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.829 0.851 . . . . 0.0 111.682 175.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.28 92.93 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.734 0.814 . . . . 0.0 112.572 170.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -55.91 -46.48 78.4 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.417 1.087 . . . . 0.0 112.188 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -61.25 -50.26 73.77 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.188 1.395 . . . . 0.0 111.954 173.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.93 91.56 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.909 1.283 . . . . 0.0 113.965 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -63.95 -21.98 66.72 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -175.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.62 -32.12 73.08 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.93 0.892 . . . . 0.0 112.799 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.0 mp -66.28 -17.8 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.992 1.317 . . . . 0.0 112.323 -175.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.76 -16.43 62.75 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 171.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -129.02 -37.43 1.7 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.91 1.284 . . . . 0.0 114.084 -177.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 59.99 15.56 5.15 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 127.339 2.256 . . . . 0.0 115.156 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 . . . . . 0 C--O 1.253 1.277 0 C-N-CA 128.248 2.619 . . . . 0.0 112.898 179.443 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . 0.422 " H2'" ' N3 ' ' B' ' 1' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.545 2.675 1 C3'-C2'-C1' 105.641 4.601 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.236 2 O4'-C1'-N19 114.696 6.496 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.546 0 C5'-C4'-C3' 110.558 -3.295 . 0.01 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.052 2 O4'-C1'-N19 112.714 4.514 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.902 2 O4'-C1'-N19 112.553 4.353 . 0.362 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.919 0 C4'-C3'-C2' 99.05 -3.65 . 0.413 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.076 0 O4'-C1'-N19 112.137 3.937 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.335 0 C5'-C4'-C3' 111.263 -2.825 . 0.885 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.363 0 O4'-C1'-N19 111.406 3.206 . 0.321 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.318 2 C5'-C4'-C3' 108.41 -4.727 . 0.621 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.806 0 O4'-C1'-N19 111.9 3.7 . 0.124 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.383 0 C4'-C3'-C2' 100.413 -2.287 . 0.443 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.401 0 C5'-C4'-C3' 111.074 -2.951 . 0.478 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.141 0 O4'-C1'-N19 111.115 2.915 . 0.813 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.05 0 O4'-C1'-N19 112.173 3.973 . 0.202 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.09 0 C5'-C4'-C3' 111.396 -2.736 . 0.134 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.242 1 C5'-C4'-C3' 108.421 -4.719 . 0.748 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C5'-C4'-C3' 111.229 -2.848 . 0.318 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.88 0 C5'-C4'-O4' 114.48 3.771 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.052 0 C4'-C3'-C2' 99.148 -3.552 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.087 0 C4'-C3'-C2' 99.46 -3.24 . 0.64 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.073 0 C5'-C4'-C3' 110.429 -3.381 . 0.646 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.07 0 O4'-C1'-N19 111.831 3.631 . 0.656 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.21 0 O4'-C1'-N19 112.085 3.885 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.671 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 t -136.64 -6.0 1.96 Allowed 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 -168.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -69.39 154.63 41.73 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.602 1.092 . . . . 0.0 112.225 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -100.62 15.06 58.87 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 126.553 2.025 . . . . 0.0 114.269 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.2 p -63.99 164.64 10.14 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.25 1.82 . . . . 0.0 113.048 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.49 -34.0 66.52 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -173.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -56.22 -56.55 19.6 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.294 1.038 . . . . 0.0 111.916 171.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.2 m -59.61 -39.46 84.32 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.817 1.247 . . . . 0.0 112.873 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.5 mtm-85 -64.1 -50.6 67.65 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.779 0.832 . . . . 0.0 111.833 174.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -65.53 -36.31 83.45 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -177.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -51.03 -45.77 61.38 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.19 1.396 . . . . 0.0 111.99 170.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.02 -48.06 66.74 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.404 0.682 . . . . 0.0 112.363 173.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -61.29 -32.27 72.11 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -55.12 -44.73 75.27 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.223 1.374 . . . . 0.0 112.856 174.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.7 -36.73 79.52 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.631 0.772 . . . . 0.0 112.876 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -73.7 -45.36 52.81 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.338 1.055 . . . . 0.0 111.954 173.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.8 tp -58.74 -31.68 68.54 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.901 1.681 . . . . 0.0 113.428 -177.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 53.5 mt -58.0 -23.06 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.938 1.295 . . . . 0.0 113.129 176.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.41 -18.83 63.79 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 171.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -114.97 -27.05 7.5 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.945 1.698 . . . . 0.0 113.323 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.255 14.4 ptp180 37.63 52.42 1.36 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 129.022 2.929 . . . . 0.0 114.197 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 127.913 2.485 . . . . 0.0 112.929 178.882 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.478 0 O4'-C1'-N19 110.468 2.268 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 0 C4'-C3'-C2' 99.572 -3.128 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.129 1 O4'-C1'-N19 112.57 4.37 . 0.8 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.342 1 O4'-C1'-N19 112.261 4.061 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.913 0 O4'-C1'-N19 111.518 3.318 . 0.835 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 1 C4'-C3'-C2' 98.548 -4.152 . 0.543 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.129 1 O4'-C1'-N19 112.52 4.32 . 0.3 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.306 0 O5'-C5'-C4' 113.528 2.377 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.157 0 O4'-C1'-N19 111.609 3.409 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.498 0 O4'-C1'-N19 110.551 2.351 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 C4'-C3'-C2' 100.059 -2.641 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 0 C5'-C4'-O4' 112.669 2.478 . 0.446 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.506 1 C5'-C4'-C3' 108.821 -4.453 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.155 1 C5'-C4'-C3' 109.01 -4.326 . 0.756 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.996 0 O4'-C1'-N19 112.136 3.936 . 0.346 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.932 0 C4'-C3'-C2' 99.178 -3.522 . 0.316 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 C4'-C3'-C2' 99.03 -3.67 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 C4'-C3'-C2' 99.185 -3.515 . 0.71 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.01 1 O4'-C1'-N19 112.644 4.444 . 0.57 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 0 C4'-C3'-C2' 99.663 -3.037 . 0.625 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.317 1 C5'-C4'-C3' 108.841 -4.44 . 0.701 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.319 0 C5'-C4'-C3' 111.19 -2.874 . 0.309 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.142 0 O4'-C1'-N19 111.678 3.478 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.353 0 O4'-C1'-N19 111.825 3.625 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.6 m 51.76 38.87 24.21 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.488 1.915 . . . . 0.0 115.242 173.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 167.74 4.31 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.283 1.433 . . . . 0.0 113.877 177.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.91 5.67 21.69 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 126.645 2.069 . . . . 0.0 114.378 -175.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.5 p -76.37 176.83 7.82 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.241 1.816 . . . . 0.0 112.983 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.41 -35.41 65.33 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.25 -0.906 . . . . 0.0 112.736 166.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -72.19 -40.5 67.84 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.251 1.02 . . . . 0.0 111.948 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 m -61.22 -44.16 97.71 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.371 1.068 . . . . 0.0 111.961 171.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -61.3 -41.62 97.28 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.815 1.646 . . . . 0.0 112.146 174.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -67.02 -40.53 87.28 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 173.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -56.15 -45.75 79.53 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.264 -0.897 . . . . 0.0 111.184 169.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.41 93.97 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.486 0.715 . . . . 0.0 112.639 173.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -53.32 -47.92 68.89 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.801 1.64 . . . . 0.0 112.061 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.2 mtp85 -61.9 -54.46 41.67 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.405 1.482 . . . . 0.0 112.301 171.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.5 -38.37 74.49 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.738 1.215 . . . . 0.0 113.7 -176.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -63.2 -47.31 83.1 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.931 0.892 . . . . 0.0 112.232 174.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.1 tp -60.06 -41.65 92.82 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.387 -0.821 . . . . 0.0 111.826 174.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.1 mt -67.58 -19.1 24.74 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 125.97 1.708 . . . . 0.0 112.766 175.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.26 -38.83 18.43 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.801 -1.187 . . . . 0.0 112.597 168.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -67.32 -42.06 84.24 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.442 1.097 . . . . 0.0 113.3 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 51.83 29.58 6.1 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 127.026 2.13 . . . . 0.0 114.768 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.4 ttt-85 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 127.213 2.205 . . . . 0.0 111.764 -175.89 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C3'-C2'-C1' 104.372 3.191 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.06 0 C5'-C4'-C3' 110.279 -3.48 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.212 1 O4'-C1'-N19 112.364 4.164 . 0.79 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.253 0 O4'-C1'-N19 112.165 3.965 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.082 0 C5'-C4'-C3' 110.522 -3.319 . 0.795 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.683 -3.017 . 0.877 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.129 0 C5'-C4'-C3' 110.983 -3.012 . 0.846 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.348 0 O4'-C1'-N19 111.551 3.351 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.014 0 O4'-C1'-N19 111.644 3.444 . 0.912 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.367 0 O4'-C1'-N19 111.687 3.487 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 100.113 -2.587 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 C5'-C4'-O4' 112.956 2.683 . 0.717 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.405 1 C4'-C3'-C2' 98.682 -4.018 . 0.34 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.466 1 O4'-C1'-N19 112.34 4.14 . 0.636 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.563 0 O4'-C1'-N19 112.172 3.972 . 0.523 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.99 0 C5'-C4'-C3' 111.595 -2.603 . 0.653 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 C4'-C3'-C2' 99.818 -2.882 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C4'-C3'-C2' 99.553 -3.147 . 0.765 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . 0.483 " H1'" ' C8 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.125 1 O4'-C1'-N19 112.405 4.205 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.483 ' C8 ' " H1'" ' B' ' 19' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.541 2.354 0 O5'-C5'-C4' 115.793 3.995 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.317 0 C5'-C4'-C3' 111.012 -2.992 . 0.49 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 0 C5'-C4'-C3' 110.486 -3.343 . 0.84 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.269 0 O4'-C1'-N19 111.428 3.228 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.301 0 O4'-C1'-N19 111.496 3.296 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.5 t -65.53 137.58 57.5 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.011 1.325 . . . . 0.0 111.855 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -72.76 -14.49 61.55 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.217 1.407 . . . . 0.0 112.657 167.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.48 6.63 85.66 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 125.494 1.521 . . . . 0.0 114.517 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.6 p -111.91 170.8 7.9 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.067 1.747 . . . . 0.0 113.188 -174.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.09 -37.22 53.32 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.969 1.708 . . . . 0.0 114.267 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -66.17 -41.08 90.79 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.3 m -68.17 -43.35 78.37 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.614 0.766 . . . . 0.0 112.209 172.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.6 mtm105 -54.59 -51.29 65.76 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.074 0.95 . . . . 0.0 111.274 173.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -70.19 -37.98 75.22 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -59.05 -39.35 81.77 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.163 -0.961 . . . . 0.0 111.687 173.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.6 94.85 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 171.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.6 mmm-85 -61.42 -45.58 93.72 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 121.011 -1.056 . . . . 0.0 112.472 172.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -66.6 -26.49 67.12 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.501 1.12 . . . . 0.0 113.521 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.31 -47.6 55.68 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.769 0.827 . . . . 0.0 111.921 167.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -62.12 -28.22 69.48 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.843 -1.161 . . . . 0.0 113.361 175.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.45 -25.47 59.72 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.623 1.569 . . . . 0.0 113.638 175.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -49.94 -41.54 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.889 1.275 . . . . 0.0 111.162 176.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.11 -14.14 15.44 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 178.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -110.28 -7.52 14.83 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.796 1.639 . . . . 0.0 113.866 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.7 -7.57 5.63 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 . . . . . 0 C--O 1.253 1.263 0 C-N-CA 125.761 1.624 . . . . 0.0 112.431 176.417 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.501 0 O4'-C1'-N19 110.362 2.162 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 C4'-C3'-C2' 99.388 -3.312 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 0 C5'-C4'-C3' 110.191 -3.539 . 0.848 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.148 1 C5'-C4'-C3' 108.427 -4.716 . 0.828 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.98 0 C5'-C4'-C3' 110.097 -3.602 OUTLIER-EPSILON 0.416 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.029 1 P-O3'-C3' 125.911 5.176 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.868 1 O4'-C1'-N19 112.935 4.735 . 0.594 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.349 0 O4'-C1'-N19 111.384 3.184 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.342 0 O4'-C1'-N19 111.823 3.623 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 O4'-C1'-N19 111.068 2.868 . 0.601 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C4'-C3'-C2' 100.19 -2.51 . 0.514 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.41 0 O4'-C4'-C3' 108.761 2.329 . 0.486 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.329 0 C5'-C4'-C3' 111.383 -2.745 . 0.649 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.193 0 C5'-C4'-C3' 110.863 -3.091 . 0.702 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.203 0 O4'-C1'-N19 111.915 3.715 . 0.199 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.136 0 C5'-C4'-C3' 111.07 -2.953 . 0.829 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 2 C3'-C2'-C1' 105.672 4.636 . 0.631 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.625 1 O4'-C1'-N19 115.845 7.645 . 0.528 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.12 1 C3'-C2'-C1' 105.926 4.918 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.36 0 C4'-C3'-C2' 99.286 -3.414 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.125 0 C4'-C3'-C2' 99.58 -3.12 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.106 0 C5'-C4'-C3' 110.533 -3.312 . 0.763 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.214 0 O4'-C1'-N19 111.591 3.391 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.221 0 O4'-C1'-N19 111.654 3.454 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 p -141.72 134.99 29.35 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.206 1.403 . . . . 0.0 111.509 174.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -132.26 -174.99 3.6 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.816 1.646 . . . . 0.0 113.263 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.18 77.97 0.69 Allowed Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.333 1.444 . . . . 0.0 114.146 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.1 p -137.76 177.81 7.59 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.653 1.981 . . . . 0.0 110.203 166.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.21 -47.3 28.91 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 120.865 -1.147 . . . . 0.0 112.145 159.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -47.6 -50.84 23.08 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.864 1.666 . . . . 0.0 113.603 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.6 p -51.64 -48.54 63.3 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.113 1.765 . . . . 0.0 112.9 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -72.61 -38.96 67.65 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.321 1.848 . . . . 0.0 113.66 173.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -63.8 -27.28 69.07 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.497 1.519 . . . . 0.0 112.392 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -56.23 -39.54 72.7 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.887 1.275 . . . . 0.0 112.664 168.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.7 -40.24 73.0 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.113 -0.992 . . . . 0.0 112.514 171.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -57.36 -44.46 84.4 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.883 1.273 . . . . 0.0 112.14 175.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -59.97 -48.29 82.32 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 127.205 2.202 . . . . 0.0 112.757 171.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.77 -32.69 65.87 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -176.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -59.92 -39.86 86.87 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.109 0.964 . . . . 0.0 113.1 176.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.4 tp -70.97 -47.38 59.24 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.173 0.989 . . . . 0.0 111.341 172.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 63.6 mt -61.53 -32.33 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.358 1.063 . . . . 0.0 112.007 -176.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.21 -28.92 67.11 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 172.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -90.59 -28.05 18.7 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.51 1.124 . . . . 0.0 112.768 171.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -67.28 -32.35 73.28 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.674 1.59 . . . . 0.0 113.129 176.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 . . . . . 0 C--O 1.253 1.24 0 C-N-CA 127.772 2.429 . . . . 0.0 113.415 179.588 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.432 0 O4'-C1'-N19 111.572 3.372 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.521 0 N19-C1'-C2' 119.8 4.0 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 O4'-C1'-N19 111.248 3.048 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.924 0 C3'-C2'-C1' 103.967 2.741 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.538 1 P-O3'-C3' 124.837 4.28 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.073 0 C5'-C4'-C3' 111.559 -2.627 . 0.675 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.417 2 C5'-C4'-C3' 108.387 -4.742 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.336 1 C5'-C4'-C3' 109.309 -4.128 . 0.68 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.376 1 C5'-C4'-C3' 108.007 -4.995 . 0.784 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 O4'-C1'-N19 111.954 3.754 . 0.745 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 C5'-C4'-C3' 112.106 -2.263 . 0.556 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.387 0 C4'-C3'-C2' 100.851 -1.849 . 0.774 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.429 -3.271 . 0.297 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.025 0 C5'-C4'-C3' 110.354 -3.431 . 0.892 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 O4'-C1'-N19 112.15 3.95 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.882 0 C5'-C4'-C3' 109.843 -3.771 . 0.172 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.17 0 C4'-C3'-C2' 99.391 -3.309 . 0.842 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 C4'-C3'-C2' 99.979 -2.721 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 1 O4'-C1'-N19 114.29 6.09 . 0.71 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.314 0 C4'-C3'-C2' 99.24 -3.46 . 0.44 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.162 1 C4'-C3'-C2' 98.587 -4.113 . 0.731 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 O5'-C5'-C4' 114.919 3.371 . 0.029 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 O4'-C1'-N19 110.81 2.61 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 O4'-C1'-N19 110.945 2.745 . 0.922 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 N--CA 1.488 1.441 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -59.35 -24.5 63.42 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -173.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -70.47 -14.76 62.67 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.358 1.463 . . . . 0.0 114.748 174.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.95 -65.89 2.54 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 126.092 1.806 . . . . 0.0 115.684 169.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.6 p -56.97 138.6 53.93 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -163.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.7 83.14 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.662 0.785 . . . . 0.0 112.046 174.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -63.65 -37.16 86.3 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.353 1.061 . . . . 0.0 113.166 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.6 t -76.86 -33.13 57.89 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.956 0.798 . . . . 0.0 113.03 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -64.74 -40.06 94.69 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 120.694 -1.254 . . . . 0.0 112.092 169.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -58.38 -46.95 85.35 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.186 1.394 . . . . 0.0 112.088 166.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -57.39 -31.43 65.8 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.19 -58.64 4.96 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 118.888 0.767 . . . . 0.0 111.742 169.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -48.47 -41.63 30.29 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 127.162 2.185 . . . . 0.0 113.25 174.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -51.7 -55.39 19.84 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.421 1.888 . . . . 0.0 112.542 174.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.1 -22.1 66.8 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -72.31 -49.79 31.93 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.077 -1.015 . . . . 0.0 111.317 168.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.7 tt -62.06 -46.44 89.1 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.785 1.634 . . . . 0.0 113.145 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.8 pp -62.28 -15.48 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.35 -20.67 65.61 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.777 0.831 . . . . 0.0 113.1 170.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -130.36 -13.98 3.82 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.936 1.695 . . . . 0.0 113.75 -177.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 42.05 59.35 2.62 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 128.0 2.52 . . . . 0.0 112.298 -169.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 128.391 2.676 . . . . 0.0 113.602 -173.725 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.317 0 C4'-C3'-C2' 99.785 -2.915 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.968 0 C5'-C4'-C3' 110.797 -3.135 . 0.91 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.403 0 O4'-C1'-N19 111.636 3.436 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.095 1 C5'-C4'-C3' 108.274 -4.817 . 0.725 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 0 C5'-C4'-C3' 110.728 -3.181 . 0.793 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.216 0 C4'-C3'-C2' 99.698 -3.002 . 0.861 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C5'-C4'-C3' 109.817 -3.789 . 0.807 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 0 O4'-C1'-N19 111.519 3.319 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.417 0 C5'-C4'-C3' 110.195 -3.537 . 0.684 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.341 1 O4'-C1'-N19 112.457 4.257 . 0.645 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 1 C5'-C4'-C3' 108.493 -4.671 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.207 1 P-O3'-C3' 125.828 5.106 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.123 1 P-O3'-C3' 124.993 4.411 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.291 0 O4'-C1'-N19 110.824 2.624 . 0.304 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 C4'-C3'-C2' 100.443 -2.257 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.29 0 C5'-C4'-C3' 111.034 -2.977 . 0.475 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.206 0 C5'-C4'-C3' 111.093 -2.938 . 0.788 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.056 0 C4'-C3'-C2' 99.065 -3.635 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.074 1 O4'-C1'-N19 113.031 4.831 . 0.669 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.107 0 O4'-C1'-N19 112.196 3.996 . 0.445 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.089 0 O5'-C5'-C4' 107.808 -1.709 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.55 0 C5'-C4'-C3' 109.519 -3.987 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.261 0 O4'-C1'-N19 111.126 2.926 . 0.465 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.379 0 O4'-C1'-N19 111.25 3.05 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 . . . . . 0 N--CA 1.487 1.413 0 N-CA-C 110.603 -0.147 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.3 m -60.45 124.62 20.88 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.897 1.279 . . . . 0.0 112.021 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -65.71 169.69 6.09 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.963 1.305 . . . . 0.0 112.211 174.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.73 -9.9 82.23 Favored Glycine 0 CA--C 1.536 1.352 0 N-CA-C 116.9 1.52 . . . . 0.0 116.9 -167.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.7 p -66.01 159.42 25.9 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.919 1.86 . . . . 0.0 112.181 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.23 85.9 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.679 -0.638 . . . . 0.0 111.736 176.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -62.04 -47.17 85.93 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.514 1.126 . . . . 0.0 111.974 175.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.7 m -63.94 -47.44 80.47 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.314 1.046 . . . . 0.0 112.734 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 -64.85 -40.44 95.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.744 0.818 . . . . 0.0 112.736 177.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -63.78 -24.0 67.59 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -61.28 -18.98 61.15 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.495 -1.378 . . . . 0.0 114.206 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.3 -43.07 98.88 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 121.276 -0.89 . . . . 0.0 112.483 166.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -42.93 96.85 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.737 1.615 . . . . 0.0 110.969 173.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -57.65 -52.06 66.97 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.408 1.083 . . . . 0.0 112.469 171.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.16 -42.45 77.04 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.658 0.783 . . . . 0.0 112.811 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -64.68 -47.78 77.14 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.686 0.794 . . . . 0.0 112.4 172.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.12 -37.19 76.62 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.209 1.004 . . . . 0.0 112.986 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 58.4 mt -67.11 -21.5 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 126.147 1.779 . . . . 0.0 112.692 175.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.34 -46.13 12.08 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.223 -0.923 . . . . 0.0 112.007 165.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -66.21 -27.9 68.34 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -176.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -67.16 -17.66 64.94 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 115.046 1.498 . . . . 0.0 115.046 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 126.603 1.961 . . . . 0.0 113.251 -169.589 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.306 0 C5'-C4'-C3' 111.469 -2.687 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.099 0 C4'-C3'-C2' 99.825 -2.875 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.166 0 O4'-C1'-N19 112.131 3.931 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.332 0 O4'-C1'-N19 111.759 3.559 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.208 0 C4'-C3'-C2' 99.657 -3.043 . 0.622 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.91 0 C5'-C4'-C3' 111.346 -2.769 . 0.949 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.296 1 O4'-C1'-N19 112.652 4.452 . 0.468 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C3'-C2'-C1' 104.679 3.532 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 O4'-C1'-N19 111.822 3.622 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.94 0 O4'-C1'-N19 111.8 3.6 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 99.688 -3.012 . 0.503 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.074 0 C5'-C4'-O4' 112.467 2.334 . 0.715 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 1 O5'-C5'-C4' 116.107 4.219 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.02 0 C5'-C4'-C3' 109.889 -3.741 . 0.544 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.127 0 O4'-C1'-N19 111.998 3.798 . 0.317 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.021 0 C5'-C4'-C3' 111.137 -2.909 . 0.227 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.118 0 C4'-C3'-C2' 99.743 -2.957 . 0.892 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.268 0 C4'-C3'-C2' 99.81 -2.89 . 0.889 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 1 O4'-C1'-N19 112.344 4.144 . 0.813 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.261 0 C4'-C3'-C2' 99.79 -2.91 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.448 0 C4'-C3'-C2' 99.77 -2.93 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.351 0 C5'-C4'-C3' 111.161 -2.893 . 0.891 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 0 O4'-C1'-N19 111.46 3.26 . 0.907 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.401 0 O4'-C1'-N19 111.668 3.468 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 N--CA 1.488 1.427 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.5 t 65.0 -51.42 0.34 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 127.691 2.396 . . . . 0.0 113.969 -166.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -132.99 173.05 11.83 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 127.954 2.502 . . . . 0.0 110.785 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -125.05 -0.74 8.15 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.122 1.344 . . . . 0.0 115.676 -176.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.4 p -73.67 156.2 38.21 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.133 1.466 . . . . 0.0 112.348 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.31 -33.59 76.08 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.213 -0.929 . . . . 0.0 113.018 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -58.31 -31.71 67.78 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.807 1.243 . . . . 0.0 113.376 169.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.0 m -79.54 -51.67 9.0 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.934 1.293 . . . . 0.0 111.957 172.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.9 mtp85 -54.5 -35.65 63.34 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 126.168 1.787 . . . . 0.0 113.188 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -61.17 -28.63 69.27 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -58.36 -42.77 87.67 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.142 0.883 . . . . 0.0 111.497 174.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.13 95.99 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.012 0.525 . . . . 0.0 111.923 174.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.8 mtm-85 -62.42 -41.89 99.04 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.371 1.069 . . . . 0.0 112.932 177.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -66.93 -44.39 80.8 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.813 1.245 . . . . 0.0 112.957 172.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.95 -21.47 63.48 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -176.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -58.89 -25.66 63.57 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.222 -0.924 . . . . 0.0 113.284 172.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.1 tp -67.15 -30.52 70.52 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.204 1.001 . . . . 0.0 112.98 173.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.99 -25.48 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.673 1.189 . . . . 0.0 111.988 -173.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.38 -17.1 58.22 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.017 1.327 . . . . 0.0 114.52 173.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -126.83 -36.12 2.24 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.472 1.509 . . . . 0.0 113.181 177.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.25 19.06 2.04 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 128.212 2.605 . . . . 0.0 115.38 176.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 . . . . . 0 C--O 1.253 1.263 0 C-N-CA 127.523 2.329 . . . . 0.0 111.629 -179.826 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.365 0 O4'-C1'-N19 111.723 3.523 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.862 0 O4'-C1'-N19 111.518 3.318 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 1 C3'-C2'-C1' 105.787 4.764 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.185 1 O4'-C1'-N19 112.711 4.511 . 0.21 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.08 1 O4'-C1'-N19 112.477 4.277 . 0.477 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C4'-C3'-C2' 99.66 -3.04 . 0.351 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.111 0 C5'-C4'-C3' 109.797 -3.802 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.111 0 C4'-C3'-C2' 99.973 -2.727 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 1 C5'-C4'-C3' 108.767 -4.489 . 0.379 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.405 0 O4'-C1'-N19 111.054 2.854 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 1 C4'-C3'-C2' 98.484 -4.216 . 0.395 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 O5'-C5'-C4' 114.693 3.209 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.506 1 C4'-C3'-C2' 98.278 -4.422 . 0.552 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.621 1 O4'-C1'-N19 112.836 4.636 . 0.446 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.415 0 O4'-C1'-N19 111.786 3.586 . 0.482 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.99 0 C4'-C3'-C2' 100.108 -2.592 . 0.724 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.956 0 O4'-C1'-N19 111.736 3.536 . 0.91 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.471 1 C5'-C4'-C3' 109.125 -4.25 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.033 1 C5'-C4'-C3' 109.351 -4.099 . 0.857 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.08 0 C4'-C3'-C2' 99.043 -3.657 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.07 0 C4'-C3'-C2' 99.15 -3.55 . 0.665 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.223 0 C5'-C4'-C3' 111.813 -2.458 . 0.692 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.048 0 O4'-C1'-N19 111.504 3.304 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.277 0 O4'-C1'-N19 111.508 3.308 . 0.842 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 111.473 0.175 . . . . 0.0 111.473 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.1 m -74.46 65.29 1.24 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.696 1.598 . . . . 0.0 113.05 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -63.57 -34.58 78.12 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.82 1.648 . . . . 0.0 113.299 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.27 -8.68 60.77 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 126.723 2.106 . . . . 0.0 114.386 -176.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.4 p -70.45 169.73 13.44 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.012 1.725 . . . . 0.0 112.618 171.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.02 -41.2 11.63 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.571 1.548 . . . . 0.0 115.002 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -64.05 -57.4 9.76 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 118.873 0.76 . . . . 0.0 111.988 -178.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.3 p -65.53 -36.06 82.71 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.5 ttp-105 -60.43 -46.79 88.75 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.302 1.441 . . . . 0.0 112.04 172.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -62.59 -43.11 99.63 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.772 0.714 . . . . 0.0 112.136 177.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -54.56 -50.23 68.47 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.914 0.886 . . . . 0.0 111.817 170.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.17 -45.31 87.72 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.603 0.761 . . . . 0.0 112.829 175.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.4 mtp85 -58.88 -51.76 68.64 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.767 1.227 . . . . 0.0 112.441 175.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.1 mtm105 -56.41 -39.82 73.68 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.142 0.977 . . . . 0.0 112.624 175.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.32 -47.74 63.57 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.945 1.298 . . . . 0.0 112.803 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -62.4 -35.68 79.97 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.224 -0.923 . . . . 0.0 112.562 176.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.9 tp -59.93 -25.08 64.87 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.454 1.502 . . . . 0.0 113.668 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.9 mt -53.84 -28.24 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 125.271 1.428 . . . . 0.0 112.192 175.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.58 -20.3 20.2 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 174.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -123.95 -22.97 4.73 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.416 1.486 . . . . 0.0 113.535 172.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.8 ttp85 -83.65 -16.59 44.55 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.246 1.818 . . . . 0.0 114.629 -177.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 . . . . . 0 C--O 1.253 1.287 0 C-N-CA 125.646 1.578 . . . . 0.0 112.571 172.628 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 100.034 -2.666 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.06 0 C4'-C3'-C2' 99.461 -3.239 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.228 1 O4'-C1'-N19 112.478 4.278 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.115 1 O4'-C1'-N19 112.534 4.334 . 0.59 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.108 1 C5'-C4'-C3' 109.1 -4.267 . 0.733 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.292 0 C4'-C3'-C2' 99.163 -3.537 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.188 1 C5'-C4'-C3' 107.875 -5.083 . 0.214 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.43 0 C4'-C3'-C2' 99.328 -3.372 . 0.616 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 O4'-C1'-N19 110.892 2.692 . 0.881 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.407 0 C5'-C4'-C3' 110.61 -3.26 . 0.778 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.056 0 O4'-C1'-N19 111.691 3.491 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 P-O3'-C3' 123.842 3.451 . 0.414 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.336 0 C5'-C4'-C3' 111.298 -2.801 . 0.106 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.024 0 C5'-C4'-C3' 110.522 -3.319 . 0.825 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.086 0 O4'-C1'-N19 112.076 3.876 . 0.274 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.257 0 C5'-C4'-C3' 110.847 -3.102 . 0.349 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.05 0 C5'-C4'-C3' 110.143 -3.571 . 0.946 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C4'-C3'-C2' 99.452 -3.248 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 1 O4'-C1'-N19 114.097 5.897 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.122 0 C5'-C4'-C3' 109.748 -3.834 . 0.236 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.949 0 C4'-C3'-C2' 100.148 -2.552 . 0.813 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.456 1 C5'-C4'-C3' 109.277 -4.149 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.199 0 O4'-C1'-N19 111.327 3.127 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 O4'-C1'-N19 111.368 3.168 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 119.362 -0.352 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m 64.62 -8.72 0.2 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 127.793 2.437 . . . . 0.0 117.305 173.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt 43.67 -107.28 0.1 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 128.992 2.917 . . . . 0.0 113.705 175.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.96 8.62 64.7 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.094 1.33 . . . . 0.0 115.966 177.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.8 p -64.84 167.73 7.2 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.83 1.252 . . . . 0.0 112.554 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.72 -40.55 75.9 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.421 -0.8 . . . . 0.0 111.672 171.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -64.32 -41.66 96.7 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.954 1.302 . . . . 0.0 112.504 175.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.6 m -62.68 -47.17 84.83 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.187 0.995 . . . . 0.0 111.901 175.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.5 mtm180 -68.34 -32.73 73.05 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.314 1.046 . . . . 0.0 112.968 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -62.47 -25.33 67.93 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 174.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -58.15 -29.19 65.38 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 120.846 -1.159 . . . . 0.0 113.407 174.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.8 -48.93 22.73 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.575 0.75 . . . . 0.0 111.854 167.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -61.36 -22.98 65.44 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 126.104 1.762 . . . . 0.0 114.523 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -46.8 -53.13 12.63 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.811 1.644 . . . . 0.0 111.861 166.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.54 -40.72 92.57 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.537 0.735 . . . . 0.0 112.88 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -65.55 -36.56 84.17 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.129 0.971 . . . . 0.0 112.372 176.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.8 tp -68.49 -49.95 55.94 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.294 1.038 . . . . 0.0 111.889 171.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 50.8 mt -53.8 -32.46 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.418 1.487 . . . . 0.0 112.106 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.18 -15.54 15.46 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -128.24 -29.08 2.52 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.065 1.346 . . . . 0.0 114.572 171.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -70.41 -33.24 71.13 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.896 1.679 . . . . 0.0 112.736 174.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 . . . . . 0 C--O 1.252 1.221 0 C-N-CA 127.065 2.146 . . . . 0.0 111.948 -165.203 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 1 O4'-C1'-N19 112.947 4.747 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.217 1 P-O3'-C3' 125.352 4.71 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.341 1 O4'-C1'-N19 113.46 5.26 . 0.79 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.005 1 O4'-C1'-N19 113.735 5.535 OUTLIER-EPSILON 0.18 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.031 1 P-O3'-C3' 125.797 5.081 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.208 0 C4'-C3'-C2' 99.05 -3.65 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.005 2 O4'-C1'-N19 112.463 4.263 . 0.54 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 C3'-C2'-C1' 104.291 3.101 . 0.187 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.168 0 O4'-C1'-N19 111.827 3.627 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.361 0 C5'-C4'-C3' 109.831 -3.779 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 O4'-C1'-N19 110.756 2.556 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 O4'-C4'-C3' 108.537 2.17 . 0.502 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.165 0 C4'-C3'-C2' 100.334 -2.366 . 0.508 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.097 0 O4'-C1'-N19 111.969 3.769 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.116 1 O4'-C1'-N19 112.39 4.19 . 0.622 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.803 0 C4'-C3'-C2' 99.844 -2.856 . 0.644 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.122 0 C4'-C3'-C2' 99.363 -3.337 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C5'-C4'-C3' 111.461 -2.692 . 0.831 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.154 1 C5'-C4'-C3' 109.474 -4.017 . 0.779 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.487 1 C3'-C2'-C1' 106.102 5.114 . 0.602 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.403 0 C4'-C3'-C2' 100.004 -2.696 . 0.67 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 3 O4'-C1'-N19 113.624 5.424 OUTLIER-DELTA 0.018 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.148 0 C4'-C3'-C2' 99.828 -2.872 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.278 0 O4'-C1'-N19 111.529 3.329 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 N--CA 1.472 0.638 0 CA-C-O 122.113 0.958 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.08 -29.38 70.25 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.845 -0.534 . . . . 0.0 112.423 176.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -59.59 -53.17 61.22 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.303 1.041 . . . . 0.0 112.505 174.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.7 m -73.04 -32.03 64.81 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -65.23 -43.73 90.53 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.369 -0.832 . . . . 0.0 112.293 166.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -60.84 -39.24 88.32 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.574 0.625 . . . . 0.0 111.822 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -58.93 -42.94 90.92 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.49 1.116 . . . . 0.0 112.827 171.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.34 99.02 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.557 -0.715 . . . . 0.0 111.735 170.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -62.26 -39.1 91.76 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.833 1.253 . . . . 0.0 112.878 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -59.99 -49.24 78.46 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.973 1.709 . . . . 0.0 110.65 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 173.729 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.7 p . . . . . 0 N--CA 1.477 0.902 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.49 -29.48 69.09 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.458 -0.777 . . . . 0.0 112.527 167.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -61.92 -50.49 71.97 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.353 1.061 . . . . 0.0 112.071 169.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.9 m -59.86 -39.51 85.45 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.227 1.011 . . . . 0.0 111.892 176.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -67.72 -37.23 81.94 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.364 1.466 . . . . 0.0 113.059 173.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -70.41 -39.0 74.72 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.077 -1.014 . . . . 0.0 112.556 175.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -53.38 -47.43 69.48 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.585 1.154 . . . . 0.0 111.889 169.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.47 -46.13 87.24 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.158 0.583 . . . . 0.0 112.533 173.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -67.57 -30.82 70.55 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -62.41 -46.29 89.26 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.246 1.418 . . . . 0.0 111.322 168.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.853 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 174.746 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.481 1.12 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.26 -37.84 70.34 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 120.729 -1.232 . . . . 0.0 112.688 170.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -61.59 -46.31 90.4 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.244 1.418 . . . . 0.0 111.46 172.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.3 m -60.79 -48.14 83.13 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.578 1.551 . . . . 0.0 112.241 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -59.74 -46.72 88.26 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.796 1.638 . . . . 0.0 111.767 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -57.93 -50.0 74.86 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.898 0.879 . . . . 0.0 112.223 172.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -59.75 -40.69 88.96 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.15 0.887 . . . . 0.0 112.529 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.97 -46.95 88.68 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.811 0.844 . . . . 0.0 112.268 171.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.3 ttp85 -61.19 -37.68 83.8 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.252 1.421 . . . . 0.0 113.373 175.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -59.11 -52.06 67.33 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.77 1.228 . . . . 0.0 111.171 168.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.795 0 C-N-CA 124.23 1.012 . . . . 0.0 113.215 176.381 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.2 p . . . . . 0 N--CA 1.476 0.841 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.32 -41.06 79.21 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.374 0.669 . . . . 0.0 112.147 174.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -62.03 -49.33 76.44 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.908 0.883 . . . . 0.0 112.249 173.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.5 m -63.96 -43.05 96.94 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.428 0.691 . . . . 0.0 112.232 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -69.39 -33.32 72.85 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.282 1.033 . . . . 0.0 113.202 175.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -66.32 -41.48 89.62 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.282 0.946 . . . . 0.0 112.531 169.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -61.83 -25.91 67.8 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.319 1.048 . . . . 0.0 113.571 177.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.36 96.46 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.369 -0.832 . . . . 0.0 112.306 167.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -60.32 -45.04 94.83 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.954 1.302 . . . . 0.0 111.31 174.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -56.77 -52.33 65.45 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.353 1.461 . . . . 0.0 111.769 173.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 124.308 1.043 . . . . 0.0 112.722 178.549 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.6 p . . . . . 0 N--CA 1.476 0.859 0 CA-C-O 121.174 0.511 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.26 -29.56 70.5 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.397 -0.815 . . . . 0.0 112.299 170.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -58.23 -55.96 28.24 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.488 1.515 . . . . 0.0 111.565 169.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.2 t -61.36 -44.13 97.69 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.312 1.045 . . . . 0.0 112.242 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.2 ttp85 -60.47 -43.55 96.81 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.487 1.515 . . . . 0.0 112.833 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -62.5 -48.26 80.32 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.192 0.997 . . . . 0.0 112.162 169.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -57.45 -37.99 73.73 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.832 0.853 . . . . 0.0 112.775 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.48 -52.35 65.99 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.07 0.85 . . . . 0.0 112.003 171.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -56.19 -43.88 78.88 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.961 1.304 . . . . 0.0 112.347 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -58.21 -62.02 2.14 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.47 1.908 . . . . 0.0 111.397 175.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.659 0 C-N-CA 126.101 1.76 . . . . 0.0 113.968 -174.308 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.2 p . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.59 -40.42 62.64 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.805 1.242 . . . . 0.0 113.529 172.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -63.85 -50.03 70.47 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.852 0.861 . . . . 0.0 112.275 172.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.7 m -57.48 -47.08 82.84 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.243 1.017 . . . . 0.0 111.622 178.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -55.35 -53.03 61.26 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 128.51 2.724 . . . . 0.0 112.123 174.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -65.62 -43.19 90.31 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -59.56 -42.67 92.96 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.829 0.851 . . . . 0.0 111.682 175.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.28 92.93 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.734 0.814 . . . . 0.0 112.572 170.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -55.91 -46.48 78.4 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.417 1.087 . . . . 0.0 112.188 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -61.25 -50.26 73.77 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.188 1.395 . . . . 0.0 111.954 173.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.69 0 C-N-CA 124.909 1.283 . . . . 0.0 113.965 -178.222 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.2 p . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 121.896 0.855 . . . . 0.0 113.048 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.49 -34.0 66.52 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -173.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -56.22 -56.55 19.6 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.294 1.038 . . . . 0.0 111.916 171.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.2 m -59.61 -39.46 84.32 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.817 1.247 . . . . 0.0 112.873 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.5 mtm-85 -64.1 -50.6 67.65 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.779 0.832 . . . . 0.0 111.833 174.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -65.53 -36.31 83.45 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -177.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -51.03 -45.77 61.38 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.19 1.396 . . . . 0.0 111.99 170.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.02 -48.06 66.74 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.404 0.682 . . . . 0.0 112.363 173.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -61.29 -32.27 72.11 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -55.12 -44.73 75.27 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.223 1.374 . . . . 0.0 112.856 174.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.785 0 C-N-CA 123.631 0.772 . . . . 0.0 112.876 178.128 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.5 p . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.41 -35.41 65.33 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.25 -0.906 . . . . 0.0 112.736 166.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -72.19 -40.5 67.84 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.251 1.02 . . . . 0.0 111.948 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 m -61.22 -44.16 97.71 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.371 1.068 . . . . 0.0 111.961 171.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -61.3 -41.62 97.28 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.815 1.646 . . . . 0.0 112.146 174.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -67.02 -40.53 87.28 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 173.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -56.15 -45.75 79.53 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.264 -0.897 . . . . 0.0 111.184 169.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.41 93.97 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.486 0.715 . . . . 0.0 112.639 173.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -53.32 -47.92 68.89 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.801 1.64 . . . . 0.0 112.061 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.2 mtp85 -61.9 -54.46 41.67 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.405 1.482 . . . . 0.0 112.301 171.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.696 0 C-N-CA 124.738 1.215 . . . . 0.0 113.7 -176.178 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.6 p . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.09 -37.22 53.32 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.969 1.708 . . . . 0.0 114.267 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -66.17 -41.08 90.79 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.3 m -68.17 -43.35 78.37 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.614 0.766 . . . . 0.0 112.209 172.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.6 mtm105 -54.59 -51.29 65.76 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.074 0.95 . . . . 0.0 111.274 173.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -70.19 -37.98 75.22 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -59.05 -39.35 81.77 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.163 -0.961 . . . . 0.0 111.687 173.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.6 94.85 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 171.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.6 mmm-85 -61.42 -45.58 93.72 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 121.011 -1.056 . . . . 0.0 112.472 172.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -66.6 -26.49 67.12 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.501 1.12 . . . . 0.0 113.521 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.674 0 C-N-CA 123.769 0.827 . . . . 0.0 111.921 167.614 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.21 -47.3 28.91 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 120.865 -1.147 . . . . 0.0 112.145 159.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -47.6 -50.84 23.08 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.864 1.666 . . . . 0.0 113.603 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.6 p -51.64 -48.54 63.3 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.113 1.765 . . . . 0.0 112.9 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -72.61 -38.96 67.65 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.321 1.848 . . . . 0.0 113.66 173.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -63.8 -27.28 69.07 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.497 1.519 . . . . 0.0 112.392 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -56.23 -39.54 72.7 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.887 1.275 . . . . 0.0 112.664 168.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.7 -40.24 73.0 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.113 -0.992 . . . . 0.0 112.514 171.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -57.36 -44.46 84.4 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.883 1.273 . . . . 0.0 112.14 175.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -59.97 -48.29 82.32 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 127.205 2.202 . . . . 0.0 112.757 171.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.771 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -176.819 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.7 83.14 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.662 0.785 . . . . 0.0 112.046 174.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -63.65 -37.16 86.3 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.353 1.061 . . . . 0.0 113.166 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.6 t -76.86 -33.13 57.89 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.956 0.798 . . . . 0.0 113.03 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -64.74 -40.06 94.69 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 120.694 -1.254 . . . . 0.0 112.092 169.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -58.38 -46.95 85.35 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.186 1.394 . . . . 0.0 112.088 166.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -57.39 -31.43 65.8 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.19 -58.64 4.96 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 118.888 0.767 . . . . 0.0 111.742 169.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -48.47 -41.63 30.29 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 127.162 2.185 . . . . 0.0 113.25 174.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -51.7 -55.39 19.84 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.421 1.888 . . . . 0.0 112.542 174.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.893 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 179.403 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 121.171 0.51 . . . . 0.0 112.181 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.23 85.9 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.679 -0.638 . . . . 0.0 111.736 176.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -62.04 -47.17 85.93 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.514 1.126 . . . . 0.0 111.974 175.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.7 m -63.94 -47.44 80.47 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.314 1.046 . . . . 0.0 112.734 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 -64.85 -40.44 95.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.744 0.818 . . . . 0.0 112.736 177.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -63.78 -24.0 67.59 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -61.28 -18.98 61.15 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.495 -1.378 . . . . 0.0 114.206 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.3 -43.07 98.88 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 121.276 -0.89 . . . . 0.0 112.483 166.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -42.93 96.85 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.737 1.615 . . . . 0.0 110.969 173.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -57.65 -52.06 66.97 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.408 1.083 . . . . 0.0 112.469 171.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.765 0 C-N-CA 123.658 0.783 . . . . 0.0 112.811 179.226 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.4 p . . . . . 0 N--CA 1.475 0.798 0 CA-C-O 121.416 0.627 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.31 -33.59 76.08 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.213 -0.929 . . . . 0.0 113.018 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -58.31 -31.71 67.78 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.807 1.243 . . . . 0.0 113.376 169.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.0 m -79.54 -51.67 9.0 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.934 1.293 . . . . 0.0 111.957 172.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.9 mtp85 -54.5 -35.65 63.34 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 126.168 1.787 . . . . 0.0 113.188 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -61.17 -28.63 69.27 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -58.36 -42.77 87.67 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.142 0.883 . . . . 0.0 111.497 174.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.13 95.99 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.012 0.525 . . . . 0.0 111.923 174.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.8 mtm-85 -62.42 -41.89 99.04 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.371 1.069 . . . . 0.0 112.932 177.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -66.93 -44.39 80.8 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.813 1.245 . . . . 0.0 112.957 172.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.698 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -176.018 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.4 p . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.02 -41.2 11.63 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.571 1.548 . . . . 0.0 115.002 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -64.05 -57.4 9.76 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 118.873 0.76 . . . . 0.0 111.988 -178.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.3 p -65.53 -36.06 82.71 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.5 ttp-105 -60.43 -46.79 88.75 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.302 1.441 . . . . 0.0 112.04 172.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -62.59 -43.11 99.63 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.772 0.714 . . . . 0.0 112.136 177.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -54.56 -50.23 68.47 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.914 0.886 . . . . 0.0 111.817 170.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.17 -45.31 87.72 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.603 0.761 . . . . 0.0 112.829 175.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.4 mtp85 -58.88 -51.76 68.64 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.767 1.227 . . . . 0.0 112.441 175.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.1 mtm105 -56.41 -39.82 73.68 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.142 0.977 . . . . 0.0 112.624 175.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.7 0 C-N-CA 124.945 1.298 . . . . 0.0 112.803 178.477 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.8 p . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.72 -40.55 75.9 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.421 -0.8 . . . . 0.0 111.672 171.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -64.32 -41.66 96.7 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.954 1.302 . . . . 0.0 112.504 175.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.6 m -62.68 -47.17 84.83 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.187 0.995 . . . . 0.0 111.901 175.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.5 mtm180 -68.34 -32.73 73.05 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.314 1.046 . . . . 0.0 112.968 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -62.47 -25.33 67.93 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 174.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -58.15 -29.19 65.38 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 120.846 -1.159 . . . . 0.0 113.407 174.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.8 -48.93 22.73 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.575 0.75 . . . . 0.0 111.854 167.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -61.36 -22.98 65.44 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 126.104 1.762 . . . . 0.0 114.523 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -46.8 -53.13 12.63 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.811 1.644 . . . . 0.0 111.861 166.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.721 0 C-N-CA 123.537 0.735 . . . . 0.0 112.88 179.222 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 110.729 -0.1 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 2.4 0.9 OUTLIER -68.58 15.3 0.06 Allowed 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 119.074 2.99 . . . . 0.0 119.074 -136.834 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -68.05 110.88 4.14 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.671 1.588 . . . . 0.0 110.075 168.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.33 3.4 47.69 Favored Glycine 0 CA--C 1.535 1.319 0 O-C-N 121.554 -0.716 . . . . 0.0 112.64 156.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.4 p -60.35 156.45 15.74 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.225 1.512 . . . . 0.0 112.547 -177.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.08 -29.38 70.25 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.845 -0.534 . . . . 0.0 112.423 176.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -59.59 -53.17 61.22 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.303 1.041 . . . . 0.0 112.505 174.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.7 m -73.04 -32.03 64.81 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -65.23 -43.73 90.53 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.369 -0.832 . . . . 0.0 112.293 166.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -60.84 -39.24 88.32 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.574 0.625 . . . . 0.0 111.822 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -58.93 -42.94 90.92 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.49 1.116 . . . . 0.0 112.827 171.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.34 99.02 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.557 -0.715 . . . . 0.0 111.735 170.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -62.26 -39.1 91.76 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.833 1.253 . . . . 0.0 112.878 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -59.99 -49.24 78.46 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.973 1.709 . . . . 0.0 110.65 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.48 -37.79 76.26 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 173.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -68.46 -38.66 81.31 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.962 -1.086 . . . . 0.0 112.806 171.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.14 -30.36 71.53 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.137 -0.977 . . . . 0.0 111.813 169.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.7 mt -67.79 -22.26 28.03 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 O-C-N 120.183 -1.573 . . . . 0.0 111.703 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.11 -4.9 57.87 Favored 'General case' 0 CA--C 1.555 1.171 0 N-CA-C 114.565 1.321 . . . . 0.0 114.565 165.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -134.54 9.66 3.69 Favored 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 116.411 2.004 . . . . 0.0 116.411 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -32.94 -83.49 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 129.318 3.047 . . . . 0.0 114.286 -173.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.3 mtt85 . . . . . 0 C--O 1.253 1.288 0 C-N-CA 131.499 3.92 . . . . 0.0 114.028 146.528 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 1 C3'-C2'-C1' 105.222 4.136 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C4'-C3'-C2' 98.8 -3.9 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 2 O4'-C1'-N19 113.064 4.864 . 0.716 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.042 1 O4'-C1'-N19 112.398 4.198 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.187 1 C5'-C4'-C3' 109.102 -4.265 . 0.562 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.279 0 C5'-C4'-O4' 113.825 3.304 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.218 1 C5'-C4'-C3' 107.373 -5.418 . 0.403 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.443 0 O4'-C1'-N19 112.19 3.99 . 0.119 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.364 0 C5'-C4'-C3' 110.055 -3.63 . 0.286 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 2 C5'-C4'-C3' 108.702 -4.532 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.808 0 C1'-O4'-C4' 107.315 -2.538 . 0.502 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 C4'-C3'-C2' 99.808 -2.892 . 0.639 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.471 0 C4'-C3'-C2' 99.72 -2.98 . 0.232 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.981 0 O4'-C1'-N19 111.763 3.563 . 0.727 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.07 0 O4'-C1'-N19 111.937 3.737 . 0.264 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.982 0 C5'-C4'-C3' 110.729 -3.18 . 0.516 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.319 0 C4'-C3'-C2' 99.773 -2.927 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.291 1 C5'-C4'-C3' 109.14 -4.24 . 0.656 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.263 2 O4'-C1'-N19 113.083 4.883 . 0.468 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.196 0 C4'-C3'-C2' 99.14 -3.56 . 0.48 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 1 C4'-C3'-C2' 98.351 -4.349 . 0.411 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.291 0 C5'-C4'-C3' 110.223 -3.518 . 0.411 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.304 0 C4'-C3'-C2' 99.147 -3.553 . 0.476 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 1 O4'-C1'-N19 112.436 4.236 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.867 0.365 . . . . 0.0 110.565 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.0 m -69.68 -7.53 39.96 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.729 1.752 . . . . 0.0 115.729 -174.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -67.42 27.09 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 128.811 2.844 . . . . 0.0 116.344 -172.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.7 8.43 63.79 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 126.362 1.934 . . . . 0.0 114.273 169.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.7 p -61.63 162.34 8.56 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.71 1.604 . . . . 0.0 114.163 -174.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.49 -29.48 69.09 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.458 -0.777 . . . . 0.0 112.527 167.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -61.92 -50.49 71.97 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.353 1.061 . . . . 0.0 112.071 169.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.9 m -59.86 -39.51 85.45 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.227 1.011 . . . . 0.0 111.892 176.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -67.72 -37.23 81.94 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.364 1.466 . . . . 0.0 113.059 173.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -70.41 -39.0 74.72 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.077 -1.014 . . . . 0.0 112.556 175.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -53.38 -47.43 69.48 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.585 1.154 . . . . 0.0 111.889 169.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.47 -46.13 87.24 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.158 0.583 . . . . 0.0 112.533 173.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -67.57 -30.82 70.55 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -62.41 -46.29 89.26 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.246 1.418 . . . . 0.0 111.322 168.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.28 80.04 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -67.07 -45.32 77.71 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.72 0.808 . . . . 0.0 112.569 170.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.83 -32.26 69.24 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.014 1.325 . . . . 0.0 112.931 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 58.5 mt -64.0 -16.13 18.21 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 125.343 1.457 . . . . 0.0 113.223 174.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.66 -20.54 33.4 Favored 'General case' 0 CA--C 1.55 0.963 0 O-C-N 120.709 -1.244 . . . . 0.0 113.684 167.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -97.89 -36.48 10.15 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.435 1.494 . . . . 0.0 112.954 -177.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 56.67 22.72 7.06 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 127.772 2.429 . . . . 0.0 115.671 172.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.669 1.988 . . . . 0.0 112.814 175.406 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.579 0 C3'-C2'-C1' 103.545 2.272 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.555 1 O5'-C5'-C4' 116.022 4.159 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 1 O4'-C1'-N19 112.397 4.197 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 1 O4'-C1'-N19 112.244 4.044 . 0.715 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.022 0 O4'-C1'-N19 111.431 3.231 . 0.899 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 C4'-C3'-C2' 99.598 -3.102 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.088 0 C5'-C4'-C3' 110.07 -3.62 . 0.867 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.208 1 C5'-C4'-C3' 109.498 -4.001 . 0.424 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.063 0 O4'-C1'-N19 111.801 3.601 . 0.197 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.3 0 O4'-C1'-N19 110.74 2.54 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 100.33 -2.37 . 0.553 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.193 0 C4'-C3'-C2' 100.469 -2.231 . 0.43 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.844 0 C4'-C3'-C2' 99.314 -3.386 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.939 0 O4'-C1'-N19 111.993 3.793 . 0.898 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.984 1 O4'-C1'-N19 112.316 4.116 . 0.264 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.184 0 C5'-C4'-C3' 110.615 -3.257 . 0.678 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.016 0 C5'-C4'-C3' 109.903 -3.731 . 0.919 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.387 0 C4'-C3'-C2' 99.246 -3.454 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.997 0 C5'-C4'-C3' 110.535 -3.31 . 0.857 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.165 0 C4'-C3'-C2' 99.678 -3.022 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.352 0 C4'-C3'-C2' 99.486 -3.214 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 0 C5'-C4'-C3' 110.582 -3.278 . 0.753 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 1 O4'-C1'-N19 112.598 4.398 . 0.56 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 1 O5'-C5'-C4' 115.948 4.105 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 110.594 -0.15 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t -79.46 46.28 0.73 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.198 1.399 . . . . 0.0 113.171 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -72.07 167.92 19.21 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.462 1.505 . . . . 0.0 112.946 175.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.13 33.97 1.45 Allowed Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.32 1.438 . . . . 0.0 114.576 -170.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.3 p -67.71 172.75 4.91 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.795 1.238 . . . . 0.0 112.277 175.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.26 -37.84 70.34 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 120.729 -1.232 . . . . 0.0 112.688 170.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.524 ' HG2' ' H41' ' B' ' 8' ' ' ' C' . 41.2 mttm -61.59 -46.31 90.4 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.244 1.418 . . . . 0.0 111.46 172.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.3 m -60.79 -48.14 83.13 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.578 1.551 . . . . 0.0 112.241 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -59.74 -46.72 88.26 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.796 1.638 . . . . 0.0 111.767 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -57.93 -50.0 74.86 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.898 0.879 . . . . 0.0 112.223 172.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -59.75 -40.69 88.96 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.15 0.887 . . . . 0.0 112.529 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.97 -46.95 88.68 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.811 0.844 . . . . 0.0 112.268 171.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.3 ttp85 -61.19 -37.68 83.8 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.252 1.421 . . . . 0.0 113.373 175.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -59.11 -52.06 67.33 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.77 1.228 . . . . 0.0 111.171 168.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.02 81.28 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.23 1.012 . . . . 0.0 113.215 176.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -61.86 -35.41 78.21 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.15 -0.969 . . . . 0.0 112.856 173.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.2 tt -69.43 -51.6 34.75 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.956 0.902 . . . . 0.0 111.95 173.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 pt -67.46 -15.18 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.53 -14.81 62.66 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 166.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -125.89 -19.27 4.89 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.095 1.758 . . . . 0.0 113.481 -176.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 51.28 51.13 17.54 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.376 2.271 . . . . 0.0 112.611 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 . . . . . 0 C--O 1.253 1.287 0 C-N-CA 127.01 2.124 . . . . 0.0 113.111 179.334 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.553 0 C4'-C3'-C2' 100.271 -2.429 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.08 0 C4'-C3'-C2' 99.483 -3.217 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.121 1 O4'-C1'-N19 112.469 4.269 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.218 0 O4'-C1'-N19 112.094 3.894 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.062 0 C5'-C4'-C3' 110.807 -3.129 . 0.874 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.175 0 C4'-C3'-C2' 99.657 -3.043 . 0.869 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.023 1 C5'-C4'-C3' 109.038 -4.308 . 0.821 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ' C' . . . . . 0.524 ' H41' ' HG2' ' A' ' 14' ' ' LYS . . . . . . . . 0 C5'--C4' 1.541 2.385 0 O4'-C1'-N19 111.039 2.839 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 1 C5'-C4'-C3' 108.435 -4.71 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 O4'-C1'-N19 111.768 3.568 . 0.916 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 O4'-C1'-N19 111.905 3.705 . 0.286 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C4'-C3'-C2' 100.174 -2.526 . 0.353 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.504 0 C5'-C4'-C3' 111.606 -2.596 . 0.055 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.074 0 O4'-C1'-N19 111.268 3.068 . 0.891 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.068 0 O4'-C1'-N19 112.116 3.916 . 0.47 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.903 0 C5'-C4'-C3' 111.073 -2.952 . 0.528 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.306 0 C4'-C3'-C2' 100.275 -2.425 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 C5'-C4'-C3' 110.938 -3.042 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 0 O4'-C1'-N19 112.083 3.883 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.344 0 C4'-C3'-C2' 100.037 -2.663 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.192 0 C5'-C4'-C3' 110.237 -3.509 . 0.869 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 C5'-C4'-C3' 110.35 -3.433 . 0.857 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.094 0 O4'-C1'-N19 111.648 3.448 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.366 0 O4'-C1'-N19 111.424 3.224 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 120.645 0.26 . . . . 0.0 111.599 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 m -71.03 -20.63 62.36 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -92.4 -77.87 0.43 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.602 1.561 . . . . 0.0 112.323 -176.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.66 4.11 69.46 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.211 1.386 . . . . 0.0 115.376 -176.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.2 p -68.02 163.58 21.99 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 119.054 1.427 . . . . 0.0 112.433 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.32 -41.06 79.21 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.374 0.669 . . . . 0.0 112.147 174.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -62.03 -49.33 76.44 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.908 0.883 . . . . 0.0 112.249 173.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.5 m -63.96 -43.05 96.94 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.428 0.691 . . . . 0.0 112.232 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -69.39 -33.32 72.85 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.282 1.033 . . . . 0.0 113.202 175.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -66.32 -41.48 89.62 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.282 0.946 . . . . 0.0 112.531 169.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -61.83 -25.91 67.8 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.319 1.048 . . . . 0.0 113.571 177.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.36 96.46 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.369 -0.832 . . . . 0.0 112.306 167.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -60.32 -45.04 94.83 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.954 1.302 . . . . 0.0 111.31 174.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -56.77 -52.33 65.45 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.353 1.461 . . . . 0.0 111.769 173.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.5 -44.31 89.39 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.308 1.043 . . . . 0.0 112.722 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.31 -43.85 95.96 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.88 0.872 . . . . 0.0 112.419 174.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.5 tp -61.71 -46.47 89.53 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.665 0.786 . . . . 0.0 112.306 174.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 63.9 mt -63.59 -23.36 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.864 1.666 . . . . 0.0 112.835 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.99 -50.17 10.78 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.823 1.249 . . . . 0.0 112.332 166.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -64.34 -32.92 74.72 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.202 1.401 . . . . 0.0 114.072 -175.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -65.0 -17.05 64.1 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.372 1.869 . . . . 0.0 113.201 -171.035 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.372 0 C4'-C3'-O3' 116.612 2.312 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 1 O4'-C1'-N19 112.602 4.402 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 O4'-C1'-N19 111.141 2.941 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.192 1 O4'-C1'-N19 112.247 4.047 . 0.709 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.054 0 O4'-C1'-N19 111.831 3.631 . 0.83 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.469 1 C5'-C4'-C3' 109.449 -4.034 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.122 1 C5'-C4'-C3' 108.28 -4.814 . 0.806 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.966 0 C3'-C2'-C1' 104.95 3.834 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.049 0 O4'-C1'-N19 111.812 3.612 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.327 0 O4'-C1'-N19 111.413 3.213 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.342 1 C2'-C3'-O3' 122.656 4.163 OUTLIER-EPSILON 0.209 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.183 1 P-O3'-C3' 125.637 4.948 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.537 1 C4'-C3'-C2' 98.204 -4.496 . 0.281 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.117 0 O4'-C1'-N19 112.155 3.955 . 0.492 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.159 1 O4'-C1'-N19 112.494 4.294 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.908 0 C5'-C4'-C3' 110.269 -3.487 . 0.522 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.197 0 C4'-C3'-C2' 100.388 -2.312 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.401 0 C5'-C4'-C3' 110.038 -3.641 . 0.826 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.935 1 C5'-C4'-C3' 108.558 -4.628 . 0.871 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 C4'-C3'-C2' 99.205 -3.495 . 0.878 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.299 0 C4'-C3'-C2' 99.196 -3.504 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 C5'-C4'-C3' 111.364 -2.757 . 0.762 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.078 0 O4'-C1'-N19 111.37 3.17 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.44 0 O4'-C1'-N19 111.524 3.324 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 119.549 -0.262 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.6 m -50.65 -45.45 57.87 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.323 1.449 . . . . 0.0 114.263 -173.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.21 -11.66 61.05 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.028 1.731 . . . . 0.0 114.292 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -106.71 -1.04 36.89 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 126.624 2.059 . . . . 0.0 114.24 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.6 p -59.71 154.34 18.23 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 118.627 1.213 . . . . 0.0 111.764 175.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.26 -29.56 70.5 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.397 -0.815 . . . . 0.0 112.299 170.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -58.23 -55.96 28.24 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.488 1.515 . . . . 0.0 111.565 169.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.2 t -61.36 -44.13 97.69 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.312 1.045 . . . . 0.0 112.242 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.2 ttp85 -60.47 -43.55 96.81 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.487 1.515 . . . . 0.0 112.833 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -62.5 -48.26 80.32 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.192 0.997 . . . . 0.0 112.162 169.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -57.45 -37.99 73.73 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.832 0.853 . . . . 0.0 112.775 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.48 -52.35 65.99 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.07 0.85 . . . . 0.0 112.003 171.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -56.19 -43.88 78.88 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.961 1.304 . . . . 0.0 112.347 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -58.21 -62.02 2.14 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.47 1.908 . . . . 0.0 111.397 175.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.46 -38.59 69.28 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.101 1.76 . . . . 0.0 113.968 -174.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -63.5 -26.1 68.56 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.7 tp -67.49 -33.68 75.6 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.873 -1.142 . . . . 0.0 112.229 173.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.2 mp -71.73 -23.41 22.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 124.816 1.246 . . . . 0.0 111.214 175.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.72 -47.68 14.89 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.166 0.987 . . . . 0.0 112.529 169.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -72.82 -29.71 63.46 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 47.54 51.19 14.09 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 127.591 2.356 . . . . 0.0 113.62 176.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.66 1.984 . . . . 0.0 112.951 178.205 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.229 0 C4'-C3'-C2' 100.009 -2.691 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.047 0 C5'-C4'-C3' 110.984 -3.011 . 0.921 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.167 1 O4'-C1'-N19 112.569 4.369 . 0.742 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.102 0 O4'-C1'-N19 112.073 3.873 . 0.614 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 0 C5'-C4'-C3' 110.381 -3.412 . 0.786 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 C4'-C3'-C2' 99.097 -3.603 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.101 1 C5'-C4'-C3' 106.808 -5.795 . 0.869 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.126 0 C5'-C4'-C3' 110.877 -3.082 . 0.487 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.332 1 C5'-C4'-C3' 108.545 -4.637 . 0.747 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.38 0 C5'-C4'-C3' 110.262 -3.492 . 0.897 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 C1'-O4'-C4' 107.465 -2.373 . 0.3 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 100.085 -2.615 . 0.422 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 C4'-C3'-C2' 99.912 -2.788 . 0.48 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.961 0 C5'-C4'-C3' 110.221 -3.519 . 0.771 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.137 0 O4'-C1'-N19 111.848 3.648 . 0.403 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.977 0 C5'-C4'-C3' 111.296 -2.803 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.065 0 C4'-C3'-C2' 99.52 -3.18 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.352 0 O4'-C1'-N19 111.388 3.188 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 1 O4'-C1'-N19 114.836 6.636 OUTLIER-EPSILON 0.727 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.264 1 P-O3'-C3' 126.184 5.403 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.233 0 C5'-C4'-C3' 110.649 -3.234 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.137 0 C5'-C4'-C3' 110.665 -3.223 . 0.817 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.178 0 O4'-C1'-N19 111.501 3.301 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.241 0 O4'-C1'-N19 111.179 2.979 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 120.84 0.352 . . . . 0.0 111.88 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -135.78 -177.22 4.58 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.846 1.658 . . . . 0.0 111.37 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -61.83 -26.93 68.41 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.406 2.282 . . . . 0.0 114.02 -171.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.3 7.42 88.55 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 125.182 1.372 . . . . 0.0 114.873 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.2 p -68.0 170.7 7.86 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.847 1.659 . . . . 0.0 112.92 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.59 -40.42 62.64 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.805 1.242 . . . . 0.0 113.529 172.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -63.85 -50.03 70.47 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.852 0.861 . . . . 0.0 112.275 172.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.7 m -57.48 -47.08 82.84 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.243 1.017 . . . . 0.0 111.622 178.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -55.35 -53.03 61.26 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 128.51 2.724 . . . . 0.0 112.123 174.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -65.62 -43.19 90.31 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -59.56 -42.67 92.96 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.829 0.851 . . . . 0.0 111.682 175.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.28 92.93 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.734 0.814 . . . . 0.0 112.572 170.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -55.91 -46.48 78.4 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.417 1.087 . . . . 0.0 112.188 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -61.25 -50.26 73.77 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.188 1.395 . . . . 0.0 111.954 173.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.93 91.56 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.909 1.283 . . . . 0.0 113.965 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -63.95 -21.98 66.72 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -175.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.62 -32.12 73.08 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.93 0.892 . . . . 0.0 112.799 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.0 mp -66.28 -17.8 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.992 1.317 . . . . 0.0 112.323 -175.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.76 -16.43 62.75 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 171.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -129.02 -37.43 1.7 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.91 1.284 . . . . 0.0 114.084 -177.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 59.99 15.56 5.15 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 127.339 2.256 . . . . 0.0 115.156 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 . . . . . 0 C--O 1.253 1.277 0 C-N-CA 128.248 2.619 . . . . 0.0 112.898 179.443 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . 0.419 ' N3 ' " H2'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.545 2.675 1 C3'-C2'-C1' 105.641 4.601 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.236 2 O4'-C1'-N19 114.696 6.496 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.546 0 C5'-C4'-C3' 110.558 -3.295 . 0.01 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.052 2 O4'-C1'-N19 112.714 4.514 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.902 2 O4'-C1'-N19 112.553 4.353 . 0.362 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.919 0 C4'-C3'-C2' 99.05 -3.65 . 0.413 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.076 0 O4'-C1'-N19 112.137 3.937 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.335 0 C5'-C4'-C3' 111.263 -2.825 . 0.885 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.363 0 O4'-C1'-N19 111.406 3.206 . 0.321 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.318 2 C5'-C4'-C3' 108.41 -4.727 . 0.621 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.806 0 O4'-C1'-N19 111.9 3.7 . 0.124 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.383 0 C4'-C3'-C2' 100.413 -2.287 . 0.443 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.401 0 C5'-C4'-C3' 111.074 -2.951 . 0.478 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.141 0 O4'-C1'-N19 111.115 2.915 . 0.813 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.05 0 O4'-C1'-N19 112.173 3.973 . 0.202 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.09 0 C5'-C4'-C3' 111.396 -2.736 . 0.134 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.242 1 C5'-C4'-C3' 108.421 -4.719 . 0.748 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C5'-C4'-C3' 111.229 -2.848 . 0.318 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.88 0 C5'-C4'-O4' 114.48 3.771 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.052 0 C4'-C3'-C2' 99.148 -3.552 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.087 0 C4'-C3'-C2' 99.46 -3.24 . 0.64 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.073 0 C5'-C4'-C3' 110.429 -3.381 . 0.646 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.07 0 O4'-C1'-N19 111.831 3.631 . 0.656 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.21 0 O4'-C1'-N19 112.085 3.885 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.671 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 t -136.64 -6.0 1.96 Allowed 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 -168.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -69.39 154.63 41.73 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.602 1.092 . . . . 0.0 112.225 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -100.62 15.06 58.87 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 126.553 2.025 . . . . 0.0 114.269 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.2 p -63.99 164.64 10.14 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.25 1.82 . . . . 0.0 113.048 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.49 -34.0 66.52 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -173.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -56.22 -56.55 19.6 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.294 1.038 . . . . 0.0 111.916 171.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.2 m -59.61 -39.46 84.32 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.817 1.247 . . . . 0.0 112.873 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.5 mtm-85 -64.1 -50.6 67.65 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.779 0.832 . . . . 0.0 111.833 174.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -65.53 -36.31 83.45 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -177.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -51.03 -45.77 61.38 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.19 1.396 . . . . 0.0 111.99 170.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.02 -48.06 66.74 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.404 0.682 . . . . 0.0 112.363 173.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -61.29 -32.27 72.11 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -55.12 -44.73 75.27 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.223 1.374 . . . . 0.0 112.856 174.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.7 -36.73 79.52 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.631 0.772 . . . . 0.0 112.876 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -73.7 -45.36 52.81 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.338 1.055 . . . . 0.0 111.954 173.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.8 tp -58.74 -31.68 68.54 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.901 1.681 . . . . 0.0 113.428 -177.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 53.5 mt -58.0 -23.06 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.938 1.295 . . . . 0.0 113.129 176.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.41 -18.83 63.79 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 171.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -114.97 -27.05 7.5 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.945 1.698 . . . . 0.0 113.323 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.255 14.4 ptp180 37.63 52.42 1.36 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 129.022 2.929 . . . . 0.0 114.197 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 127.913 2.485 . . . . 0.0 112.929 178.882 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.478 0 O4'-C1'-N19 110.468 2.268 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 0 C4'-C3'-C2' 99.572 -3.128 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.129 1 O4'-C1'-N19 112.57 4.37 . 0.8 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.342 1 O4'-C1'-N19 112.261 4.061 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.913 0 O4'-C1'-N19 111.518 3.318 . 0.835 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 1 C4'-C3'-C2' 98.548 -4.152 . 0.543 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.129 1 O4'-C1'-N19 112.52 4.32 . 0.3 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.306 0 O5'-C5'-C4' 113.528 2.377 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.157 0 O4'-C1'-N19 111.609 3.409 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.498 0 O4'-C1'-N19 110.551 2.351 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 C4'-C3'-C2' 100.059 -2.641 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 0 C5'-C4'-O4' 112.669 2.478 . 0.446 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ' A' . . . . . 0.409 ' C2 ' " H1'" ' B' ' 14' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.506 1 C5'-C4'-C3' 108.821 -4.453 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ' C' . . . . . 0.409 " H1'" ' C2 ' ' B' ' 13' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.538 2.155 1 C5'-C4'-C3' 109.01 -4.326 . 0.756 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.996 0 O4'-C1'-N19 112.136 3.936 . 0.346 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.932 0 C4'-C3'-C2' 99.178 -3.522 . 0.316 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 C4'-C3'-C2' 99.03 -3.67 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 C4'-C3'-C2' 99.185 -3.515 . 0.71 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.01 1 O4'-C1'-N19 112.644 4.444 . 0.57 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 0 C4'-C3'-C2' 99.663 -3.037 . 0.625 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.317 1 C5'-C4'-C3' 108.841 -4.44 . 0.701 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.319 0 C5'-C4'-C3' 111.19 -2.874 . 0.309 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.142 0 O4'-C1'-N19 111.678 3.478 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.353 0 O4'-C1'-N19 111.825 3.625 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.6 m 51.76 38.87 24.21 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.488 1.915 . . . . 0.0 115.242 173.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 167.74 4.31 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.283 1.433 . . . . 0.0 113.877 177.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.91 5.67 21.69 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 126.645 2.069 . . . . 0.0 114.378 -175.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.5 p -76.37 176.83 7.82 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.241 1.816 . . . . 0.0 112.983 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.41 -35.41 65.33 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.25 -0.906 . . . . 0.0 112.736 166.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -72.19 -40.5 67.84 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.251 1.02 . . . . 0.0 111.948 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 m -61.22 -44.16 97.71 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.371 1.068 . . . . 0.0 111.961 171.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -61.3 -41.62 97.28 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.815 1.646 . . . . 0.0 112.146 174.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -67.02 -40.53 87.28 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 173.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -56.15 -45.75 79.53 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.264 -0.897 . . . . 0.0 111.184 169.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.41 93.97 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.486 0.715 . . . . 0.0 112.639 173.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -53.32 -47.92 68.89 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.801 1.64 . . . . 0.0 112.061 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.2 mtp85 -61.9 -54.46 41.67 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.405 1.482 . . . . 0.0 112.301 171.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.5 -38.37 74.49 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.738 1.215 . . . . 0.0 113.7 -176.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -63.2 -47.31 83.1 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.931 0.892 . . . . 0.0 112.232 174.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.1 tp -60.06 -41.65 92.82 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.387 -0.821 . . . . 0.0 111.826 174.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.1 mt -67.58 -19.1 24.74 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 125.97 1.708 . . . . 0.0 112.766 175.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.26 -38.83 18.43 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.801 -1.187 . . . . 0.0 112.597 168.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -67.32 -42.06 84.24 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.442 1.097 . . . . 0.0 113.3 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 51.83 29.58 6.1 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 127.026 2.13 . . . . 0.0 114.768 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.4 ttt-85 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 127.213 2.205 . . . . 0.0 111.764 -175.89 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C3'-C2'-C1' 104.372 3.191 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.06 0 C5'-C4'-C3' 110.279 -3.48 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.212 1 O4'-C1'-N19 112.364 4.164 . 0.79 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.253 0 O4'-C1'-N19 112.165 3.965 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.082 0 C5'-C4'-C3' 110.522 -3.319 . 0.795 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.683 -3.017 . 0.877 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.129 0 C5'-C4'-C3' 110.983 -3.012 . 0.846 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.348 0 O4'-C1'-N19 111.551 3.351 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.014 0 O4'-C1'-N19 111.644 3.444 . 0.912 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.367 0 O4'-C1'-N19 111.687 3.487 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 100.113 -2.587 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 C5'-C4'-O4' 112.956 2.683 . 0.717 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.405 1 C4'-C3'-C2' 98.682 -4.018 . 0.34 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.466 1 O4'-C1'-N19 112.34 4.14 . 0.636 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.563 0 O4'-C1'-N19 112.172 3.972 . 0.523 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.99 0 C5'-C4'-C3' 111.595 -2.603 . 0.653 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 C4'-C3'-C2' 99.818 -2.882 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C4'-C3'-C2' 99.553 -3.147 . 0.765 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . 0.486 " H1'" ' C8 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.125 1 O4'-C1'-N19 112.405 4.205 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . 0.486 ' C8 ' " H1'" ' B' ' 19' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.541 2.354 0 O5'-C5'-C4' 115.793 3.995 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.317 0 C5'-C4'-C3' 111.012 -2.992 . 0.49 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 0 C5'-C4'-C3' 110.486 -3.343 . 0.84 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.269 0 O4'-C1'-N19 111.428 3.228 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.301 0 O4'-C1'-N19 111.496 3.296 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.5 t -65.53 137.58 57.5 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.011 1.325 . . . . 0.0 111.855 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -72.76 -14.49 61.55 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.217 1.407 . . . . 0.0 112.657 167.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.48 6.63 85.66 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 125.494 1.521 . . . . 0.0 114.517 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.6 p -111.91 170.8 7.9 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.067 1.747 . . . . 0.0 113.188 -174.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.09 -37.22 53.32 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.969 1.708 . . . . 0.0 114.267 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -66.17 -41.08 90.79 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.3 m -68.17 -43.35 78.37 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.614 0.766 . . . . 0.0 112.209 172.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.6 mtm105 -54.59 -51.29 65.76 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.074 0.95 . . . . 0.0 111.274 173.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -70.19 -37.98 75.22 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -59.05 -39.35 81.77 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.163 -0.961 . . . . 0.0 111.687 173.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.6 94.85 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 171.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.6 mmm-85 -61.42 -45.58 93.72 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 121.011 -1.056 . . . . 0.0 112.472 172.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -66.6 -26.49 67.12 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.501 1.12 . . . . 0.0 113.521 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.31 -47.6 55.68 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.769 0.827 . . . . 0.0 111.921 167.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -62.12 -28.22 69.48 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.843 -1.161 . . . . 0.0 113.361 175.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.45 -25.47 59.72 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.623 1.569 . . . . 0.0 113.638 175.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -49.94 -41.54 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.889 1.275 . . . . 0.0 111.162 176.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.11 -14.14 15.44 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 178.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -110.28 -7.52 14.83 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.796 1.639 . . . . 0.0 113.866 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.7 -7.57 5.63 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 . . . . . 0 C--O 1.253 1.263 0 C-N-CA 125.761 1.624 . . . . 0.0 112.431 176.417 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.501 0 O4'-C1'-N19 110.362 2.162 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 C4'-C3'-C2' 99.388 -3.312 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 0 C5'-C4'-C3' 110.191 -3.539 . 0.848 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.148 1 C5'-C4'-C3' 108.427 -4.716 . 0.828 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.98 0 C5'-C4'-C3' 110.097 -3.602 OUTLIER-EPSILON 0.416 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.029 1 P-O3'-C3' 125.911 5.176 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.868 1 O4'-C1'-N19 112.935 4.735 . 0.594 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.349 0 O4'-C1'-N19 111.384 3.184 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.342 0 O4'-C1'-N19 111.823 3.623 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 O4'-C1'-N19 111.068 2.868 . 0.601 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C4'-C3'-C2' 100.19 -2.51 . 0.514 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.41 0 O4'-C4'-C3' 108.761 2.329 . 0.486 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.329 0 C5'-C4'-C3' 111.383 -2.745 . 0.649 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.193 0 C5'-C4'-C3' 110.863 -3.091 . 0.702 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.203 0 O4'-C1'-N19 111.915 3.715 . 0.199 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.136 0 C5'-C4'-C3' 111.07 -2.953 . 0.829 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 2 C3'-C2'-C1' 105.672 4.636 . 0.631 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.625 1 O4'-C1'-N19 115.845 7.645 . 0.528 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.12 1 C3'-C2'-C1' 105.926 4.918 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.36 0 C4'-C3'-C2' 99.286 -3.414 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.125 0 C4'-C3'-C2' 99.58 -3.12 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.106 0 C5'-C4'-C3' 110.533 -3.312 . 0.763 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.214 0 O4'-C1'-N19 111.591 3.391 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.221 0 O4'-C1'-N19 111.654 3.454 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 p -141.72 134.99 29.35 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.206 1.403 . . . . 0.0 111.509 174.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -132.26 -174.99 3.6 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.816 1.646 . . . . 0.0 113.263 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.18 77.97 0.69 Allowed Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.333 1.444 . . . . 0.0 114.146 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.1 p -137.76 177.81 7.59 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.653 1.981 . . . . 0.0 110.203 166.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.469 ' HB2' ' C5 ' ' B' ' 7' ' ' ' C' . . . -75.21 -47.3 28.91 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 120.865 -1.147 . . . . 0.0 112.145 159.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -47.6 -50.84 23.08 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.864 1.666 . . . . 0.0 113.603 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.6 p -51.64 -48.54 63.3 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.113 1.765 . . . . 0.0 112.9 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -72.61 -38.96 67.65 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.321 1.848 . . . . 0.0 113.66 173.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -63.8 -27.28 69.07 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.497 1.519 . . . . 0.0 112.392 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -56.23 -39.54 72.7 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.887 1.275 . . . . 0.0 112.664 168.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.7 -40.24 73.0 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.113 -0.992 . . . . 0.0 112.514 171.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -57.36 -44.46 84.4 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.883 1.273 . . . . 0.0 112.14 175.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -59.97 -48.29 82.32 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 127.205 2.202 . . . . 0.0 112.757 171.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.77 -32.69 65.87 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -176.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -59.92 -39.86 86.87 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.109 0.964 . . . . 0.0 113.1 176.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.4 tp -70.97 -47.38 59.24 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.173 0.989 . . . . 0.0 111.341 172.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 63.6 mt -61.53 -32.33 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.358 1.063 . . . . 0.0 112.007 -176.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.21 -28.92 67.11 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 172.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -90.59 -28.05 18.7 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.51 1.124 . . . . 0.0 112.768 171.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -67.28 -32.35 73.28 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.674 1.59 . . . . 0.0 113.129 176.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 . . . . . 0 C--O 1.253 1.24 0 C-N-CA 127.772 2.429 . . . . 0.0 113.415 179.588 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.432 0 O4'-C1'-N19 111.572 3.372 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.521 0 N19-C1'-C2' 119.8 4.0 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 O4'-C1'-N19 111.248 3.048 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.924 0 C3'-C2'-C1' 103.967 2.741 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.538 1 P-O3'-C3' 124.837 4.28 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.073 0 C5'-C4'-C3' 111.559 -2.627 . 0.675 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.469 ' C5 ' ' HB2' ' A' ' 13' ' ' ALA . . . . . . . . 0 O4'--C4' 1.424 -2.417 2 C5'-C4'-C3' 108.387 -4.742 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.336 1 C5'-C4'-C3' 109.309 -4.128 . 0.68 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.376 1 C5'-C4'-C3' 108.007 -4.995 . 0.784 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 O4'-C1'-N19 111.954 3.754 . 0.745 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 C5'-C4'-C3' 112.106 -2.263 . 0.556 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.387 0 C4'-C3'-C2' 100.851 -1.849 . 0.774 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.429 -3.271 . 0.297 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.025 0 C5'-C4'-C3' 110.354 -3.431 . 0.892 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 O4'-C1'-N19 112.15 3.95 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.882 0 C5'-C4'-C3' 109.843 -3.771 . 0.172 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.17 0 C4'-C3'-C2' 99.391 -3.309 . 0.842 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 C4'-C3'-C2' 99.979 -2.721 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 1 O4'-C1'-N19 114.29 6.09 . 0.71 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.314 0 C4'-C3'-C2' 99.24 -3.46 . 0.44 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.162 1 C4'-C3'-C2' 98.587 -4.113 . 0.731 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 O5'-C5'-C4' 114.919 3.371 . 0.029 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 O4'-C1'-N19 110.81 2.61 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 O4'-C1'-N19 110.945 2.745 . 0.922 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 N--CA 1.488 1.441 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -59.35 -24.5 63.42 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -173.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -70.47 -14.76 62.67 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.358 1.463 . . . . 0.0 114.748 174.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.95 -65.89 2.54 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 126.092 1.806 . . . . 0.0 115.684 169.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.6 p -56.97 138.6 53.93 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -163.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.7 83.14 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.662 0.785 . . . . 0.0 112.046 174.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -63.65 -37.16 86.3 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.353 1.061 . . . . 0.0 113.166 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.6 t -76.86 -33.13 57.89 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.956 0.798 . . . . 0.0 113.03 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -64.74 -40.06 94.69 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 120.694 -1.254 . . . . 0.0 112.092 169.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -58.38 -46.95 85.35 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.186 1.394 . . . . 0.0 112.088 166.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -57.39 -31.43 65.8 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.19 -58.64 4.96 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 118.888 0.767 . . . . 0.0 111.742 169.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -48.47 -41.63 30.29 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 127.162 2.185 . . . . 0.0 113.25 174.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -51.7 -55.39 19.84 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.421 1.888 . . . . 0.0 112.542 174.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.1 -22.1 66.8 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -72.31 -49.79 31.93 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.077 -1.015 . . . . 0.0 111.317 168.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.7 tt -62.06 -46.44 89.1 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.785 1.634 . . . . 0.0 113.145 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.8 pp -62.28 -15.48 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.35 -20.67 65.61 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.777 0.831 . . . . 0.0 113.1 170.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -130.36 -13.98 3.82 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.936 1.695 . . . . 0.0 113.75 -177.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 42.05 59.35 2.62 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 128.0 2.52 . . . . 0.0 112.298 -169.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 128.391 2.676 . . . . 0.0 113.602 -173.725 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.317 0 C4'-C3'-C2' 99.785 -2.915 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.968 0 C5'-C4'-C3' 110.797 -3.135 . 0.91 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.403 0 O4'-C1'-N19 111.636 3.436 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.095 1 C5'-C4'-C3' 108.274 -4.817 . 0.725 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 0 C5'-C4'-C3' 110.728 -3.181 . 0.793 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.216 0 C4'-C3'-C2' 99.698 -3.002 . 0.861 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C5'-C4'-C3' 109.817 -3.789 . 0.807 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 0 O4'-C1'-N19 111.519 3.319 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.417 0 C5'-C4'-C3' 110.195 -3.537 . 0.684 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.341 1 O4'-C1'-N19 112.457 4.257 . 0.645 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 1 C5'-C4'-C3' 108.493 -4.671 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.207 1 P-O3'-C3' 125.828 5.106 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.123 1 P-O3'-C3' 124.993 4.411 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.291 0 O4'-C1'-N19 110.824 2.624 . 0.304 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 C4'-C3'-C2' 100.443 -2.257 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.29 0 C5'-C4'-C3' 111.034 -2.977 . 0.475 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.206 0 C5'-C4'-C3' 111.093 -2.938 . 0.788 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.056 0 C4'-C3'-C2' 99.065 -3.635 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.074 1 O4'-C1'-N19 113.031 4.831 . 0.669 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.107 0 O4'-C1'-N19 112.196 3.996 . 0.445 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.089 0 O5'-C5'-C4' 107.808 -1.709 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.55 0 C5'-C4'-C3' 109.519 -3.987 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.261 0 O4'-C1'-N19 111.126 2.926 . 0.465 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.379 0 O4'-C1'-N19 111.25 3.05 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 . . . . . 0 N--CA 1.487 1.413 0 N-CA-C 110.603 -0.147 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.3 m -60.45 124.62 20.88 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.897 1.279 . . . . 0.0 112.021 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -65.71 169.69 6.09 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.963 1.305 . . . . 0.0 112.211 174.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.73 -9.9 82.23 Favored Glycine 0 CA--C 1.536 1.352 0 N-CA-C 116.9 1.52 . . . . 0.0 116.9 -167.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.7 p -66.01 159.42 25.9 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.919 1.86 . . . . 0.0 112.181 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.23 85.9 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.679 -0.638 . . . . 0.0 111.736 176.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -62.04 -47.17 85.93 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.514 1.126 . . . . 0.0 111.974 175.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.7 m -63.94 -47.44 80.47 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.314 1.046 . . . . 0.0 112.734 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 -64.85 -40.44 95.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.744 0.818 . . . . 0.0 112.736 177.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -63.78 -24.0 67.59 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -61.28 -18.98 61.15 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.495 -1.378 . . . . 0.0 114.206 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.3 -43.07 98.88 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 121.276 -0.89 . . . . 0.0 112.483 166.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -42.93 96.85 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.737 1.615 . . . . 0.0 110.969 173.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -57.65 -52.06 66.97 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.408 1.083 . . . . 0.0 112.469 171.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.16 -42.45 77.04 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.658 0.783 . . . . 0.0 112.811 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -64.68 -47.78 77.14 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.686 0.794 . . . . 0.0 112.4 172.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.12 -37.19 76.62 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.209 1.004 . . . . 0.0 112.986 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 58.4 mt -67.11 -21.5 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 126.147 1.779 . . . . 0.0 112.692 175.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.34 -46.13 12.08 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.223 -0.923 . . . . 0.0 112.007 165.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -66.21 -27.9 68.34 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -176.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -67.16 -17.66 64.94 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 115.046 1.498 . . . . 0.0 115.046 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 126.603 1.961 . . . . 0.0 113.251 -169.589 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.306 0 C5'-C4'-C3' 111.469 -2.687 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.099 0 C4'-C3'-C2' 99.825 -2.875 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.166 0 O4'-C1'-N19 112.131 3.931 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.332 0 O4'-C1'-N19 111.759 3.559 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.208 0 C4'-C3'-C2' 99.657 -3.043 . 0.622 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.91 0 C5'-C4'-C3' 111.346 -2.769 . 0.949 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.296 1 O4'-C1'-N19 112.652 4.452 . 0.468 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C3'-C2'-C1' 104.679 3.532 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 O4'-C1'-N19 111.822 3.622 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.94 0 O4'-C1'-N19 111.8 3.6 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 99.688 -3.012 . 0.503 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.074 0 C5'-C4'-O4' 112.467 2.334 . 0.715 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 1 O5'-C5'-C4' 116.107 4.219 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.02 0 C5'-C4'-C3' 109.889 -3.741 . 0.544 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.127 0 O4'-C1'-N19 111.998 3.798 . 0.317 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.021 0 C5'-C4'-C3' 111.137 -2.909 . 0.227 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.118 0 C4'-C3'-C2' 99.743 -2.957 . 0.892 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.268 0 C4'-C3'-C2' 99.81 -2.89 . 0.889 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 1 O4'-C1'-N19 112.344 4.144 . 0.813 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.261 0 C4'-C3'-C2' 99.79 -2.91 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.448 0 C4'-C3'-C2' 99.77 -2.93 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.351 0 C5'-C4'-C3' 111.161 -2.893 . 0.891 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 0 O4'-C1'-N19 111.46 3.26 . 0.907 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.401 0 O4'-C1'-N19 111.668 3.468 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 N--CA 1.488 1.427 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.5 t 65.0 -51.42 0.34 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 127.691 2.396 . . . . 0.0 113.969 -166.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -132.99 173.05 11.83 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 127.954 2.502 . . . . 0.0 110.785 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -125.05 -0.74 8.15 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.122 1.344 . . . . 0.0 115.676 -176.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.4 p -73.67 156.2 38.21 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.133 1.466 . . . . 0.0 112.348 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.531 ' HB1' ' C5 ' ' B' ' 8' ' ' ' C' . . . -66.31 -33.59 76.08 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.213 -0.929 . . . . 0.0 113.018 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -58.31 -31.71 67.78 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.807 1.243 . . . . 0.0 113.376 169.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.0 m -79.54 -51.67 9.0 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.934 1.293 . . . . 0.0 111.957 172.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.9 mtp85 -54.5 -35.65 63.34 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 126.168 1.787 . . . . 0.0 113.188 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -61.17 -28.63 69.27 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -58.36 -42.77 87.67 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.142 0.883 . . . . 0.0 111.497 174.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.13 95.99 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.012 0.525 . . . . 0.0 111.923 174.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.8 mtm-85 -62.42 -41.89 99.04 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.371 1.069 . . . . 0.0 112.932 177.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -66.93 -44.39 80.8 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.813 1.245 . . . . 0.0 112.957 172.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.95 -21.47 63.48 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -176.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -58.89 -25.66 63.57 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.222 -0.924 . . . . 0.0 113.284 172.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.1 tp -67.15 -30.52 70.52 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.204 1.001 . . . . 0.0 112.98 173.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.99 -25.48 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.673 1.189 . . . . 0.0 111.988 -173.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.38 -17.1 58.22 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.017 1.327 . . . . 0.0 114.52 173.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -126.83 -36.12 2.24 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.472 1.509 . . . . 0.0 113.181 177.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.25 19.06 2.04 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 128.212 2.605 . . . . 0.0 115.38 176.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 . . . . . 0 C--O 1.253 1.263 0 C-N-CA 127.523 2.329 . . . . 0.0 111.629 -179.826 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.365 0 O4'-C1'-N19 111.723 3.523 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.862 0 O4'-C1'-N19 111.518 3.318 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 1 C3'-C2'-C1' 105.787 4.764 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.185 1 O4'-C1'-N19 112.711 4.511 . 0.21 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.08 1 O4'-C1'-N19 112.477 4.277 . 0.477 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C4'-C3'-C2' 99.66 -3.04 . 0.351 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.111 0 C5'-C4'-C3' 109.797 -3.802 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ' C' . . . . . 0.531 ' C5 ' ' HB1' ' A' ' 13' ' ' ALA . . . . . . . . 0 O4'--C4' 1.428 -2.111 0 C4'-C3'-C2' 99.973 -2.727 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 1 C5'-C4'-C3' 108.767 -4.489 . 0.379 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.405 0 O4'-C1'-N19 111.054 2.854 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 1 C4'-C3'-C2' 98.484 -4.216 . 0.395 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 O5'-C5'-C4' 114.693 3.209 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.506 1 C4'-C3'-C2' 98.278 -4.422 . 0.552 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.621 1 O4'-C1'-N19 112.836 4.636 . 0.446 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.415 0 O4'-C1'-N19 111.786 3.586 . 0.482 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.99 0 C4'-C3'-C2' 100.108 -2.592 . 0.724 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.956 0 O4'-C1'-N19 111.736 3.536 . 0.91 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.471 1 C5'-C4'-C3' 109.125 -4.25 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.033 1 C5'-C4'-C3' 109.351 -4.099 . 0.857 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.08 0 C4'-C3'-C2' 99.043 -3.657 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.07 0 C4'-C3'-C2' 99.15 -3.55 . 0.665 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.223 0 C5'-C4'-C3' 111.813 -2.458 . 0.692 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.048 0 O4'-C1'-N19 111.504 3.304 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.277 0 O4'-C1'-N19 111.508 3.308 . 0.842 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 111.473 0.175 . . . . 0.0 111.473 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.1 m -74.46 65.29 1.24 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.696 1.598 . . . . 0.0 113.05 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -63.57 -34.58 78.12 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.82 1.648 . . . . 0.0 113.299 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.27 -8.68 60.77 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 126.723 2.106 . . . . 0.0 114.386 -176.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.4 p -70.45 169.73 13.44 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.012 1.725 . . . . 0.0 112.618 171.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.02 -41.2 11.63 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.571 1.548 . . . . 0.0 115.002 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -64.05 -57.4 9.76 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 118.873 0.76 . . . . 0.0 111.988 -178.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.3 p -65.53 -36.06 82.71 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.5 ttp-105 -60.43 -46.79 88.75 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.302 1.441 . . . . 0.0 112.04 172.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -62.59 -43.11 99.63 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.772 0.714 . . . . 0.0 112.136 177.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -54.56 -50.23 68.47 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.914 0.886 . . . . 0.0 111.817 170.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.17 -45.31 87.72 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.603 0.761 . . . . 0.0 112.829 175.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.4 mtp85 -58.88 -51.76 68.64 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.767 1.227 . . . . 0.0 112.441 175.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.1 mtm105 -56.41 -39.82 73.68 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.142 0.977 . . . . 0.0 112.624 175.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.32 -47.74 63.57 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.945 1.298 . . . . 0.0 112.803 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -62.4 -35.68 79.97 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.224 -0.923 . . . . 0.0 112.562 176.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.9 tp -59.93 -25.08 64.87 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.454 1.502 . . . . 0.0 113.668 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.9 mt -53.84 -28.24 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 125.271 1.428 . . . . 0.0 112.192 175.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.58 -20.3 20.2 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 174.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -123.95 -22.97 4.73 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.416 1.486 . . . . 0.0 113.535 172.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.8 ttp85 -83.65 -16.59 44.55 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.246 1.818 . . . . 0.0 114.629 -177.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 . . . . . 0 C--O 1.253 1.287 0 C-N-CA 125.646 1.578 . . . . 0.0 112.571 172.628 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 100.034 -2.666 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.06 0 C4'-C3'-C2' 99.461 -3.239 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.228 1 O4'-C1'-N19 112.478 4.278 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.115 1 O4'-C1'-N19 112.534 4.334 . 0.59 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.108 1 C5'-C4'-C3' 109.1 -4.267 . 0.733 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.292 0 C4'-C3'-C2' 99.163 -3.537 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.188 1 C5'-C4'-C3' 107.875 -5.083 . 0.214 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.43 0 C4'-C3'-C2' 99.328 -3.372 . 0.616 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 O4'-C1'-N19 110.892 2.692 . 0.881 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . 0.4 " H3'" H5'' ' B' ' 11' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.407 0 C5'-C4'-C3' 110.61 -3.26 . 0.778 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . 0.4 H5'' " H3'" ' B' ' 10' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.056 0 O4'-C1'-N19 111.691 3.491 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 P-O3'-C3' 123.842 3.451 . 0.414 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.336 0 C5'-C4'-C3' 111.298 -2.801 . 0.106 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.024 0 C5'-C4'-C3' 110.522 -3.319 . 0.825 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.086 0 O4'-C1'-N19 112.076 3.876 . 0.274 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.257 0 C5'-C4'-C3' 110.847 -3.102 . 0.349 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.05 0 C5'-C4'-C3' 110.143 -3.571 . 0.946 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C4'-C3'-C2' 99.452 -3.248 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 1 O4'-C1'-N19 114.097 5.897 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.122 0 C5'-C4'-C3' 109.748 -3.834 . 0.236 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.949 0 C4'-C3'-C2' 100.148 -2.552 . 0.813 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.456 1 C5'-C4'-C3' 109.277 -4.149 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.199 0 O4'-C1'-N19 111.327 3.127 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 O4'-C1'-N19 111.368 3.168 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 119.362 -0.352 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m 64.62 -8.72 0.2 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 127.793 2.437 . . . . 0.0 117.305 173.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt 43.67 -107.28 0.1 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 128.992 2.917 . . . . 0.0 113.705 175.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.96 8.62 64.7 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.094 1.33 . . . . 0.0 115.966 177.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.8 p -64.84 167.73 7.2 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.83 1.252 . . . . 0.0 112.554 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.72 -40.55 75.9 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.421 -0.8 . . . . 0.0 111.672 171.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -64.32 -41.66 96.7 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.954 1.302 . . . . 0.0 112.504 175.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.6 m -62.68 -47.17 84.83 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.187 0.995 . . . . 0.0 111.901 175.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.5 mtm180 -68.34 -32.73 73.05 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.314 1.046 . . . . 0.0 112.968 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -62.47 -25.33 67.93 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 174.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -58.15 -29.19 65.38 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 120.846 -1.159 . . . . 0.0 113.407 174.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.8 -48.93 22.73 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.575 0.75 . . . . 0.0 111.854 167.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -61.36 -22.98 65.44 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 126.104 1.762 . . . . 0.0 114.523 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.43 HH12 ' NH1' ' A' ' 28' ' ' ARG . 19.9 mmm180 -46.8 -53.13 12.63 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.811 1.644 . . . . 0.0 111.861 166.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.54 -40.72 92.57 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.537 0.735 . . . . 0.0 112.88 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -65.55 -36.56 84.17 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.129 0.971 . . . . 0.0 112.372 176.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.8 tp -68.49 -49.95 55.94 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.294 1.038 . . . . 0.0 111.889 171.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 50.8 mt -53.8 -32.46 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.418 1.487 . . . . 0.0 112.106 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.18 -15.54 15.46 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -128.24 -29.08 2.52 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.065 1.346 . . . . 0.0 114.572 171.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.43 ' NH1' HH12 ' A' ' 21' ' ' ARG . 15.0 ttp180 -70.41 -33.24 71.13 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.896 1.679 . . . . 0.0 112.736 174.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 . . . . . 0 C--O 1.252 1.221 0 C-N-CA 127.065 2.146 . . . . 0.0 111.948 -165.203 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 1 O4'-C1'-N19 112.947 4.747 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.217 1 P-O3'-C3' 125.352 4.71 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.341 1 O4'-C1'-N19 113.46 5.26 . 0.79 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.005 1 O4'-C1'-N19 113.735 5.535 OUTLIER-EPSILON 0.18 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.031 1 P-O3'-C3' 125.797 5.081 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.208 0 C4'-C3'-C2' 99.05 -3.65 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.005 2 O4'-C1'-N19 112.463 4.263 . 0.54 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 C3'-C2'-C1' 104.291 3.101 . 0.187 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.168 0 O4'-C1'-N19 111.827 3.627 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.361 0 C5'-C4'-C3' 109.831 -3.779 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 O4'-C1'-N19 110.756 2.556 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 O4'-C4'-C3' 108.537 2.17 . 0.502 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.165 0 C4'-C3'-C2' 100.334 -2.366 . 0.508 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.097 0 O4'-C1'-N19 111.969 3.769 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.116 1 O4'-C1'-N19 112.39 4.19 . 0.622 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.803 0 C4'-C3'-C2' 99.844 -2.856 . 0.644 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.122 0 C4'-C3'-C2' 99.363 -3.337 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C5'-C4'-C3' 111.461 -2.692 . 0.831 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.154 1 C5'-C4'-C3' 109.474 -4.017 . 0.779 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.487 1 C3'-C2'-C1' 106.102 5.114 . 0.602 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.403 0 C4'-C3'-C2' 100.004 -2.696 . 0.67 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 3 O4'-C1'-N19 113.624 5.424 OUTLIER-DELTA 0.018 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.148 0 C4'-C3'-C2' 99.828 -2.872 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.278 0 O4'-C1'-N19 111.529 3.329 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 N--CA 1.472 0.638 0 CA-C-O 122.113 0.958 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.08 -29.38 70.25 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.845 -0.534 . . . . 0.0 112.423 176.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -59.59 -53.17 61.22 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.303 1.041 . . . . 0.0 112.505 174.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.7 m -73.04 -32.03 64.81 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -65.23 -43.73 90.53 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.369 -0.832 . . . . 0.0 112.293 166.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -60.84 -39.24 88.32 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.574 0.625 . . . . 0.0 111.822 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -58.93 -42.94 90.92 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.49 1.116 . . . . 0.0 112.827 171.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.34 99.02 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.557 -0.715 . . . . 0.0 111.735 170.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -62.26 -39.1 91.76 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.833 1.253 . . . . 0.0 112.878 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -59.99 -49.24 78.46 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.973 1.709 . . . . 0.0 110.65 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 173.729 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.7 p . . . . . 0 N--CA 1.477 0.902 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.49 -29.48 69.09 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.458 -0.777 . . . . 0.0 112.527 167.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -61.92 -50.49 71.97 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.353 1.061 . . . . 0.0 112.071 169.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.9 m -59.86 -39.51 85.45 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.227 1.011 . . . . 0.0 111.892 176.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -67.72 -37.23 81.94 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.364 1.466 . . . . 0.0 113.059 173.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -70.41 -39.0 74.72 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.077 -1.014 . . . . 0.0 112.556 175.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -53.38 -47.43 69.48 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.585 1.154 . . . . 0.0 111.889 169.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.47 -46.13 87.24 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.158 0.583 . . . . 0.0 112.533 173.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -67.57 -30.82 70.55 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -62.41 -46.29 89.26 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.246 1.418 . . . . 0.0 111.322 168.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.853 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 174.746 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.481 1.12 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.26 -37.84 70.34 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 120.729 -1.232 . . . . 0.0 112.688 170.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -61.59 -46.31 90.4 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.244 1.418 . . . . 0.0 111.46 172.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.3 m -60.79 -48.14 83.13 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.578 1.551 . . . . 0.0 112.241 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -59.74 -46.72 88.26 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.796 1.638 . . . . 0.0 111.767 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -57.93 -50.0 74.86 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.898 0.879 . . . . 0.0 112.223 172.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -59.75 -40.69 88.96 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.15 0.887 . . . . 0.0 112.529 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.97 -46.95 88.68 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.811 0.844 . . . . 0.0 112.268 171.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.3 ttp85 -61.19 -37.68 83.8 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.252 1.421 . . . . 0.0 113.373 175.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -59.11 -52.06 67.33 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.77 1.228 . . . . 0.0 111.171 168.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.795 0 C-N-CA 124.23 1.012 . . . . 0.0 113.215 176.381 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.2 p . . . . . 0 N--CA 1.476 0.841 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.32 -41.06 79.21 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.374 0.669 . . . . 0.0 112.147 174.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -62.03 -49.33 76.44 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.908 0.883 . . . . 0.0 112.249 173.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.5 m -63.96 -43.05 96.94 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.428 0.691 . . . . 0.0 112.232 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -69.39 -33.32 72.85 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.282 1.033 . . . . 0.0 113.202 175.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -66.32 -41.48 89.62 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.282 0.946 . . . . 0.0 112.531 169.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -61.83 -25.91 67.8 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.319 1.048 . . . . 0.0 113.571 177.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.36 96.46 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.369 -0.832 . . . . 0.0 112.306 167.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -60.32 -45.04 94.83 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.954 1.302 . . . . 0.0 111.31 174.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -56.77 -52.33 65.45 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.353 1.461 . . . . 0.0 111.769 173.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 124.308 1.043 . . . . 0.0 112.722 178.549 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.6 p . . . . . 0 N--CA 1.476 0.859 0 CA-C-O 121.174 0.511 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.26 -29.56 70.5 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.397 -0.815 . . . . 0.0 112.299 170.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -58.23 -55.96 28.24 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.488 1.515 . . . . 0.0 111.565 169.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.2 t -61.36 -44.13 97.69 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.312 1.045 . . . . 0.0 112.242 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.2 ttp85 -60.47 -43.55 96.81 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.487 1.515 . . . . 0.0 112.833 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -62.5 -48.26 80.32 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.192 0.997 . . . . 0.0 112.162 169.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -57.45 -37.99 73.73 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.832 0.853 . . . . 0.0 112.775 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.48 -52.35 65.99 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.07 0.85 . . . . 0.0 112.003 171.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -56.19 -43.88 78.88 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.961 1.304 . . . . 0.0 112.347 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -58.21 -62.02 2.14 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.47 1.908 . . . . 0.0 111.397 175.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.659 0 C-N-CA 126.101 1.76 . . . . 0.0 113.968 -174.308 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.2 p . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.59 -40.42 62.64 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.805 1.242 . . . . 0.0 113.529 172.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -63.85 -50.03 70.47 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.852 0.861 . . . . 0.0 112.275 172.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.7 m -57.48 -47.08 82.84 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.243 1.017 . . . . 0.0 111.622 178.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -55.35 -53.03 61.26 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 128.51 2.724 . . . . 0.0 112.123 174.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -65.62 -43.19 90.31 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -59.56 -42.67 92.96 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.829 0.851 . . . . 0.0 111.682 175.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.28 92.93 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.734 0.814 . . . . 0.0 112.572 170.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -55.91 -46.48 78.4 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.417 1.087 . . . . 0.0 112.188 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -61.25 -50.26 73.77 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.188 1.395 . . . . 0.0 111.954 173.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.69 0 C-N-CA 124.909 1.283 . . . . 0.0 113.965 -178.222 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.2 p . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 121.896 0.855 . . . . 0.0 113.048 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.49 -34.0 66.52 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -173.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -56.22 -56.55 19.6 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.294 1.038 . . . . 0.0 111.916 171.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.2 m -59.61 -39.46 84.32 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.817 1.247 . . . . 0.0 112.873 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.5 mtm-85 -64.1 -50.6 67.65 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.779 0.832 . . . . 0.0 111.833 174.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -65.53 -36.31 83.45 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -177.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -51.03 -45.77 61.38 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.19 1.396 . . . . 0.0 111.99 170.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.02 -48.06 66.74 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.404 0.682 . . . . 0.0 112.363 173.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -61.29 -32.27 72.11 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -55.12 -44.73 75.27 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.223 1.374 . . . . 0.0 112.856 174.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.785 0 C-N-CA 123.631 0.772 . . . . 0.0 112.876 178.128 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.5 p . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.41 -35.41 65.33 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.25 -0.906 . . . . 0.0 112.736 166.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -72.19 -40.5 67.84 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.251 1.02 . . . . 0.0 111.948 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 m -61.22 -44.16 97.71 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.371 1.068 . . . . 0.0 111.961 171.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -61.3 -41.62 97.28 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.815 1.646 . . . . 0.0 112.146 174.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -67.02 -40.53 87.28 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 173.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -56.15 -45.75 79.53 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.264 -0.897 . . . . 0.0 111.184 169.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.41 93.97 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.486 0.715 . . . . 0.0 112.639 173.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -53.32 -47.92 68.89 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.801 1.64 . . . . 0.0 112.061 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.2 mtp85 -61.9 -54.46 41.67 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.405 1.482 . . . . 0.0 112.301 171.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.696 0 C-N-CA 124.738 1.215 . . . . 0.0 113.7 -176.178 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.6 p . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.09 -37.22 53.32 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.969 1.708 . . . . 0.0 114.267 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -66.17 -41.08 90.79 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.3 m -68.17 -43.35 78.37 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.614 0.766 . . . . 0.0 112.209 172.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.6 mtm105 -54.59 -51.29 65.76 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.074 0.95 . . . . 0.0 111.274 173.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -70.19 -37.98 75.22 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -59.05 -39.35 81.77 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.163 -0.961 . . . . 0.0 111.687 173.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.6 94.85 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 171.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.6 mmm-85 -61.42 -45.58 93.72 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 121.011 -1.056 . . . . 0.0 112.472 172.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -66.6 -26.49 67.12 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.501 1.12 . . . . 0.0 113.521 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.674 0 C-N-CA 123.769 0.827 . . . . 0.0 111.921 167.614 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.21 -47.3 28.91 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 120.865 -1.147 . . . . 0.0 112.145 159.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -47.6 -50.84 23.08 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.864 1.666 . . . . 0.0 113.603 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.6 p -51.64 -48.54 63.3 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.113 1.765 . . . . 0.0 112.9 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -72.61 -38.96 67.65 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.321 1.848 . . . . 0.0 113.66 173.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -63.8 -27.28 69.07 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.497 1.519 . . . . 0.0 112.392 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -56.23 -39.54 72.7 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.887 1.275 . . . . 0.0 112.664 168.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.7 -40.24 73.0 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.113 -0.992 . . . . 0.0 112.514 171.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -57.36 -44.46 84.4 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.883 1.273 . . . . 0.0 112.14 175.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -59.97 -48.29 82.32 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 127.205 2.202 . . . . 0.0 112.757 171.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.771 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -176.819 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.7 83.14 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.662 0.785 . . . . 0.0 112.046 174.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -63.65 -37.16 86.3 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.353 1.061 . . . . 0.0 113.166 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.6 t -76.86 -33.13 57.89 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.956 0.798 . . . . 0.0 113.03 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -64.74 -40.06 94.69 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 120.694 -1.254 . . . . 0.0 112.092 169.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -58.38 -46.95 85.35 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.186 1.394 . . . . 0.0 112.088 166.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -57.39 -31.43 65.8 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.19 -58.64 4.96 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 118.888 0.767 . . . . 0.0 111.742 169.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -48.47 -41.63 30.29 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 127.162 2.185 . . . . 0.0 113.25 174.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -51.7 -55.39 19.84 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.421 1.888 . . . . 0.0 112.542 174.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.893 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 179.403 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 121.171 0.51 . . . . 0.0 112.181 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.23 85.9 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.679 -0.638 . . . . 0.0 111.736 176.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -62.04 -47.17 85.93 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.514 1.126 . . . . 0.0 111.974 175.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.7 m -63.94 -47.44 80.47 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.314 1.046 . . . . 0.0 112.734 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 -64.85 -40.44 95.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.744 0.818 . . . . 0.0 112.736 177.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -63.78 -24.0 67.59 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -61.28 -18.98 61.15 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.495 -1.378 . . . . 0.0 114.206 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.3 -43.07 98.88 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 121.276 -0.89 . . . . 0.0 112.483 166.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -42.93 96.85 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.737 1.615 . . . . 0.0 110.969 173.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -57.65 -52.06 66.97 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.408 1.083 . . . . 0.0 112.469 171.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.765 0 C-N-CA 123.658 0.783 . . . . 0.0 112.811 179.226 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.4 p . . . . . 0 N--CA 1.475 0.798 0 CA-C-O 121.416 0.627 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.31 -33.59 76.08 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.213 -0.929 . . . . 0.0 113.018 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -58.31 -31.71 67.78 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.807 1.243 . . . . 0.0 113.376 169.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.0 m -79.54 -51.67 9.0 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.934 1.293 . . . . 0.0 111.957 172.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.9 mtp85 -54.5 -35.65 63.34 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 126.168 1.787 . . . . 0.0 113.188 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -61.17 -28.63 69.27 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -58.36 -42.77 87.67 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.142 0.883 . . . . 0.0 111.497 174.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.13 95.99 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.012 0.525 . . . . 0.0 111.923 174.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.8 mtm-85 -62.42 -41.89 99.04 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.371 1.069 . . . . 0.0 112.932 177.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -66.93 -44.39 80.8 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.813 1.245 . . . . 0.0 112.957 172.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.698 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -176.018 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.4 p . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.02 -41.2 11.63 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.571 1.548 . . . . 0.0 115.002 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -64.05 -57.4 9.76 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 118.873 0.76 . . . . 0.0 111.988 -178.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.3 p -65.53 -36.06 82.71 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.5 ttp-105 -60.43 -46.79 88.75 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.302 1.441 . . . . 0.0 112.04 172.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -62.59 -43.11 99.63 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.772 0.714 . . . . 0.0 112.136 177.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -54.56 -50.23 68.47 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.914 0.886 . . . . 0.0 111.817 170.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.17 -45.31 87.72 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.603 0.761 . . . . 0.0 112.829 175.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.4 mtp85 -58.88 -51.76 68.64 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.767 1.227 . . . . 0.0 112.441 175.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.1 mtm105 -56.41 -39.82 73.68 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.142 0.977 . . . . 0.0 112.624 175.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.7 0 C-N-CA 124.945 1.298 . . . . 0.0 112.803 178.477 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.8 p . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.72 -40.55 75.9 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.421 -0.8 . . . . 0.0 111.672 171.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -64.32 -41.66 96.7 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.954 1.302 . . . . 0.0 112.504 175.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.6 m -62.68 -47.17 84.83 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.187 0.995 . . . . 0.0 111.901 175.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.5 mtm180 -68.34 -32.73 73.05 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.314 1.046 . . . . 0.0 112.968 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -62.47 -25.33 67.93 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 174.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -58.15 -29.19 65.38 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 120.846 -1.159 . . . . 0.0 113.407 174.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.8 -48.93 22.73 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.575 0.75 . . . . 0.0 111.854 167.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -61.36 -22.98 65.44 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 126.104 1.762 . . . . 0.0 114.523 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -46.8 -53.13 12.63 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.811 1.644 . . . . 0.0 111.861 166.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.721 0 C-N-CA 123.537 0.735 . . . . 0.0 112.88 179.222 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 110.729 -0.1 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 2.4 0.9 OUTLIER -68.58 15.3 0.06 Allowed 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 119.074 2.99 . . . . 0.0 119.074 -136.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -68.05 110.88 4.14 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.671 1.588 . . . . 0.0 110.075 168.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.33 3.4 47.69 Favored Glycine 0 CA--C 1.535 1.319 0 O-C-N 121.554 -0.716 . . . . 0.0 112.64 156.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.4 p -60.35 156.45 15.74 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.225 1.512 . . . . 0.0 112.547 -177.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.08 -29.38 70.25 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.845 -0.534 . . . . 0.0 112.423 176.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -59.59 -53.17 61.22 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.303 1.041 . . . . 0.0 112.505 174.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.7 m -73.04 -32.03 64.81 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 -176.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -65.23 -43.73 90.53 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.369 -0.832 . . . . 0.0 112.293 166.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -60.84 -39.24 88.32 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.574 0.625 . . . . 0.0 111.822 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -58.93 -42.94 90.92 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.49 1.116 . . . . 0.0 112.827 171.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.34 99.02 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.557 -0.715 . . . . 0.0 111.735 170.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -62.26 -39.1 91.76 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.833 1.253 . . . . 0.0 112.878 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -59.99 -49.24 78.46 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.973 1.709 . . . . 0.0 110.65 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.48 -37.79 76.26 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 173.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -68.46 -38.66 81.31 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.962 -1.086 . . . . 0.0 112.806 171.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.14 -30.36 71.53 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.137 -0.977 . . . . 0.0 111.813 169.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.7 mt -67.79 -22.26 28.03 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 O-C-N 120.183 -1.573 . . . . 0.0 111.703 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.11 -4.9 57.87 Favored 'General case' 0 CA--C 1.555 1.171 0 N-CA-C 114.565 1.321 . . . . 0.0 114.565 165.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -134.54 9.66 3.69 Favored 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 116.411 2.004 . . . . 0.0 116.411 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -32.94 -83.49 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 129.318 3.047 . . . . 0.0 114.286 -173.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.3 mtt85 . . . . . 0 C--O 1.253 1.288 0 C-N-CA 131.499 3.92 . . . . 0.0 114.028 146.528 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 1 C3'-C2'-C1' 105.222 4.136 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C4'-C3'-C2' 98.8 -3.9 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 2 O4'-C1'-N19 113.064 4.864 . 0.716 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.042 1 O4'-C1'-N19 112.398 4.198 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.187 1 C5'-C4'-C3' 109.102 -4.265 . 0.562 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.279 0 C5'-C4'-O4' 113.825 3.304 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.218 1 C5'-C4'-C3' 107.373 -5.418 . 0.403 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.443 0 O4'-C1'-N19 112.19 3.99 . 0.119 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.364 0 C5'-C4'-C3' 110.055 -3.63 . 0.286 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 2 C5'-C4'-C3' 108.702 -4.532 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.808 0 C1'-O4'-C4' 107.315 -2.538 . 0.502 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 C4'-C3'-C2' 99.808 -2.892 . 0.639 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.471 0 C4'-C3'-C2' 99.72 -2.98 . 0.232 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.981 0 O4'-C1'-N19 111.763 3.563 . 0.727 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.07 0 O4'-C1'-N19 111.937 3.737 . 0.264 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.982 0 C5'-C4'-C3' 110.729 -3.18 . 0.516 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.319 0 C4'-C3'-C2' 99.773 -2.927 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.291 1 C5'-C4'-C3' 109.14 -4.24 . 0.656 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.263 2 O4'-C1'-N19 113.083 4.883 . 0.468 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.196 0 C4'-C3'-C2' 99.14 -3.56 . 0.48 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 1 C4'-C3'-C2' 98.351 -4.349 . 0.411 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.291 0 C5'-C4'-C3' 110.223 -3.518 . 0.411 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.304 0 C4'-C3'-C2' 99.147 -3.553 . 0.476 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 1 O4'-C1'-N19 112.436 4.236 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.867 0.365 . . . . 0.0 110.565 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.0 m -69.68 -7.53 39.96 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.729 1.752 . . . . 0.0 115.729 -174.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -67.42 27.09 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 128.811 2.844 . . . . 0.0 116.344 -172.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.7 8.43 63.79 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 126.362 1.934 . . . . 0.0 114.273 169.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.7 p -61.63 162.34 8.56 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.71 1.604 . . . . 0.0 114.163 -174.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.49 -29.48 69.09 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.458 -0.777 . . . . 0.0 112.527 167.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -61.92 -50.49 71.97 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.353 1.061 . . . . 0.0 112.071 169.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.9 m -59.86 -39.51 85.45 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.227 1.011 . . . . 0.0 111.892 176.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -67.72 -37.23 81.94 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.364 1.466 . . . . 0.0 113.059 173.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -70.41 -39.0 74.72 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.077 -1.014 . . . . 0.0 112.556 175.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -53.38 -47.43 69.48 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.585 1.154 . . . . 0.0 111.889 169.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.47 -46.13 87.24 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.158 0.583 . . . . 0.0 112.533 173.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -67.57 -30.82 70.55 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -62.41 -46.29 89.26 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.246 1.418 . . . . 0.0 111.322 168.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.28 80.04 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -67.07 -45.32 77.71 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.72 0.808 . . . . 0.0 112.569 170.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.83 -32.26 69.24 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.014 1.325 . . . . 0.0 112.931 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 58.5 mt -64.0 -16.13 18.21 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 125.343 1.457 . . . . 0.0 113.223 174.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.66 -20.54 33.4 Favored 'General case' 0 CA--C 1.55 0.963 0 O-C-N 120.709 -1.244 . . . . 0.0 113.684 167.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -97.89 -36.48 10.15 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.435 1.494 . . . . 0.0 112.954 -177.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 56.67 22.72 7.06 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 127.772 2.429 . . . . 0.0 115.671 172.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.669 1.988 . . . . 0.0 112.814 175.406 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.579 0 C3'-C2'-C1' 103.545 2.272 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.555 1 O5'-C5'-C4' 116.022 4.159 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 1 O4'-C1'-N19 112.397 4.197 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 1 O4'-C1'-N19 112.244 4.044 . 0.715 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.022 0 O4'-C1'-N19 111.431 3.231 . 0.899 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 C4'-C3'-C2' 99.598 -3.102 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.088 0 C5'-C4'-C3' 110.07 -3.62 . 0.867 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.208 1 C5'-C4'-C3' 109.498 -4.001 . 0.424 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.063 0 O4'-C1'-N19 111.801 3.601 . 0.197 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.3 0 O4'-C1'-N19 110.74 2.54 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 100.33 -2.37 . 0.553 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.193 0 C4'-C3'-C2' 100.469 -2.231 . 0.43 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.844 0 C4'-C3'-C2' 99.314 -3.386 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.939 0 O4'-C1'-N19 111.993 3.793 . 0.898 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.984 1 O4'-C1'-N19 112.316 4.116 . 0.264 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.184 0 C5'-C4'-C3' 110.615 -3.257 . 0.678 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.016 0 C5'-C4'-C3' 109.903 -3.731 . 0.919 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.387 0 C4'-C3'-C2' 99.246 -3.454 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.997 0 C5'-C4'-C3' 110.535 -3.31 . 0.857 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.165 0 C4'-C3'-C2' 99.678 -3.022 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.352 0 C4'-C3'-C2' 99.486 -3.214 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 0 C5'-C4'-C3' 110.582 -3.278 . 0.753 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 1 O4'-C1'-N19 112.598 4.398 . 0.56 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 1 O5'-C5'-C4' 115.948 4.105 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 110.594 -0.15 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t -79.46 46.28 0.73 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.198 1.399 . . . . 0.0 113.171 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -72.07 167.92 19.21 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.462 1.505 . . . . 0.0 112.946 175.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.13 33.97 1.45 Allowed Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.32 1.438 . . . . 0.0 114.576 -170.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.3 p -67.71 172.75 4.91 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.795 1.238 . . . . 0.0 112.277 175.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.26 -37.84 70.34 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 120.729 -1.232 . . . . 0.0 112.688 170.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.524 ' HG2' ' H41' ' B' ' 8' ' ' ' C' . 41.2 mttm -61.59 -46.31 90.4 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.244 1.418 . . . . 0.0 111.46 172.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.3 m -60.79 -48.14 83.13 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.578 1.551 . . . . 0.0 112.241 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -59.74 -46.72 88.26 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.796 1.638 . . . . 0.0 111.767 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -57.93 -50.0 74.86 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.898 0.879 . . . . 0.0 112.223 172.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -59.75 -40.69 88.96 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.15 0.887 . . . . 0.0 112.529 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.97 -46.95 88.68 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.811 0.844 . . . . 0.0 112.268 171.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.3 ttp85 -61.19 -37.68 83.8 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.252 1.421 . . . . 0.0 113.373 175.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -59.11 -52.06 67.33 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.77 1.228 . . . . 0.0 111.171 168.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.02 81.28 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.23 1.012 . . . . 0.0 113.215 176.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -61.86 -35.41 78.21 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.15 -0.969 . . . . 0.0 112.856 173.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.2 tt -69.43 -51.6 34.75 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.956 0.902 . . . . 0.0 111.95 173.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 pt -67.46 -15.18 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.53 -14.81 62.66 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 166.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -125.89 -19.27 4.89 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.095 1.758 . . . . 0.0 113.481 -176.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 51.28 51.13 17.54 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.376 2.271 . . . . 0.0 112.611 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 . . . . . 0 C--O 1.253 1.287 0 C-N-CA 127.01 2.124 . . . . 0.0 113.111 179.334 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.553 0 C4'-C3'-C2' 100.271 -2.429 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.08 0 C4'-C3'-C2' 99.483 -3.217 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.121 1 O4'-C1'-N19 112.469 4.269 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.218 0 O4'-C1'-N19 112.094 3.894 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.062 0 C5'-C4'-C3' 110.807 -3.129 . 0.874 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.175 0 C4'-C3'-C2' 99.657 -3.043 . 0.869 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.023 1 C5'-C4'-C3' 109.038 -4.308 . 0.821 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ' C' . . . . . 0.524 ' H41' ' HG2' ' A' ' 14' ' ' LYS . . . . . . . . 0 C5'--C4' 1.541 2.385 0 O4'-C1'-N19 111.039 2.839 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 1 C5'-C4'-C3' 108.435 -4.71 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 O4'-C1'-N19 111.768 3.568 . 0.916 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 O4'-C1'-N19 111.905 3.705 . 0.286 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C4'-C3'-C2' 100.174 -2.526 . 0.353 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.504 0 C5'-C4'-C3' 111.606 -2.596 . 0.055 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.074 0 O4'-C1'-N19 111.268 3.068 . 0.891 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.068 0 O4'-C1'-N19 112.116 3.916 . 0.47 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.903 0 C5'-C4'-C3' 111.073 -2.952 . 0.528 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.306 0 C4'-C3'-C2' 100.275 -2.425 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 C5'-C4'-C3' 110.938 -3.042 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 0 O4'-C1'-N19 112.083 3.883 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.344 0 C4'-C3'-C2' 100.037 -2.663 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.192 0 C5'-C4'-C3' 110.237 -3.509 . 0.869 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 C5'-C4'-C3' 110.35 -3.433 . 0.857 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.094 0 O4'-C1'-N19 111.648 3.448 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.366 0 O4'-C1'-N19 111.424 3.224 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 120.645 0.26 . . . . 0.0 111.599 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 m -71.03 -20.63 62.36 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -92.4 -77.87 0.43 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.602 1.561 . . . . 0.0 112.323 -176.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.66 4.11 69.46 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.211 1.386 . . . . 0.0 115.376 -176.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.2 p -68.02 163.58 21.99 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 119.054 1.427 . . . . 0.0 112.433 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.32 -41.06 79.21 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.374 0.669 . . . . 0.0 112.147 174.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -62.03 -49.33 76.44 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.908 0.883 . . . . 0.0 112.249 173.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.5 m -63.96 -43.05 96.94 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.428 0.691 . . . . 0.0 112.232 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -69.39 -33.32 72.85 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.282 1.033 . . . . 0.0 113.202 175.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -66.32 -41.48 89.62 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.282 0.946 . . . . 0.0 112.531 169.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -61.83 -25.91 67.8 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.319 1.048 . . . . 0.0 113.571 177.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.36 96.46 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.369 -0.832 . . . . 0.0 112.306 167.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -60.32 -45.04 94.83 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.954 1.302 . . . . 0.0 111.31 174.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -56.77 -52.33 65.45 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.353 1.461 . . . . 0.0 111.769 173.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.5 -44.31 89.39 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.308 1.043 . . . . 0.0 112.722 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.31 -43.85 95.96 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.88 0.872 . . . . 0.0 112.419 174.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.5 tp -61.71 -46.47 89.53 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.665 0.786 . . . . 0.0 112.306 174.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 63.9 mt -63.59 -23.36 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.864 1.666 . . . . 0.0 112.835 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.99 -50.17 10.78 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.823 1.249 . . . . 0.0 112.332 166.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -64.34 -32.92 74.72 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.202 1.401 . . . . 0.0 114.072 -175.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -65.0 -17.05 64.1 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.372 1.869 . . . . 0.0 113.201 -171.035 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.372 0 C4'-C3'-O3' 116.612 2.312 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 1 O4'-C1'-N19 112.602 4.402 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 O4'-C1'-N19 111.141 2.941 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.192 1 O4'-C1'-N19 112.247 4.047 . 0.709 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.054 0 O4'-C1'-N19 111.831 3.631 . 0.83 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.469 1 C5'-C4'-C3' 109.449 -4.034 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.122 1 C5'-C4'-C3' 108.28 -4.814 . 0.806 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.966 0 C3'-C2'-C1' 104.95 3.834 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.049 0 O4'-C1'-N19 111.812 3.612 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.327 0 O4'-C1'-N19 111.413 3.213 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.342 1 C2'-C3'-O3' 122.656 4.163 OUTLIER-EPSILON 0.209 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.183 1 P-O3'-C3' 125.637 4.948 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.537 1 C4'-C3'-C2' 98.204 -4.496 . 0.281 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.117 0 O4'-C1'-N19 112.155 3.955 . 0.492 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.159 1 O4'-C1'-N19 112.494 4.294 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.908 0 C5'-C4'-C3' 110.269 -3.487 . 0.522 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.197 0 C4'-C3'-C2' 100.388 -2.312 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.401 0 C5'-C4'-C3' 110.038 -3.641 . 0.826 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.935 1 C5'-C4'-C3' 108.558 -4.628 . 0.871 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 C4'-C3'-C2' 99.205 -3.495 . 0.878 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.299 0 C4'-C3'-C2' 99.196 -3.504 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 C5'-C4'-C3' 111.364 -2.757 . 0.762 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.078 0 O4'-C1'-N19 111.37 3.17 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.44 0 O4'-C1'-N19 111.524 3.324 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 119.549 -0.262 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.6 m -50.65 -45.45 57.87 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.323 1.449 . . . . 0.0 114.263 -173.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.21 -11.66 61.05 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.028 1.731 . . . . 0.0 114.292 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -106.71 -1.04 36.89 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 126.624 2.059 . . . . 0.0 114.24 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.6 p -59.71 154.34 18.23 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 118.627 1.213 . . . . 0.0 111.764 175.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.26 -29.56 70.5 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.397 -0.815 . . . . 0.0 112.299 170.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -58.23 -55.96 28.24 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.488 1.515 . . . . 0.0 111.565 169.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.2 t -61.36 -44.13 97.69 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.312 1.045 . . . . 0.0 112.242 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.2 ttp85 -60.47 -43.55 96.81 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.487 1.515 . . . . 0.0 112.833 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -62.5 -48.26 80.32 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.192 0.997 . . . . 0.0 112.162 169.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -57.45 -37.99 73.73 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.832 0.853 . . . . 0.0 112.775 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.48 -52.35 65.99 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.07 0.85 . . . . 0.0 112.003 171.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.6 ttt-85 -56.19 -43.88 78.88 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.961 1.304 . . . . 0.0 112.347 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -58.21 -62.02 2.14 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.47 1.908 . . . . 0.0 111.397 175.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.46 -38.59 69.28 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.101 1.76 . . . . 0.0 113.968 -174.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -63.5 -26.1 68.56 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.7 tp -67.49 -33.68 75.6 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.873 -1.142 . . . . 0.0 112.229 173.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.2 mp -71.73 -23.41 22.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 124.816 1.246 . . . . 0.0 111.214 175.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.72 -47.68 14.89 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.166 0.987 . . . . 0.0 112.529 169.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -72.82 -29.71 63.46 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 47.54 51.19 14.09 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 127.591 2.356 . . . . 0.0 113.62 176.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.66 1.984 . . . . 0.0 112.951 178.205 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.229 0 C4'-C3'-C2' 100.009 -2.691 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.047 0 C5'-C4'-C3' 110.984 -3.011 . 0.921 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.167 1 O4'-C1'-N19 112.569 4.369 . 0.742 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.102 0 O4'-C1'-N19 112.073 3.873 . 0.614 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 0 C5'-C4'-C3' 110.381 -3.412 . 0.786 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 C4'-C3'-C2' 99.097 -3.603 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.101 1 C5'-C4'-C3' 106.808 -5.795 . 0.869 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.126 0 C5'-C4'-C3' 110.877 -3.082 . 0.487 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.332 1 C5'-C4'-C3' 108.545 -4.637 . 0.747 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.38 0 C5'-C4'-C3' 110.262 -3.492 . 0.897 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 C1'-O4'-C4' 107.465 -2.373 . 0.3 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 100.085 -2.615 . 0.422 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 C4'-C3'-C2' 99.912 -2.788 . 0.48 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.961 0 C5'-C4'-C3' 110.221 -3.519 . 0.771 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.137 0 O4'-C1'-N19 111.848 3.648 . 0.403 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.977 0 C5'-C4'-C3' 111.296 -2.803 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.065 0 C4'-C3'-C2' 99.52 -3.18 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.352 0 O4'-C1'-N19 111.388 3.188 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 1 O4'-C1'-N19 114.836 6.636 OUTLIER-EPSILON 0.727 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.264 1 P-O3'-C3' 126.184 5.403 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.233 0 C5'-C4'-C3' 110.649 -3.234 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.137 0 C5'-C4'-C3' 110.665 -3.223 . 0.817 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.178 0 O4'-C1'-N19 111.501 3.301 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.241 0 O4'-C1'-N19 111.179 2.979 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 120.84 0.352 . . . . 0.0 111.88 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -135.78 -177.22 4.58 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.846 1.658 . . . . 0.0 111.37 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -61.83 -26.93 68.41 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.406 2.282 . . . . 0.0 114.02 -171.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.3 7.42 88.55 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 125.182 1.372 . . . . 0.0 114.873 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.2 p -68.0 170.7 7.86 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.847 1.659 . . . . 0.0 112.92 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.59 -40.42 62.64 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.805 1.242 . . . . 0.0 113.529 172.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -63.85 -50.03 70.47 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.852 0.861 . . . . 0.0 112.275 172.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.7 m -57.48 -47.08 82.84 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.243 1.017 . . . . 0.0 111.622 178.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -55.35 -53.03 61.26 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 128.51 2.724 . . . . 0.0 112.123 174.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -65.62 -43.19 90.31 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -59.56 -42.67 92.96 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.829 0.851 . . . . 0.0 111.682 175.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.28 92.93 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.734 0.814 . . . . 0.0 112.572 170.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -55.91 -46.48 78.4 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.417 1.087 . . . . 0.0 112.188 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -61.25 -50.26 73.77 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.188 1.395 . . . . 0.0 111.954 173.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.93 91.56 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.909 1.283 . . . . 0.0 113.965 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -63.95 -21.98 66.72 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -175.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.62 -32.12 73.08 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.93 0.892 . . . . 0.0 112.799 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.0 mp -66.28 -17.8 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.992 1.317 . . . . 0.0 112.323 -175.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.76 -16.43 62.75 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.271 1.212 . . . . 0.0 114.271 171.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -129.02 -37.43 1.7 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.91 1.284 . . . . 0.0 114.084 -177.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 59.99 15.56 5.15 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 127.339 2.256 . . . . 0.0 115.156 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 . . . . . 0 C--O 1.253 1.277 0 C-N-CA 128.248 2.619 . . . . 0.0 112.898 179.443 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . 0.419 " H2'" ' N3 ' ' B' ' 1' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.545 2.675 1 C3'-C2'-C1' 105.641 4.601 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.236 2 O4'-C1'-N19 114.696 6.496 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.546 0 C5'-C4'-C3' 110.558 -3.295 . 0.01 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.052 2 O4'-C1'-N19 112.714 4.514 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.902 2 O4'-C1'-N19 112.553 4.353 . 0.362 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.919 0 C4'-C3'-C2' 99.05 -3.65 . 0.413 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.076 0 O4'-C1'-N19 112.137 3.937 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.335 0 C5'-C4'-C3' 111.263 -2.825 . 0.885 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.363 0 O4'-C1'-N19 111.406 3.206 . 0.321 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.318 2 C5'-C4'-C3' 108.41 -4.727 . 0.621 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.806 0 O4'-C1'-N19 111.9 3.7 . 0.124 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.383 0 C4'-C3'-C2' 100.413 -2.287 . 0.443 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.401 0 C5'-C4'-C3' 111.074 -2.951 . 0.478 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.141 0 O4'-C1'-N19 111.115 2.915 . 0.813 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.05 0 O4'-C1'-N19 112.173 3.973 . 0.202 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.09 0 C5'-C4'-C3' 111.396 -2.736 . 0.134 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.242 1 C5'-C4'-C3' 108.421 -4.719 . 0.748 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C5'-C4'-C3' 111.229 -2.848 . 0.318 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.88 0 C5'-C4'-O4' 114.48 3.771 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.052 0 C4'-C3'-C2' 99.148 -3.552 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.087 0 C4'-C3'-C2' 99.46 -3.24 . 0.64 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.073 0 C5'-C4'-C3' 110.429 -3.381 . 0.646 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.07 0 O4'-C1'-N19 111.831 3.631 . 0.656 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.21 0 O4'-C1'-N19 112.085 3.885 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.671 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 t -136.64 -6.0 1.96 Allowed 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 -168.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -69.39 154.63 41.73 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.602 1.092 . . . . 0.0 112.225 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -100.62 15.06 58.87 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 126.553 2.025 . . . . 0.0 114.269 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.2 p -63.99 164.64 10.14 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.25 1.82 . . . . 0.0 113.048 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.49 -34.0 66.52 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -173.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -56.22 -56.55 19.6 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.294 1.038 . . . . 0.0 111.916 171.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.2 m -59.61 -39.46 84.32 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.817 1.247 . . . . 0.0 112.873 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.5 mtm-85 -64.1 -50.6 67.65 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.779 0.832 . . . . 0.0 111.833 174.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -65.53 -36.31 83.45 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -177.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -51.03 -45.77 61.38 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.19 1.396 . . . . 0.0 111.99 170.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.02 -48.06 66.74 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.404 0.682 . . . . 0.0 112.363 173.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -61.29 -32.27 72.11 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -55.12 -44.73 75.27 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.223 1.374 . . . . 0.0 112.856 174.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.7 -36.73 79.52 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.631 0.772 . . . . 0.0 112.876 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -73.7 -45.36 52.81 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.338 1.055 . . . . 0.0 111.954 173.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.8 tp -58.74 -31.68 68.54 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.901 1.681 . . . . 0.0 113.428 -177.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 53.5 mt -58.0 -23.06 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.938 1.295 . . . . 0.0 113.129 176.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.41 -18.83 63.79 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 171.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -114.97 -27.05 7.5 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.945 1.698 . . . . 0.0 113.323 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.255 14.4 ptp180 37.63 52.42 1.36 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 129.022 2.929 . . . . 0.0 114.197 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 127.913 2.485 . . . . 0.0 112.929 178.882 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.478 0 O4'-C1'-N19 110.468 2.268 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 0 C4'-C3'-C2' 99.572 -3.128 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.129 1 O4'-C1'-N19 112.57 4.37 . 0.8 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.342 1 O4'-C1'-N19 112.261 4.061 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.913 0 O4'-C1'-N19 111.518 3.318 . 0.835 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 1 C4'-C3'-C2' 98.548 -4.152 . 0.543 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.129 1 O4'-C1'-N19 112.52 4.32 . 0.3 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.306 0 O5'-C5'-C4' 113.528 2.377 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.157 0 O4'-C1'-N19 111.609 3.409 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.498 0 O4'-C1'-N19 110.551 2.351 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 C4'-C3'-C2' 100.059 -2.641 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 0 C5'-C4'-O4' 112.669 2.478 . 0.446 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ' A' . . . . . 0.409 ' C2 ' " H1'" ' B' ' 14' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.506 1 C5'-C4'-C3' 108.821 -4.453 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ' C' . . . . . 0.409 " H1'" ' C2 ' ' B' ' 13' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.538 2.155 1 C5'-C4'-C3' 109.01 -4.326 . 0.756 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.996 0 O4'-C1'-N19 112.136 3.936 . 0.346 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.932 0 C4'-C3'-C2' 99.178 -3.522 . 0.316 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 C4'-C3'-C2' 99.03 -3.67 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 C4'-C3'-C2' 99.185 -3.515 . 0.71 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.01 1 O4'-C1'-N19 112.644 4.444 . 0.57 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 0 C4'-C3'-C2' 99.663 -3.037 . 0.625 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.317 1 C5'-C4'-C3' 108.841 -4.44 . 0.701 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.319 0 C5'-C4'-C3' 111.19 -2.874 . 0.309 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.142 0 O4'-C1'-N19 111.678 3.478 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.353 0 O4'-C1'-N19 111.825 3.625 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.6 m 51.76 38.87 24.21 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.488 1.915 . . . . 0.0 115.242 173.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 167.74 4.31 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.283 1.433 . . . . 0.0 113.877 177.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.91 5.67 21.69 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 126.645 2.069 . . . . 0.0 114.378 -175.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.5 p -76.37 176.83 7.82 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.241 1.816 . . . . 0.0 112.983 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.41 -35.41 65.33 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.25 -0.906 . . . . 0.0 112.736 166.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -72.19 -40.5 67.84 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.251 1.02 . . . . 0.0 111.948 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 m -61.22 -44.16 97.71 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.371 1.068 . . . . 0.0 111.961 171.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -61.3 -41.62 97.28 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.815 1.646 . . . . 0.0 112.146 174.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -67.02 -40.53 87.28 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 173.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -56.15 -45.75 79.53 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.264 -0.897 . . . . 0.0 111.184 169.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.41 93.97 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.486 0.715 . . . . 0.0 112.639 173.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -53.32 -47.92 68.89 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.801 1.64 . . . . 0.0 112.061 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.2 mtp85 -61.9 -54.46 41.67 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.405 1.482 . . . . 0.0 112.301 171.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.5 -38.37 74.49 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.738 1.215 . . . . 0.0 113.7 -176.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -63.2 -47.31 83.1 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.931 0.892 . . . . 0.0 112.232 174.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.1 tp -60.06 -41.65 92.82 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.387 -0.821 . . . . 0.0 111.826 174.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.1 mt -67.58 -19.1 24.74 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 125.97 1.708 . . . . 0.0 112.766 175.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.26 -38.83 18.43 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.801 -1.187 . . . . 0.0 112.597 168.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -67.32 -42.06 84.24 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.442 1.097 . . . . 0.0 113.3 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 51.83 29.58 6.1 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 127.026 2.13 . . . . 0.0 114.768 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.4 ttt-85 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 127.213 2.205 . . . . 0.0 111.764 -175.89 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C3'-C2'-C1' 104.372 3.191 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.06 0 C5'-C4'-C3' 110.279 -3.48 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.212 1 O4'-C1'-N19 112.364 4.164 . 0.79 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.253 0 O4'-C1'-N19 112.165 3.965 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.082 0 C5'-C4'-C3' 110.522 -3.319 . 0.795 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.683 -3.017 . 0.877 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.129 0 C5'-C4'-C3' 110.983 -3.012 . 0.846 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.348 0 O4'-C1'-N19 111.551 3.351 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.014 0 O4'-C1'-N19 111.644 3.444 . 0.912 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.367 0 O4'-C1'-N19 111.687 3.487 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 100.113 -2.587 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 C5'-C4'-O4' 112.956 2.683 . 0.717 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.405 1 C4'-C3'-C2' 98.682 -4.018 . 0.34 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.466 1 O4'-C1'-N19 112.34 4.14 . 0.636 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.563 0 O4'-C1'-N19 112.172 3.972 . 0.523 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.99 0 C5'-C4'-C3' 111.595 -2.603 . 0.653 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 C4'-C3'-C2' 99.818 -2.882 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C4'-C3'-C2' 99.553 -3.147 . 0.765 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . 0.486 " H1'" ' C8 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.125 1 O4'-C1'-N19 112.405 4.205 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . 0.486 ' C8 ' " H1'" ' B' ' 19' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.541 2.354 0 O5'-C5'-C4' 115.793 3.995 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.317 0 C5'-C4'-C3' 111.012 -2.992 . 0.49 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 0 C5'-C4'-C3' 110.486 -3.343 . 0.84 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.269 0 O4'-C1'-N19 111.428 3.228 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.301 0 O4'-C1'-N19 111.496 3.296 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.5 t -65.53 137.58 57.5 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.011 1.325 . . . . 0.0 111.855 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -72.76 -14.49 61.55 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.217 1.407 . . . . 0.0 112.657 167.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.48 6.63 85.66 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 125.494 1.521 . . . . 0.0 114.517 -178.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.6 p -111.91 170.8 7.9 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.067 1.747 . . . . 0.0 113.188 -174.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.09 -37.22 53.32 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.969 1.708 . . . . 0.0 114.267 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -66.17 -41.08 90.79 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.3 m -68.17 -43.35 78.37 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.614 0.766 . . . . 0.0 112.209 172.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.6 mtm105 -54.59 -51.29 65.76 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.074 0.95 . . . . 0.0 111.274 173.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -70.19 -37.98 75.22 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -59.05 -39.35 81.77 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.163 -0.961 . . . . 0.0 111.687 173.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.6 94.85 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 171.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.6 mmm-85 -61.42 -45.58 93.72 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 121.011 -1.056 . . . . 0.0 112.472 172.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -66.6 -26.49 67.12 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.501 1.12 . . . . 0.0 113.521 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.31 -47.6 55.68 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.769 0.827 . . . . 0.0 111.921 167.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -62.12 -28.22 69.48 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.843 -1.161 . . . . 0.0 113.361 175.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.45 -25.47 59.72 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.623 1.569 . . . . 0.0 113.638 175.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -49.94 -41.54 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.889 1.275 . . . . 0.0 111.162 176.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.11 -14.14 15.44 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 178.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -110.28 -7.52 14.83 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.796 1.639 . . . . 0.0 113.866 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.7 -7.57 5.63 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 . . . . . 0 C--O 1.253 1.263 0 C-N-CA 125.761 1.624 . . . . 0.0 112.431 176.417 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.501 0 O4'-C1'-N19 110.362 2.162 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 C4'-C3'-C2' 99.388 -3.312 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 0 C5'-C4'-C3' 110.191 -3.539 . 0.848 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.148 1 C5'-C4'-C3' 108.427 -4.716 . 0.828 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.98 0 C5'-C4'-C3' 110.097 -3.602 OUTLIER-EPSILON 0.416 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.029 1 P-O3'-C3' 125.911 5.176 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.868 1 O4'-C1'-N19 112.935 4.735 . 0.594 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.349 0 O4'-C1'-N19 111.384 3.184 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.342 0 O4'-C1'-N19 111.823 3.623 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 O4'-C1'-N19 111.068 2.868 . 0.601 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C4'-C3'-C2' 100.19 -2.51 . 0.514 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.41 0 O4'-C4'-C3' 108.761 2.329 . 0.486 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.329 0 C5'-C4'-C3' 111.383 -2.745 . 0.649 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.193 0 C5'-C4'-C3' 110.863 -3.091 . 0.702 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.203 0 O4'-C1'-N19 111.915 3.715 . 0.199 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.136 0 C5'-C4'-C3' 111.07 -2.953 . 0.829 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 2 C3'-C2'-C1' 105.672 4.636 . 0.631 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.625 1 O4'-C1'-N19 115.845 7.645 . 0.528 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.12 1 C3'-C2'-C1' 105.926 4.918 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.36 0 C4'-C3'-C2' 99.286 -3.414 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.125 0 C4'-C3'-C2' 99.58 -3.12 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.106 0 C5'-C4'-C3' 110.533 -3.312 . 0.763 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.214 0 O4'-C1'-N19 111.591 3.391 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.221 0 O4'-C1'-N19 111.654 3.454 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 p -141.72 134.99 29.35 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.206 1.403 . . . . 0.0 111.509 174.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -132.26 -174.99 3.6 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.816 1.646 . . . . 0.0 113.263 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.18 77.97 0.69 Allowed Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.333 1.444 . . . . 0.0 114.146 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.1 p -137.76 177.81 7.59 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.653 1.981 . . . . 0.0 110.203 166.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.469 ' HB2' ' C5 ' ' B' ' 7' ' ' ' C' . . . -75.21 -47.3 28.91 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 120.865 -1.147 . . . . 0.0 112.145 159.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -47.6 -50.84 23.08 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.864 1.666 . . . . 0.0 113.603 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.6 p -51.64 -48.54 63.3 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.113 1.765 . . . . 0.0 112.9 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -72.61 -38.96 67.65 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.321 1.848 . . . . 0.0 113.66 173.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -63.8 -27.28 69.07 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.497 1.519 . . . . 0.0 112.392 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -56.23 -39.54 72.7 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.887 1.275 . . . . 0.0 112.664 168.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.7 -40.24 73.0 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.113 -0.992 . . . . 0.0 112.514 171.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -57.36 -44.46 84.4 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.883 1.273 . . . . 0.0 112.14 175.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -59.97 -48.29 82.32 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 127.205 2.202 . . . . 0.0 112.757 171.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.77 -32.69 65.87 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -176.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -59.92 -39.86 86.87 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.109 0.964 . . . . 0.0 113.1 176.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.4 tp -70.97 -47.38 59.24 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.173 0.989 . . . . 0.0 111.341 172.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 63.6 mt -61.53 -32.33 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.358 1.063 . . . . 0.0 112.007 -176.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.21 -28.92 67.11 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 172.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -90.59 -28.05 18.7 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.51 1.124 . . . . 0.0 112.768 171.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -67.28 -32.35 73.28 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.674 1.59 . . . . 0.0 113.129 176.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 . . . . . 0 C--O 1.253 1.24 0 C-N-CA 127.772 2.429 . . . . 0.0 113.415 179.588 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.432 0 O4'-C1'-N19 111.572 3.372 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.521 0 N19-C1'-C2' 119.8 4.0 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 O4'-C1'-N19 111.248 3.048 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.924 0 C3'-C2'-C1' 103.967 2.741 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.538 1 P-O3'-C3' 124.837 4.28 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.073 0 C5'-C4'-C3' 111.559 -2.627 . 0.675 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.469 ' C5 ' ' HB2' ' A' ' 13' ' ' ALA . . . . . . . . 0 O4'--C4' 1.424 -2.417 2 C5'-C4'-C3' 108.387 -4.742 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.336 1 C5'-C4'-C3' 109.309 -4.128 . 0.68 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.376 1 C5'-C4'-C3' 108.007 -4.995 . 0.784 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 O4'-C1'-N19 111.954 3.754 . 0.745 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 C5'-C4'-C3' 112.106 -2.263 . 0.556 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.387 0 C4'-C3'-C2' 100.851 -1.849 . 0.774 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.429 -3.271 . 0.297 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.025 0 C5'-C4'-C3' 110.354 -3.431 . 0.892 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 O4'-C1'-N19 112.15 3.95 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.882 0 C5'-C4'-C3' 109.843 -3.771 . 0.172 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.17 0 C4'-C3'-C2' 99.391 -3.309 . 0.842 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 C4'-C3'-C2' 99.979 -2.721 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 1 O4'-C1'-N19 114.29 6.09 . 0.71 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.314 0 C4'-C3'-C2' 99.24 -3.46 . 0.44 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.162 1 C4'-C3'-C2' 98.587 -4.113 . 0.731 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 O5'-C5'-C4' 114.919 3.371 . 0.029 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 O4'-C1'-N19 110.81 2.61 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 O4'-C1'-N19 110.945 2.745 . 0.922 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 N--CA 1.488 1.441 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -59.35 -24.5 63.42 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -173.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -70.47 -14.76 62.67 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.358 1.463 . . . . 0.0 114.748 174.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.95 -65.89 2.54 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 126.092 1.806 . . . . 0.0 115.684 169.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.6 p -56.97 138.6 53.93 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -163.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.7 83.14 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.662 0.785 . . . . 0.0 112.046 174.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -63.65 -37.16 86.3 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.353 1.061 . . . . 0.0 113.166 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.6 t -76.86 -33.13 57.89 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.956 0.798 . . . . 0.0 113.03 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -64.74 -40.06 94.69 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 120.694 -1.254 . . . . 0.0 112.092 169.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -58.38 -46.95 85.35 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.186 1.394 . . . . 0.0 112.088 166.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -57.39 -31.43 65.8 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.19 -58.64 4.96 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 118.888 0.767 . . . . 0.0 111.742 169.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -48.47 -41.63 30.29 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 127.162 2.185 . . . . 0.0 113.25 174.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -51.7 -55.39 19.84 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.421 1.888 . . . . 0.0 112.542 174.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.1 -22.1 66.8 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -72.31 -49.79 31.93 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.077 -1.015 . . . . 0.0 111.317 168.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.7 tt -62.06 -46.44 89.1 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.785 1.634 . . . . 0.0 113.145 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.8 pp -62.28 -15.48 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.35 -20.67 65.61 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.777 0.831 . . . . 0.0 113.1 170.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -130.36 -13.98 3.82 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.936 1.695 . . . . 0.0 113.75 -177.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 42.05 59.35 2.62 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 128.0 2.52 . . . . 0.0 112.298 -169.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 128.391 2.676 . . . . 0.0 113.602 -173.725 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.317 0 C4'-C3'-C2' 99.785 -2.915 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.968 0 C5'-C4'-C3' 110.797 -3.135 . 0.91 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.403 0 O4'-C1'-N19 111.636 3.436 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.095 1 C5'-C4'-C3' 108.274 -4.817 . 0.725 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 0 C5'-C4'-C3' 110.728 -3.181 . 0.793 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.216 0 C4'-C3'-C2' 99.698 -3.002 . 0.861 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C5'-C4'-C3' 109.817 -3.789 . 0.807 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 0 O4'-C1'-N19 111.519 3.319 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.417 0 C5'-C4'-C3' 110.195 -3.537 . 0.684 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.341 1 O4'-C1'-N19 112.457 4.257 . 0.645 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 1 C5'-C4'-C3' 108.493 -4.671 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.207 1 P-O3'-C3' 125.828 5.106 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.123 1 P-O3'-C3' 124.993 4.411 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.291 0 O4'-C1'-N19 110.824 2.624 . 0.304 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 C4'-C3'-C2' 100.443 -2.257 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.29 0 C5'-C4'-C3' 111.034 -2.977 . 0.475 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.206 0 C5'-C4'-C3' 111.093 -2.938 . 0.788 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.056 0 C4'-C3'-C2' 99.065 -3.635 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.074 1 O4'-C1'-N19 113.031 4.831 . 0.669 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.107 0 O4'-C1'-N19 112.196 3.996 . 0.445 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.089 0 O5'-C5'-C4' 107.808 -1.709 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.55 0 C5'-C4'-C3' 109.519 -3.987 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.261 0 O4'-C1'-N19 111.126 2.926 . 0.465 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.379 0 O4'-C1'-N19 111.25 3.05 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 . . . . . 0 N--CA 1.487 1.413 0 N-CA-C 110.603 -0.147 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.3 m -60.45 124.62 20.88 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.897 1.279 . . . . 0.0 112.021 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -65.71 169.69 6.09 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.963 1.305 . . . . 0.0 112.211 174.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.73 -9.9 82.23 Favored Glycine 0 CA--C 1.536 1.352 0 N-CA-C 116.9 1.52 . . . . 0.0 116.9 -167.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.7 p -66.01 159.42 25.9 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.919 1.86 . . . . 0.0 112.181 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.23 85.9 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.679 -0.638 . . . . 0.0 111.736 176.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -62.04 -47.17 85.93 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.514 1.126 . . . . 0.0 111.974 175.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.7 m -63.94 -47.44 80.47 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.314 1.046 . . . . 0.0 112.734 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 -64.85 -40.44 95.16 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.744 0.818 . . . . 0.0 112.736 177.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -63.78 -24.0 67.59 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -61.28 -18.98 61.15 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.495 -1.378 . . . . 0.0 114.206 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.3 -43.07 98.88 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 121.276 -0.89 . . . . 0.0 112.483 166.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -42.93 96.85 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.737 1.615 . . . . 0.0 110.969 173.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -57.65 -52.06 66.97 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.408 1.083 . . . . 0.0 112.469 171.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.16 -42.45 77.04 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.658 0.783 . . . . 0.0 112.811 179.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -64.68 -47.78 77.14 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.686 0.794 . . . . 0.0 112.4 172.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.12 -37.19 76.62 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.209 1.004 . . . . 0.0 112.986 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 58.4 mt -67.11 -21.5 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 126.147 1.779 . . . . 0.0 112.692 175.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.34 -46.13 12.08 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.223 -0.923 . . . . 0.0 112.007 165.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -66.21 -27.9 68.34 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -176.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -67.16 -17.66 64.94 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 115.046 1.498 . . . . 0.0 115.046 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 126.603 1.961 . . . . 0.0 113.251 -169.589 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.306 0 C5'-C4'-C3' 111.469 -2.687 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.099 0 C4'-C3'-C2' 99.825 -2.875 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.166 0 O4'-C1'-N19 112.131 3.931 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.332 0 O4'-C1'-N19 111.759 3.559 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.208 0 C4'-C3'-C2' 99.657 -3.043 . 0.622 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.91 0 C5'-C4'-C3' 111.346 -2.769 . 0.949 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.296 1 O4'-C1'-N19 112.652 4.452 . 0.468 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C3'-C2'-C1' 104.679 3.532 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 O4'-C1'-N19 111.822 3.622 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.94 0 O4'-C1'-N19 111.8 3.6 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 99.688 -3.012 . 0.503 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.074 0 C5'-C4'-O4' 112.467 2.334 . 0.715 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 1 O5'-C5'-C4' 116.107 4.219 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.02 0 C5'-C4'-C3' 109.889 -3.741 . 0.544 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.127 0 O4'-C1'-N19 111.998 3.798 . 0.317 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.021 0 C5'-C4'-C3' 111.137 -2.909 . 0.227 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.118 0 C4'-C3'-C2' 99.743 -2.957 . 0.892 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.268 0 C4'-C3'-C2' 99.81 -2.89 . 0.889 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 1 O4'-C1'-N19 112.344 4.144 . 0.813 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.261 0 C4'-C3'-C2' 99.79 -2.91 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.448 0 C4'-C3'-C2' 99.77 -2.93 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.351 0 C5'-C4'-C3' 111.161 -2.893 . 0.891 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 0 O4'-C1'-N19 111.46 3.26 . 0.907 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.401 0 O4'-C1'-N19 111.668 3.468 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 N--CA 1.488 1.427 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.5 t 65.0 -51.42 0.34 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 127.691 2.396 . . . . 0.0 113.969 -166.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -132.99 173.05 11.83 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 127.954 2.502 . . . . 0.0 110.785 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -125.05 -0.74 8.15 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.122 1.344 . . . . 0.0 115.676 -176.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.4 p -73.67 156.2 38.21 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.133 1.466 . . . . 0.0 112.348 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.531 ' HB1' ' C5 ' ' B' ' 8' ' ' ' C' . . . -66.31 -33.59 76.08 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.213 -0.929 . . . . 0.0 113.018 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -58.31 -31.71 67.78 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.807 1.243 . . . . 0.0 113.376 169.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.0 m -79.54 -51.67 9.0 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.934 1.293 . . . . 0.0 111.957 172.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.9 mtp85 -54.5 -35.65 63.34 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 126.168 1.787 . . . . 0.0 113.188 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -61.17 -28.63 69.27 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -58.36 -42.77 87.67 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.142 0.883 . . . . 0.0 111.497 174.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.13 95.99 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.012 0.525 . . . . 0.0 111.923 174.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.8 mtm-85 -62.42 -41.89 99.04 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.371 1.069 . . . . 0.0 112.932 177.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -66.93 -44.39 80.8 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.813 1.245 . . . . 0.0 112.957 172.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.95 -21.47 63.48 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -176.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -58.89 -25.66 63.57 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.222 -0.924 . . . . 0.0 113.284 172.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.1 tp -67.15 -30.52 70.52 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.204 1.001 . . . . 0.0 112.98 173.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.99 -25.48 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.673 1.189 . . . . 0.0 111.988 -173.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.38 -17.1 58.22 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.017 1.327 . . . . 0.0 114.52 173.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -126.83 -36.12 2.24 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.472 1.509 . . . . 0.0 113.181 177.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.25 19.06 2.04 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 128.212 2.605 . . . . 0.0 115.38 176.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 . . . . . 0 C--O 1.253 1.263 0 C-N-CA 127.523 2.329 . . . . 0.0 111.629 -179.826 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.365 0 O4'-C1'-N19 111.723 3.523 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.862 0 O4'-C1'-N19 111.518 3.318 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 1 C3'-C2'-C1' 105.787 4.764 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.185 1 O4'-C1'-N19 112.711 4.511 . 0.21 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.08 1 O4'-C1'-N19 112.477 4.277 . 0.477 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C4'-C3'-C2' 99.66 -3.04 . 0.351 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.111 0 C5'-C4'-C3' 109.797 -3.802 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ' C' . . . . . 0.531 ' C5 ' ' HB1' ' A' ' 13' ' ' ALA . . . . . . . . 0 O4'--C4' 1.428 -2.111 0 C4'-C3'-C2' 99.973 -2.727 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 1 C5'-C4'-C3' 108.767 -4.489 . 0.379 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.405 0 O4'-C1'-N19 111.054 2.854 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 1 C4'-C3'-C2' 98.484 -4.216 . 0.395 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 O5'-C5'-C4' 114.693 3.209 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.506 1 C4'-C3'-C2' 98.278 -4.422 . 0.552 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.621 1 O4'-C1'-N19 112.836 4.636 . 0.446 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.415 0 O4'-C1'-N19 111.786 3.586 . 0.482 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.99 0 C4'-C3'-C2' 100.108 -2.592 . 0.724 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.956 0 O4'-C1'-N19 111.736 3.536 . 0.91 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.471 1 C5'-C4'-C3' 109.125 -4.25 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.033 1 C5'-C4'-C3' 109.351 -4.099 . 0.857 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.08 0 C4'-C3'-C2' 99.043 -3.657 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.07 0 C4'-C3'-C2' 99.15 -3.55 . 0.665 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.223 0 C5'-C4'-C3' 111.813 -2.458 . 0.692 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.048 0 O4'-C1'-N19 111.504 3.304 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.277 0 O4'-C1'-N19 111.508 3.308 . 0.842 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 111.473 0.175 . . . . 0.0 111.473 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.1 m -74.46 65.29 1.24 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.696 1.598 . . . . 0.0 113.05 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -63.57 -34.58 78.12 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.82 1.648 . . . . 0.0 113.299 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.27 -8.68 60.77 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 126.723 2.106 . . . . 0.0 114.386 -176.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.4 p -70.45 169.73 13.44 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.012 1.725 . . . . 0.0 112.618 171.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.02 -41.2 11.63 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.571 1.548 . . . . 0.0 115.002 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -64.05 -57.4 9.76 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 118.873 0.76 . . . . 0.0 111.988 -178.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.3 p -65.53 -36.06 82.71 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.5 ttp-105 -60.43 -46.79 88.75 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.302 1.441 . . . . 0.0 112.04 172.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -62.59 -43.11 99.63 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.772 0.714 . . . . 0.0 112.136 177.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -54.56 -50.23 68.47 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.914 0.886 . . . . 0.0 111.817 170.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.17 -45.31 87.72 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.603 0.761 . . . . 0.0 112.829 175.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.4 mtp85 -58.88 -51.76 68.64 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.767 1.227 . . . . 0.0 112.441 175.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.1 mtm105 -56.41 -39.82 73.68 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.142 0.977 . . . . 0.0 112.624 175.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.32 -47.74 63.57 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.945 1.298 . . . . 0.0 112.803 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -62.4 -35.68 79.97 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.224 -0.923 . . . . 0.0 112.562 176.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.9 tp -59.93 -25.08 64.87 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.454 1.502 . . . . 0.0 113.668 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.9 mt -53.84 -28.24 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 125.271 1.428 . . . . 0.0 112.192 175.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.58 -20.3 20.2 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 174.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -123.95 -22.97 4.73 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.416 1.486 . . . . 0.0 113.535 172.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.8 ttp85 -83.65 -16.59 44.55 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.246 1.818 . . . . 0.0 114.629 -177.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 . . . . . 0 C--O 1.253 1.287 0 C-N-CA 125.646 1.578 . . . . 0.0 112.571 172.628 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 100.034 -2.666 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.06 0 C4'-C3'-C2' 99.461 -3.239 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.228 1 O4'-C1'-N19 112.478 4.278 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.115 1 O4'-C1'-N19 112.534 4.334 . 0.59 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.108 1 C5'-C4'-C3' 109.1 -4.267 . 0.733 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.292 0 C4'-C3'-C2' 99.163 -3.537 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.188 1 C5'-C4'-C3' 107.875 -5.083 . 0.214 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.43 0 C4'-C3'-C2' 99.328 -3.372 . 0.616 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 O4'-C1'-N19 110.892 2.692 . 0.881 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . 0.4 " H3'" H5'' ' B' ' 11' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.407 0 C5'-C4'-C3' 110.61 -3.26 . 0.778 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . 0.4 H5'' " H3'" ' B' ' 10' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.056 0 O4'-C1'-N19 111.691 3.491 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 P-O3'-C3' 123.842 3.451 . 0.414 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.336 0 C5'-C4'-C3' 111.298 -2.801 . 0.106 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.024 0 C5'-C4'-C3' 110.522 -3.319 . 0.825 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.086 0 O4'-C1'-N19 112.076 3.876 . 0.274 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.257 0 C5'-C4'-C3' 110.847 -3.102 . 0.349 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.05 0 C5'-C4'-C3' 110.143 -3.571 . 0.946 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C4'-C3'-C2' 99.452 -3.248 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 1 O4'-C1'-N19 114.097 5.897 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.122 0 C5'-C4'-C3' 109.748 -3.834 . 0.236 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.949 0 C4'-C3'-C2' 100.148 -2.552 . 0.813 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.456 1 C5'-C4'-C3' 109.277 -4.149 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.199 0 O4'-C1'-N19 111.327 3.127 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 O4'-C1'-N19 111.368 3.168 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 119.362 -0.352 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m 64.62 -8.72 0.2 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 127.793 2.437 . . . . 0.0 117.305 173.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt 43.67 -107.28 0.1 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 128.992 2.917 . . . . 0.0 113.705 175.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.96 8.62 64.7 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.094 1.33 . . . . 0.0 115.966 177.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.8 p -64.84 167.73 7.2 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.83 1.252 . . . . 0.0 112.554 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.72 -40.55 75.9 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.421 -0.8 . . . . 0.0 111.672 171.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -64.32 -41.66 96.7 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.954 1.302 . . . . 0.0 112.504 175.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.6 m -62.68 -47.17 84.83 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.187 0.995 . . . . 0.0 111.901 175.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.5 mtm180 -68.34 -32.73 73.05 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.314 1.046 . . . . 0.0 112.968 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -62.47 -25.33 67.93 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 174.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -58.15 -29.19 65.38 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 120.846 -1.159 . . . . 0.0 113.407 174.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.8 -48.93 22.73 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.575 0.75 . . . . 0.0 111.854 167.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -61.36 -22.98 65.44 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 126.104 1.762 . . . . 0.0 114.523 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.43 HH12 ' NH1' ' A' ' 28' ' ' ARG . 19.9 mmm180 -46.8 -53.13 12.63 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.811 1.644 . . . . 0.0 111.861 166.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.54 -40.72 92.57 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.537 0.735 . . . . 0.0 112.88 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -65.55 -36.56 84.17 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.129 0.971 . . . . 0.0 112.372 176.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.8 tp -68.49 -49.95 55.94 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.294 1.038 . . . . 0.0 111.889 171.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 50.8 mt -53.8 -32.46 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.418 1.487 . . . . 0.0 112.106 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.18 -15.54 15.46 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -128.24 -29.08 2.52 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.065 1.346 . . . . 0.0 114.572 171.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.43 ' NH1' HH12 ' A' ' 21' ' ' ARG . 15.0 ttp180 -70.41 -33.24 71.13 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.896 1.679 . . . . 0.0 112.736 174.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 . . . . . 0 C--O 1.252 1.221 0 C-N-CA 127.065 2.146 . . . . 0.0 111.948 -165.203 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 1 O4'-C1'-N19 112.947 4.747 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.217 1 P-O3'-C3' 125.352 4.71 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.341 1 O4'-C1'-N19 113.46 5.26 . 0.79 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.005 1 O4'-C1'-N19 113.735 5.535 OUTLIER-EPSILON 0.18 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.031 1 P-O3'-C3' 125.797 5.081 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.208 0 C4'-C3'-C2' 99.05 -3.65 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.005 2 O4'-C1'-N19 112.463 4.263 . 0.54 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 C3'-C2'-C1' 104.291 3.101 . 0.187 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.168 0 O4'-C1'-N19 111.827 3.627 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.361 0 C5'-C4'-C3' 109.831 -3.779 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 O4'-C1'-N19 110.756 2.556 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 O4'-C4'-C3' 108.537 2.17 . 0.502 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.165 0 C4'-C3'-C2' 100.334 -2.366 . 0.508 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.097 0 O4'-C1'-N19 111.969 3.769 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.116 1 O4'-C1'-N19 112.39 4.19 . 0.622 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.803 0 C4'-C3'-C2' 99.844 -2.856 . 0.644 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.122 0 C4'-C3'-C2' 99.363 -3.337 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C5'-C4'-C3' 111.461 -2.692 . 0.831 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.154 1 C5'-C4'-C3' 109.474 -4.017 . 0.779 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.487 1 C3'-C2'-C1' 106.102 5.114 . 0.602 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.403 0 C4'-C3'-C2' 100.004 -2.696 . 0.67 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 3 O4'-C1'-N19 113.624 5.424 OUTLIER-DELTA 0.018 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.148 0 C4'-C3'-C2' 99.828 -2.872 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.278 0 O4'-C1'-N19 111.529 3.329 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_