data_5j0m_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 5j0m _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 1' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 118.55 2.796 . . . . 0.0 118.55 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 p -91.78 132.09 37.15 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 167.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 88.7 mmt-85 -144.32 -178.72 6.11 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 129.568 3.147 . . . . 0.0 109.652 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.7 m -151.26 113.06 4.46 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 129.351 3.061 . . . . 0.0 110.167 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -113.28 123.48 50.24 Favored 'General case' 0 N--CA 1.445 -0.71 1 C-N-CA 132.388 4.275 . . . . 0.0 108.007 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt 48.72 56.21 7.98 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 129.305 3.042 . . . . 0.0 116.761 -170.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.89 27.24 20.48 Favored Glycine 0 C--N 1.342 0.873 0 CA-C-O 115.034 -3.092 . . . . 0.0 114.709 -175.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -132.33 149.49 52.35 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 120.606 2.203 . . . . 0.0 115.178 165.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -72.95 113.26 9.79 Favored 'General case' 0 N--CA 1.443 -0.818 1 C-N-CA 132.381 4.272 . . . . 0.0 116.26 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.1 tt -129.99 145.41 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 -168.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -114.61 134.39 55.09 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 103.799 -2.667 . . . . 0.0 103.799 -173.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.6 mm . . . . . 0 N--CA 1.453 -0.318 0 CA-C-N 111.169 -2.741 . . . . 0.0 105.832 -169.383 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 . . . . . 0 N--CA 1.443 -0.777 0 CA-C-O 123.126 1.441 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 p -127.76 136.54 60.12 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 O-C-N 117.243 -3.411 . . . . 0.0 106.189 172.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 -132.72 -174.17 3.39 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 120.126 -1.609 . . . . 0.0 107.869 174.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.1 m -103.03 148.99 25.01 Favored 'General case' 0 CA--C 1.518 -0.253 0 O-C-N 117.886 -3.009 . . . . 0.0 110.071 161.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -130.64 87.72 2.53 Favored 'General case' 0 N--CA 1.45 -0.433 1 O-C-N 114.338 -5.226 . . . . 0.0 115.087 159.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.449 58.3 mttm 65.26 64.72 0.6 Allowed 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 126.189 2.181 . . . . 0.0 109.621 -173.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.23 -15.68 43.27 Favored Glycine 0 CA--C 1.525 0.692 0 O-C-N 118.512 -2.618 . . . . 0.0 116.559 174.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.357 10.0 ptm180 -118.56 145.93 44.98 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 118.333 1.066 . . . . 0.0 112.555 -169.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -73.52 133.67 43.66 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 116.964 -1.493 . . . . 0.0 107.991 -175.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.1 tt -138.68 127.09 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 119.95 1.25 . . . . 0.0 110.188 172.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -67.7 133.24 48.96 Favored 'General case' 0 N--CA 1.445 -0.693 0 O-C-N 127.207 2.817 . . . . 0.0 110.286 166.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.7 mm . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 100.954 -3.721 . . . . 0.0 100.954 -179.186 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 . . . . . 0 N--CA 1.442 -0.854 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.6 m -147.36 156.04 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 O-C-N 125.273 1.608 . . . . 0.0 112.828 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -149.49 -174.13 4.59 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.704 2.001 . . . . 0.0 113.949 -176.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 t -118.92 152.14 36.86 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.879 1.672 . . . . 0.0 112.461 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.7 ttt-85 -152.49 98.53 2.39 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 127.45 2.3 . . . . 0.0 110.853 165.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.318 22.5 mttm 50.55 68.09 0.82 Allowed 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 128.895 2.878 . . . . 0.0 113.155 171.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.94 -6.82 56.98 Favored Glycine 0 CA--C 1.528 0.851 1 CA-C-O 127.969 4.094 . . . . 0.0 116.268 167.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -138.91 145.95 40.5 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 117.928 -3.101 . . . . 0.0 107.657 -166.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -89.49 106.95 18.79 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 119.142 3.015 . . . . 0.0 119.142 170.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.2 tt -76.78 161.85 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 115.902 -1.999 . . . . 0.0 112.876 174.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 -124.3 143.0 50.81 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 126.622 2.451 . . . . 0.0 105.757 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.252 2.7 pt . . . . . 0 N--CA 1.452 -0.342 0 CA-C-N 112.945 -1.934 . . . . 0.0 109.484 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 . . . . . 0 N--CA 1.451 -0.409 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 m -128.26 148.92 32.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 174.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -135.4 176.89 8.26 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 126.841 2.588 . . . . 0.0 106.794 170.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.7 t -124.69 138.91 54.27 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 127.217 3.389 . . . . 0.0 112.805 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -130.99 98.28 4.55 Favored 'General case' 0 N--CA 1.447 -0.597 1 O-C-N 113.337 -5.852 . . . . 0.0 110.319 177.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 49.1 mttm 39.29 61.66 1.28 Allowed 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.181 1.792 . . . . 0.0 110.492 176.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.81 9.12 58.82 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-O 118.219 -1.323 . . . . 0.0 112.286 164.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.0 mtt85 -136.06 141.47 44.28 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 122.84 3.32 . . . . 0.0 111.632 169.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -88.94 103.99 16.54 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 127.131 2.173 . . . . 0.0 110.055 -175.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.6 tt -88.88 133.76 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 O-C-N 125.916 2.01 . . . . 0.0 111.875 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -86.76 144.87 26.87 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 129.43 3.092 . . . . 0.0 110.033 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 N--CA 1.441 -0.888 0 O-C-N 126.276 2.235 . . . . 0.0 108.102 170.702 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.291 29.9 mtp180 . . . . . 0 N--CA 1.445 -0.696 0 CA-C-O 122.533 1.158 . . . . 0.0 113.423 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.2 p -160.39 118.07 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 112.391 -2.186 . . . . 0.0 115.453 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -103.41 142.37 34.35 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 127.058 2.143 . . . . 0.0 112.161 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.5 m -110.92 141.06 44.85 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.979 2.111 . . . . 0.0 111.808 172.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -133.0 119.88 20.65 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 117.712 -3.118 . . . . 0.0 108.899 161.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.9 mttt 37.7 65.77 0.52 Allowed 'General case' 0 N--CA 1.453 -0.302 1 O-C-N 116.14 -4.1 . . . . 0.0 114.727 168.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.5 -2.52 10.65 Favored Glycine 0 C--N 1.343 0.971 0 N-CA-C 120.275 2.87 . . . . 0.0 120.275 -174.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -98.93 153.32 18.91 Favored 'General case' 0 N--CA 1.456 -0.152 1 CA-C-N 125.708 4.754 . . . . 0.0 114.273 157.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -135.68 136.71 41.13 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 123.38 1.562 . . . . 0.0 111.631 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.7 tt -128.76 117.02 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 1 O-C-N 115.952 -4.218 . . . . 0.0 114.45 -177.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.6 mtp-105 -77.15 143.81 38.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 124.405 2.05 . . . . 0.0 114.307 172.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.9 pt . . . . . 0 N--CA 1.444 -0.729 0 C-N-CA 128.737 2.815 . . . . 0.0 112.873 -176.034 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 . . . . . 0 CA--C 1.519 -0.233 0 CA-C-O 124.83 2.252 . . . . 0.0 112.969 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.2 p -147.37 146.28 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 1 O-C-N 114.397 -5.189 . . . . 0.0 109.76 176.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -125.71 148.26 49.1 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 127.078 2.151 . . . . 0.0 109.095 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.2 m -106.12 146.5 30.12 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 105.691 -1.966 . . . . 0.0 105.691 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -139.96 108.04 5.74 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 104.388 -2.449 . . . . 0.0 104.388 157.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.365 64.6 mttt 48.62 63.48 2.08 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 126.091 2.119 . . . . 0.0 112.525 156.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.19 -20.07 7.38 Favored Glycine 0 N--CA 1.441 -0.974 1 C-N-CA 131.107 4.194 . . . . 0.0 118.397 -176.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -87.86 154.87 20.19 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 118.254 -2.909 . . . . 0.0 111.929 170.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -138.16 160.73 38.65 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 127.548 3.03 . . . . 0.0 111.738 166.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.7 tt -154.93 129.47 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-O 118.386 -0.816 . . . . 0.0 109.748 -173.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -78.49 143.58 36.51 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 128.027 2.531 . . . . 0.0 112.744 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.271 4.9 pt . . . . . 0 C--N 1.328 -0.367 0 C-N-CA 128.372 2.669 . . . . 0.0 113.703 164.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 . . . . . 0 N--CA 1.447 -0.618 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.5 p -129.64 145.03 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-O 116.485 -1.722 . . . . 0.0 109.561 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -112.68 141.19 46.75 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 126.048 1.739 . . . . 0.0 110.768 170.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.7 m -110.18 148.95 30.83 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 125.562 1.789 . . . . 0.0 115.091 171.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -152.86 85.09 1.23 Allowed 'General case' 0 CA--C 1.53 0.192 0 O-C-N 119.08 -2.262 . . . . 0.0 114.028 -178.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.0 mttt 41.29 60.77 1.98 Allowed 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 127.167 3.365 . . . . 0.0 115.581 173.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.04 -27.26 11.08 Favored Glycine 0 CA--C 1.522 0.492 0 O-C-N 118.06 -2.9 . . . . 0.0 113.229 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -103.93 157.18 17.27 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 126.212 2.911 . . . . 0.0 106.622 -173.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -139.67 150.54 45.03 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 130.703 3.601 . . . . 0.0 111.399 170.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.7 tt -148.76 125.54 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 125.755 1.622 . . . . 0.0 108.804 -173.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.1 mtm-85 -71.37 137.91 48.77 Favored 'General case' 0 CA--C 1.514 -0.44 0 O-C-N 120.211 -1.556 . . . . 0.0 111.399 170.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 pt . . . . . 0 N--CA 1.45 -0.46 0 O-C-N 118.571 -2.581 . . . . 0.0 109.411 170.474 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 . . . . . 0 N--CA 1.446 -0.649 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.8 t -142.88 149.75 18.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 O-C-N 119.229 -2.169 . . . . 0.0 109.301 176.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -138.1 171.02 15.03 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 126.999 2.12 . . . . 0.0 111.356 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.0 t -108.83 151.01 26.82 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 118.599 -2.563 . . . . 0.0 111.95 166.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -149.09 105.96 3.57 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 126.937 2.095 . . . . 0.0 114.06 177.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.252 25.4 mmtm 53.57 43.16 31.58 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 117.049 2.24 . . . . 0.0 117.049 -174.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.87 3.22 88.13 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 120.669 3.027 . . . . 0.0 120.669 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.9 mtt85 -106.87 141.5 37.99 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 128.025 2.53 . . . . 0.0 114.698 169.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.8 mtm-85 -75.45 119.3 19.33 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 123.155 1.455 . . . . 0.0 112.761 164.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.324 20.5 tt -109.86 135.35 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -81.13 162.3 23.73 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 167.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.0 pt . . . . . 0 N--CA 1.447 -0.624 0 C-N-CA 128.248 2.619 . . . . 0.0 107.362 173.732 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 . . . . . 0 N--CA 1.443 -0.813 0 CA-C-O 125.799 2.714 . . . . 0.0 105.957 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.7 t -122.87 157.54 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 O-C-N 117.825 -3.047 . . . . 0.0 109.256 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -157.85 166.52 32.46 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 130.604 3.562 . . . . 0.0 111.368 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 t -113.3 137.12 51.97 Favored 'General case' 0 CA--C 1.515 -0.369 0 O-C-N 119.267 -2.146 . . . . 0.0 110.496 170.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.2 ttt-85 -136.31 118.8 15.83 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 130.426 3.49 . . . . 0.0 107.974 169.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt 50.85 41.17 26.35 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 128.783 2.833 . . . . 0.0 114.536 155.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.9 11.97 66.95 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 126.558 2.028 . . . . 0.0 117.601 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.5 mtt85 -136.65 144.41 43.99 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 127.255 2.385 . . . . 0.0 113.347 168.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.1 mtm-85 -88.05 100.45 12.94 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 128.502 2.721 . . . . 0.0 109.181 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.2 tt -85.38 152.22 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 O-C-N 126.554 2.409 . . . . 0.0 106.901 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -112.31 163.57 14.24 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 123.125 1.441 . . . . 0.0 112.838 174.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 O-C-N 119.305 -2.122 . . . . 0.0 105.765 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.4 t -126.65 139.1 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 O-C-N 119.228 -2.17 . . . . 0.0 111.965 -177.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -119.82 175.13 6.03 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.329 1.852 . . . . 0.0 113.916 165.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 t -115.97 151.8 34.73 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 122.059 0.933 . . . . 0.0 111.709 159.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.1 ttt-85 -154.2 112.32 3.54 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 127.481 2.313 . . . . 0.0 113.6 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm 44.15 64.03 1.44 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 126.973 2.109 . . . . 0.0 113.545 174.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.32 3.2 61.04 Favored Glycine 0 C--O 1.219 -0.818 0 N-CA-C 122.685 3.834 . . . . 0.0 122.685 -175.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -120.24 149.09 42.83 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 118.386 -2.832 . . . . 0.0 112.874 176.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.9 mtm-85 -96.09 124.86 40.26 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 124.375 2.036 . . . . 0.0 112.683 165.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.0 tt -129.97 135.7 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-O 124.86 2.267 . . . . 0.0 109.002 -164.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -93.32 141.83 28.0 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 113.213 -1.812 . . . . 0.0 114.076 -172.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.398 0 C-N-CA 126.954 2.101 . . . . 0.0 107.242 156.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 118.55 2.796 . . . . 0.0 118.55 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 p -91.78 132.09 37.15 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 167.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 88.7 mmt-85 -144.32 -178.72 6.11 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 129.568 3.147 . . . . 0.0 109.652 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.7 m -151.26 113.06 4.46 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 129.351 3.061 . . . . 0.0 110.167 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -113.28 123.48 50.24 Favored 'General case' 0 N--CA 1.445 -0.71 1 C-N-CA 132.388 4.275 . . . . 0.0 108.007 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt 48.72 56.21 7.98 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 129.305 3.042 . . . . 0.0 116.761 -170.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.89 27.24 20.48 Favored Glycine 0 C--N 1.342 0.873 0 CA-C-O 115.034 -3.092 . . . . 0.0 114.709 -175.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -132.33 149.49 52.35 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 120.606 2.203 . . . . 0.0 115.178 165.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -72.95 113.26 9.79 Favored 'General case' 0 N--CA 1.443 -0.818 1 C-N-CA 132.381 4.272 . . . . 0.0 116.26 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.1 tt -129.99 145.41 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 -168.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -114.61 134.39 55.09 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 103.799 -2.667 . . . . 0.0 103.799 -173.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.6 mm -125.49 80.46 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 111.169 -2.741 . . . . 0.0 105.832 -169.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 N--CA 1.449 -1.095 0 C-N-CA 123.714 2.942 . . . . 0.0 114.719 -179.666 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 2 C5'-C4'-O4' 122.666 9.619 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.296 4 C4'-C3'-C2' 94.759 -7.941 . 0.56 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.675 1 C5'-C4'-O4' 116.657 5.327 . 0.616 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.518 2 O4'-C1'-N19 113.423 5.223 . 0.2 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.432 0 C5'-C4'-C3' 120.997 3.665 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.632 1 O3'-P-O5' 95.026 -4.723 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.969 1 O4'-C1'-N19 116.609 8.409 . 0.108 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.368 0 C5'-C4'-C3' 110.814 -3.124 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.692 2 O4'-C1'-N19 117.149 8.949 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 5 O4'-C1'-N19 116.247 8.047 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.372 1 C5'-C4'-O4' 116.703 5.36 . 0.304 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.611 4 O5'-C5'-C4' 119.855 6.896 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.527 2 C3'-C2'-C1' 107.434 6.594 . 0.535 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.899 1 C4'-C3'-C2' 98.184 -4.516 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.387 3 O4'-C1'-N19 113.483 5.283 . 0.0 OUTLIER '7D dist 0b' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.228 4 P-O3'-C3' 129.062 7.802 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.587 3 C1'-O4'-C4' 116.85 8.055 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.555 2 C1'-O4'-C4' 102.731 -7.632 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.452 1 O5'-C5'-C4' 117.293 5.067 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.514 4 P-O3'-C3' 130.246 8.789 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.428 1 O4'-C4'-C3' 97.675 -5.589 . 0.891 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.59 1 C3'-C2'-C1' 95.046 -7.171 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.728 6 C4'-C3'-C2' 94.813 -7.887 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.686 0 C5'-C4'-O4' 114.455 3.754 . 0.204 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.572 2 C4'-C3'-C2' 94.551 -8.149 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.99 3 C4'-C3'-C2' 94.896 -7.804 . 0.096 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.479 2 O4'-C1'-N19 114.561 6.361 . 0.171 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.44 2 C1'-O4'-C4' 116.106 7.228 . 0.759 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.778 1 C1'-O4'-C4' 113.997 4.886 . 0.727 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 . . . . . 0 N--CA 1.443 -0.777 0 CA-C-O 123.126 1.441 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 p -127.76 136.54 60.12 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 O-C-N 117.243 -3.411 . . . . 0.0 106.189 172.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 -132.72 -174.17 3.39 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 120.126 -1.609 . . . . 0.0 107.869 174.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.1 m -103.03 148.99 25.01 Favored 'General case' 0 CA--C 1.518 -0.253 0 O-C-N 117.886 -3.009 . . . . 0.0 110.071 161.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -130.64 87.72 2.53 Favored 'General case' 0 N--CA 1.45 -0.433 1 O-C-N 114.338 -5.226 . . . . 0.0 115.087 159.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.42 ' HA ' " H4'" ' B' ' 24' ' ' ' C' 0.449 58.3 mttm 65.26 64.72 0.6 Allowed 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 126.189 2.181 . . . . 0.0 109.621 -173.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.23 -15.68 43.27 Favored Glycine 0 CA--C 1.525 0.692 0 O-C-N 118.512 -2.618 . . . . 0.0 116.559 174.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.357 10.0 ptm180 -118.56 145.93 44.98 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 118.333 1.066 . . . . 0.0 112.555 -169.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -73.52 133.67 43.66 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 116.964 -1.493 . . . . 0.0 107.991 -175.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.1 tt -138.68 127.09 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 119.95 1.25 . . . . 0.0 110.188 172.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -67.7 133.24 48.96 Favored 'General case' 0 N--CA 1.445 -0.693 0 O-C-N 127.207 2.817 . . . . 0.0 110.286 166.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.7 mm -120.07 73.02 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 100.954 -3.721 . . . . 0.0 100.954 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo . . . . . 0 N--CA 1.448 -1.178 1 C-N-CA 129.42 6.747 . . . . 0.0 115.47 172.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.777 2 O4'-C1'-N19 116.266 8.066 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.414 2 C4'-C3'-C2' 98.205 -4.495 . 0.169 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 3 O4'-C1'-N19 117.295 9.095 . 0.695 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 2 O4'-C1'-N19 112.878 4.678 . 0.737 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 O4'-C1'-N19 110.928 2.728 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.425 4 O5'-C5'-C4' 118.818 6.156 . 0.043 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.816 3 C1'-O4'-C4' 104.472 -5.697 . 0.027 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.42 " H4'" ' HA ' ' A' ' 6' ' ' LYS . . . . . . . . 0 O4'--C4' 1.418 -2.931 0 P-O5'-C5' 115.536 -3.353 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.23 3 C3'-C2'-C1' 112.11 11.789 . 0.01 6j . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.893 1 C4'-C3'-C2' 96.944 -5.756 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.208 0 N19-C1'-C2' 107.253 -3.842 . 0.52 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.758 1 O4'-C1'-N19 117.072 8.872 . 0.616 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 3 OP1-P-OP2 110.833 -5.845 . 0.451 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.519 " H4'" " H5'" ' B' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.41 -3.577 4 C4'-C3'-C2' 96.229 -6.471 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . 0.519 " H5'" " H4'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.408 -3.77 1 P-O3'-C3' 125.245 4.621 . 0.099 0b . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.55 3 C4'-C3'-C2' 96.504 -6.196 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.335 2 C3'-C2'-C1' 95.731 -6.41 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.444 2 O4'-C1'-N19 115.723 7.523 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.17 0 C1'-O4'-C4' 106.511 -3.432 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.344 4 C3'-C2'-C1' 108.497 7.774 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.497 3 O4'-C1'-N19 114.456 6.256 . 0.078 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.975 3 O4'-C1'-N19 116.67 8.47 . 0.56 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.605 1 O3'-P-O5' 112.0 4.211 . 0.48 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.01 1 C3'-C2'-C1' 107.206 6.34 . 0.668 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . 0.403 " H2'" ' C6 ' ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.174 2 P-O3'-C3' 125.383 4.735 . 0.512 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . 0.403 ' C6 ' " H2'" ' B' ' 41' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.098 1 O4'-C1'-N19 114.334 6.134 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.285 2 C5'-C4'-O4' 121.566 8.833 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.886 1 N19-C1'-C2' 105.299 -5.063 . 0.364 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.099 4 C4'-C3'-C2' 93.713 -8.987 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 . . . . . 0 N--CA 1.442 -0.854 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.6 m -147.36 156.04 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 O-C-N 125.273 1.608 . . . . 0.0 112.828 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -149.49 -174.13 4.59 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.704 2.001 . . . . 0.0 113.949 -176.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 t -118.92 152.14 36.86 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.879 1.672 . . . . 0.0 112.461 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.7 ttt-85 -152.49 98.53 2.39 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 127.45 2.3 . . . . 0.0 110.853 165.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.318 22.5 mttm 50.55 68.09 0.82 Allowed 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 128.895 2.878 . . . . 0.0 113.155 171.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.94 -6.82 56.98 Favored Glycine 0 CA--C 1.528 0.851 1 CA-C-O 127.969 4.094 . . . . 0.0 116.268 167.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -138.91 145.95 40.5 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 117.928 -3.101 . . . . 0.0 107.657 -166.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.421 ' HB2' ' H22' ' B' ' 33' ' ' ' G' . 57.7 ttp180 -89.49 106.95 18.79 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 119.142 3.015 . . . . 0.0 119.142 170.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.2 tt -76.78 161.85 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 115.902 -1.999 . . . . 0.0 112.876 174.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 -124.3 143.0 50.81 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 126.622 2.451 . . . . 0.0 105.757 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.252 2.7 pt -140.61 75.78 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 112.945 -1.934 . . . . 0.0 109.484 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo . . . . . 0 N--CA 1.446 -1.296 0 CA-C-O 116.7 -1.458 . . . . 0.0 114.574 175.934 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.599 1 C5'-C4'-O4' 119.679 7.485 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.718 2 C5'-C4'-O4' 117.809 6.149 . 0.128 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.933 2 O4'-C1'-N19 113.925 5.725 . 0.105 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.58 3 O5'-C5'-C4' 122.274 8.624 . 0.057 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.514 1 C5'-C4'-O4' 115.026 4.161 . 0.443 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.788 2 N19-C1'-C2' 106.105 -4.559 . 0.857 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.991 5 O4'-C1'-N19 119.145 10.945 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.579 4 O4'-C1'-N19 113.944 5.744 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.735 4 O4'-C1'-N19 119.791 11.591 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.192 1 O4'-C1'-N19 114.947 6.747 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 2 C4'-C3'-C2' 97.955 -4.745 . 0.439 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.962 2 O4'-C1'-N19 113.839 5.639 . 0.713 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.665 2 N19-C1'-C2' 103.434 -6.229 . 0.362 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.534 4 O4'-C1'-N19 115.625 7.425 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.842 3 O4'-C1'-N19 114.781 6.581 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . 0.512 " H4'" " H5'" ' B' ' 33' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.411 -3.52 5 C5'-C4'-C3' 101.672 -9.218 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . 0.512 " H5'" " H4'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.407 -3.834 6 C5'-C4'-C3' 108.461 -4.693 . 0.01 0b . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.051 1 O4'-C1'-N19 112.367 4.167 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.24 4 O4'-C1'-N19 118.577 10.377 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 O5'-C5'-C4' 104.632 -3.977 . 0.197 3g . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.506 4 O4'-C1'-N19 114.514 6.314 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.571 4 C5'-C4'-C3' 106.508 -5.994 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.873 3 O4'-C1'-N19 114.635 6.435 . 0.634 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.216 2 O4'-C1'-N19 113.85 5.65 . 0.824 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.995 1 O4'-C1'-N19 115.199 6.999 . 0.736 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.524 2 C4'-C3'-C2' 97.126 -5.574 . 0.45 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.415 1 O4'-C1'-N19 112.454 4.254 . 0.61 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 4 O4'-C1'-N19 115.408 7.208 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 4 O4'-C1'-N19 113.587 5.387 . 0.536 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 . . . . . 0 N--CA 1.451 -0.409 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 m -128.26 148.92 32.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 174.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -135.4 176.89 8.26 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 126.841 2.588 . . . . 0.0 106.794 170.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.7 t -124.69 138.91 54.27 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 127.217 3.389 . . . . 0.0 112.805 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -130.99 98.28 4.55 Favored 'General case' 0 N--CA 1.447 -0.597 1 O-C-N 113.337 -5.852 . . . . 0.0 110.319 177.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 49.1 mttm 39.29 61.66 1.28 Allowed 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.181 1.792 . . . . 0.0 110.492 176.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.81 9.12 58.82 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-O 118.219 -1.323 . . . . 0.0 112.286 164.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.0 mtt85 -136.06 141.47 44.28 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 122.84 3.32 . . . . 0.0 111.632 169.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -88.94 103.99 16.54 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 127.131 2.173 . . . . 0.0 110.055 -175.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.6 tt -88.88 133.76 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 O-C-N 125.916 2.01 . . . . 0.0 111.875 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -86.76 144.87 26.87 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 129.43 3.092 . . . . 0.0 110.033 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.9 pt -141.72 89.81 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 O-C-N 126.276 2.235 . . . . 0.0 108.102 170.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo . . . . . 0 N--CA 1.442 -1.504 0 O-C-N 126.209 2.689 . . . . 0.0 116.722 174.444 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.275 3 C3'-C2'-C1' 95.619 -6.535 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.613 0 C1'-O4'-C4' 106.39 -3.567 . 0.181 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.166 6 O4'-C1'-N19 113.808 5.608 . 0.495 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C1'-O4'-C4' 113.101 3.89 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.689 5 P-O3'-C3' 127.76 6.717 . 0.564 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.671 0 C1'-O4'-C4' 113.067 3.852 . 0.361 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.434 3 O4'-C1'-N19 116.911 8.711 . 0.0 OUTLIER '7D dist 3b' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 6 O4'-C1'-N19 117.513 9.313 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.446 4 C1'-O4'-C4' 101.238 -9.292 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.024 1 C4'-C3'-C2' 98.335 -4.365 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.901 4 C3'-C2'-C1' 107.232 6.369 . 0.889 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.702 5 C1'-O4'-C4' 104.031 -6.188 . 0.579 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.648 5 C4'-C3'-C2' 91.589 -11.111 . 0.579 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 3 C1'-O4'-C4' 103.699 -6.557 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.695 3 O4'-C1'-N19 116.317 8.117 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . 0.492 ' C8 ' ' C6 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.405 -3.966 1 O3'-P-O5' 95.244 -4.608 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.994 2 O4'-C1'-N19 117.132 8.932 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.492 ' C6 ' ' C8 ' ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.406 -3.916 2 C1'-O4'-C4' 105.048 -5.058 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.609 3 C5'-C4'-O4' 117.329 5.807 . 0.172 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.449 3 C5'-C4'-O4' 117.765 6.118 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.794 5 C4'-C3'-C2' 92.733 -9.967 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.557 5 C4'-C3'-C2' 95.434 -7.266 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.486 1 O5'-C5'-C4' 116.234 4.31 . 0.633 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.581 2 C1'-O4'-C4' 114.718 5.687 . 0.692 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 2 C4'-C3'-C2' 97.077 -5.623 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.948 2 C5'-C4'-O4' 115.415 4.439 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.576 4 C3'-C2'-C1' 96.114 -5.984 . 0.405 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.81 6 C5'-C4'-O4' 120.334 7.953 . 0.144 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.52 2 O4'-C1'-N19 117.024 8.824 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.291 29.9 mtp180 . . . . . 0 N--CA 1.445 -0.696 0 CA-C-O 122.533 1.158 . . . . 0.0 113.423 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.2 p -160.39 118.07 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 112.391 -2.186 . . . . 0.0 115.453 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -103.41 142.37 34.35 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 127.058 2.143 . . . . 0.0 112.161 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.5 m -110.92 141.06 44.85 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.979 2.111 . . . . 0.0 111.808 172.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -133.0 119.88 20.65 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 117.712 -3.118 . . . . 0.0 108.899 161.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.9 mttt 37.7 65.77 0.52 Allowed 'General case' 0 N--CA 1.453 -0.302 1 O-C-N 116.14 -4.1 . . . . 0.0 114.727 168.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.5 -2.52 10.65 Favored Glycine 0 C--N 1.343 0.971 0 N-CA-C 120.275 2.87 . . . . 0.0 120.275 -174.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -98.93 153.32 18.91 Favored 'General case' 0 N--CA 1.456 -0.152 1 CA-C-N 125.708 4.754 . . . . 0.0 114.273 157.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -135.68 136.71 41.13 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 123.38 1.562 . . . . 0.0 111.631 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.7 tt -128.76 117.02 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 1 O-C-N 115.952 -4.218 . . . . 0.0 114.45 -177.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.6 mtp-105 -77.15 143.81 38.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 124.405 2.05 . . . . 0.0 114.307 172.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.9 pt -136.9 68.19 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 C-N-CA 128.737 2.815 . . . . 0.0 112.873 -176.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 N--CA 1.449 -1.129 0 C-N-CA 122.592 2.194 . . . . 0.0 111.581 -177.81 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.338 1 C5'-C4'-O4' 116.608 5.291 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.358 2 C5'-C4'-C3' 124.158 5.772 . 0.906 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.948 1 C5'-C4'-O4' 117.615 6.011 . 0.216 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . 0.424 ' C2 ' ' C2 ' ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.408 -3.791 4 OP1-P-OP2 112.07 -5.02 . 0.255 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 2 O5'-C5'-C4' 118.611 6.008 . 0.418 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.893 1 C5'-C4'-O4' 119.469 7.335 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.24 1 N19-C1'-C2' 100.836 -7.852 . 0.029 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 2 O5'-C5'-C4' 120.935 7.668 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.94 3 C3'-C2'-C1' 109.541 8.935 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.471 4 O4'-C1'-N19 113.888 5.688 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.365 2 C4'-C3'-C2' 97.675 -5.025 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.461 2 C5'-C4'-O4' 118.993 6.995 . 0.381 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.859 3 C1'-O4'-C4' 115.935 7.038 . 0.666 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.449 HO2' ' P ' ' B' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.407 -3.839 6 N19-C1'-C2' 105.215 -5.116 . 0.225 5r . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . 0.449 ' P ' HO2' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.262 1 C5'-C4'-C3' 106.667 -5.888 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.543 2 O4'-C1'-N19 116.647 8.447 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . 0.439 " H4'" " O5'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.216 3 O4'-C1'-N19 117.996 9.796 . 0.0 OUTLIER '7D dist 4b' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.439 " O5'" " H4'" ' B' ' 33' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.406 -3.894 1 O4'-C1'-C2' 98.559 -5.6 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.732 1 O4'-C1'-N19 119.265 11.065 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.799 3 C4'-C3'-C2' 94.576 -8.124 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.418 4 C4'-C3'-C2' 94.379 -8.321 . 0.376 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.73 1 O5'-C5'-C4' 115.862 4.045 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.542 6 O4'-C1'-N19 116.446 8.246 . 0.354 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.435 2 O4'-C1'-N19 117.598 9.398 . 0.473 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.497 3 C4'-C3'-C2' 97.734 -4.966 . 0.319 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.107 4 O4'-C1'-N19 116.437 8.237 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . 0.424 ' C2 ' ' C2 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.41 -3.555 1 C4'-C3'-C2' 96.834 -5.866 . 0.477 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.18 3 C4'-C3'-C2' 97.141 -5.559 . 0.056 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.313 4 C4'-C3'-C2' 96.72 -5.98 . 0.161 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 . . . . . 0 CA--C 1.519 -0.233 0 CA-C-O 124.83 2.252 . . . . 0.0 112.969 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.2 p -147.37 146.28 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 1 O-C-N 114.397 -5.189 . . . . 0.0 109.76 176.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -125.71 148.26 49.1 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 127.078 2.151 . . . . 0.0 109.095 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.2 m -106.12 146.5 30.12 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 105.691 -1.966 . . . . 0.0 105.691 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -139.96 108.04 5.74 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 104.388 -2.449 . . . . 0.0 104.388 157.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.407 ' HE3' ' OP2' ' B' ' 27' ' ' ' A' 0.365 64.6 mttt 48.62 63.48 2.08 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 126.091 2.119 . . . . 0.0 112.525 156.802 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.19 -20.07 7.38 Favored Glycine 0 N--CA 1.441 -0.974 1 C-N-CA 131.107 4.194 . . . . 0.0 118.397 -176.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -87.86 154.87 20.19 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 118.254 -2.909 . . . . 0.0 111.929 170.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -138.16 160.73 38.65 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 127.548 3.03 . . . . 0.0 111.738 166.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.7 tt -154.93 129.47 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-O 118.386 -0.816 . . . . 0.0 109.748 -173.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -78.49 143.58 36.51 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 128.027 2.531 . . . . 0.0 112.744 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.271 4.9 pt -130.93 81.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 128.372 2.669 . . . . 0.0 113.703 164.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -1.101 0 CA-C-N 122.491 1.925 . . . . 0.0 107.412 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.705 2 C5'-C4'-O4' 102.693 -4.648 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.864 3 C4'-C3'-C2' 95.049 -7.651 . 0.262 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.476 7 C5'-C4'-O4' 124.04 10.6 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.634 3 C3'-C2'-C1' 95.511 -6.655 . 0.2 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.874 1 O3'-P-O5' 112.465 4.456 . 0.289 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.053 2 OP1-P-OP2 127.622 5.348 . 0.025 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 3 N19-C1'-C2' 102.012 -7.118 . 0.01 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.613 1 C5'-C4'-C3' 108.264 -4.824 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.602 2 O4'-C1'-N19 113.379 5.179 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.916 1 O5'-C5'-C4' 117.764 5.403 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . 0.407 ' OP2' ' HE3' ' A' ' 6' ' ' LYS . . . . . . . . 0 O4'--C4' 1.41 -3.577 1 C4'-C3'-C2' 98.634 -4.066 . 0.021 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.702 2 P-O3'-C3' 125.959 5.216 . 0.873 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.585 7 O4'-C1'-N19 119.66 11.46 . 0.17 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.686 0 O4'-C1'-N19 111.313 3.113 . 0.01 5r . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.134 0 C5'-C4'-C3' 109.667 -3.888 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.286 3 O4'-C1'-N19 117.058 8.858 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 3 C3'-C2'-C1' 95.845 -6.284 . 0.203 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.304 3 C1'-O4'-C4' 102.657 -7.714 . 0.01 0b . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 1 C3'-C2'-C1' 105.278 4.198 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 2 O4'-C1'-N19 112.659 4.459 . 0.126 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.579 1 O4'-C1'-N19 114.477 6.277 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . 0.459 " H2'" ' C6 ' ' B' ' 39' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.09 3 C5'-C4'-C3' 108.148 -4.901 . 0.441 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . 0.459 ' C6 ' " H2'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.41 -3.579 3 C5'-C4'-O4' 119.139 7.099 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.278 4 P-O3'-C3' 130.245 8.787 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.835 2 O4'-C1'-N19 114.562 6.362 . 0.017 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.232 4 O4'-C1'-N19 112.742 4.542 . 0.713 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 2 O4'-C1'-N19 113.626 5.426 . 0.175 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.011 1 C3'-C2'-C1' 105.35 4.278 . 0.058 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.5 3 O5'-C5'-C4' 117.056 4.897 . 0.628 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 . . . . . 0 N--CA 1.447 -0.618 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.5 p -129.64 145.03 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-O 116.485 -1.722 . . . . 0.0 109.561 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.426 ' NH1' ' C6 ' ' B' ' 22' ' ' ' A' . 39.2 mtp180 -112.68 141.19 46.75 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 126.048 1.739 . . . . 0.0 110.768 170.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.7 m -110.18 148.95 30.83 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 125.562 1.789 . . . . 0.0 115.091 171.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -152.86 85.09 1.23 Allowed 'General case' 0 CA--C 1.53 0.192 0 O-C-N 119.08 -2.262 . . . . 0.0 114.028 -178.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.453 ' HE2' ' O2 ' ' B' ' 24' ' ' ' C' . 30.0 mttt 41.29 60.77 1.98 Allowed 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 127.167 3.365 . . . . 0.0 115.581 173.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.04 -27.26 11.08 Favored Glycine 0 CA--C 1.522 0.492 0 O-C-N 118.06 -2.9 . . . . 0.0 113.229 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -103.93 157.18 17.27 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 126.212 2.911 . . . . 0.0 106.622 -173.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -139.67 150.54 45.03 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 130.703 3.601 . . . . 0.0 111.399 170.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.7 tt -148.76 125.54 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 125.755 1.622 . . . . 0.0 108.804 -173.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.1 mtm-85 -71.37 137.91 48.77 Favored 'General case' 0 CA--C 1.514 -0.44 0 O-C-N 120.211 -1.556 . . . . 0.0 111.399 170.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 pt -119.52 64.99 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 O-C-N 118.571 -2.581 . . . . 0.0 109.411 170.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo . . . . . 0 N--CA 1.453 -0.897 1 C-N-CA 127.191 5.26 . . . . 0.0 115.636 175.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.653 2 O4'-C1'-N19 114.998 6.798 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.246 1 N19-C1'-C2' 104.488 -5.57 . 0.637 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.676 3 O5'-C5'-C4' 119.82 6.871 . 0.108 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 2 C5'-C4'-O4' 117.041 5.601 . 0.157 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.887 3 O4'-C1'-N19 115.409 7.209 . 0.07 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.426 ' C6 ' ' NH1' ' A' ' 3' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -2.978 3 C3'-C2'-C1' 106.5 5.556 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.03 2 C5'-C4'-O4' 101.915 -5.203 . 0.053 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.453 ' O2 ' ' HE2' ' A' ' 6' ' ' LYS . . . . . . . . 0 O4'--C4' 1.413 -3.302 2 C5'-C4'-O4' 101.813 -5.276 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.413 3 C3'-C2'-C1' 108.378 7.643 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . 0.683 HO2' " H5'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.41 -3.548 3 C3'-C2'-C1' 97.315 -4.65 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . 0.683 " H5'" HO2' ' B' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.409 -3.696 3 C3'-C2'-C1' 106.725 5.805 . 0.102 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.317 1 C4'-C3'-C2' 98.381 -4.319 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.328 2 C5'-C4'-O4' 116.905 5.503 . 0.63 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.44 HO2' ' P ' ' B' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.408 -3.744 1 O4'-C1'-N19 115.962 7.762 . 0.011 5r . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . 0.44 ' P ' HO2' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.408 -3.76 1 P-O3'-C3' 127.253 6.294 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.131 1 O4'-C1'-N19 116.662 8.462 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . 0.423 " H4'" ' C8 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.41 -3.592 1 OP1-P-OP2 113.218 -4.255 . 0.0 OUTLIER '7D dist 4b' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.423 ' C8 ' " H4'" ' B' ' 33' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.167 1 O5'-C5'-C4' 119.002 6.287 . 0.0 OUTLIER '7D dist 0b' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.349 1 O4'-C1'-N19 101.373 -6.827 . 0.019 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.309 3 C4'-C3'-C2' 95.319 -7.381 . 0.368 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.777 1 C5'-C4'-O4' 121.881 9.058 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.786 2 C5'-C4'-O4' 117.881 6.201 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.426 3 C4'-C3'-C2' 95.325 -7.375 . 0.177 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.46 6 C5'-C4'-C3' 106.363 -6.091 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.626 2 O4'-C1'-N19 117.922 9.722 . 0.06 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.732 1 C4'-C3'-C2' 97.604 -5.096 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.524 0 C5'-C4'-O4' 114.728 3.949 . 0.929 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.545 1 C5'-C4'-O4' 120.076 7.768 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.283 0 C3'-C2'-O2' 102.487 -3.728 . 0.034 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 . . . . . 0 N--CA 1.446 -0.649 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.8 t -142.88 149.75 18.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 O-C-N 119.229 -2.169 . . . . 0.0 109.301 176.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -138.1 171.02 15.03 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 126.999 2.12 . . . . 0.0 111.356 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.0 t -108.83 151.01 26.82 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 118.599 -2.563 . . . . 0.0 111.95 166.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -149.09 105.96 3.57 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 126.937 2.095 . . . . 0.0 114.06 177.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.252 25.4 mmtm 53.57 43.16 31.58 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 117.049 2.24 . . . . 0.0 117.049 -174.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.87 3.22 88.13 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 120.669 3.027 . . . . 0.0 120.669 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.9 mtt85 -106.87 141.5 37.99 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 128.025 2.53 . . . . 0.0 114.698 169.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.8 mtm-85 -75.45 119.3 19.33 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 123.155 1.455 . . . . 0.0 112.761 164.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.324 20.5 tt -109.86 135.35 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -81.13 162.3 23.73 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 167.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.0 pt -153.49 70.88 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 C-N-CA 128.248 2.619 . . . . 0.0 107.362 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo . . . . . 0 N--CA 1.447 -1.246 0 N-CA-C 121.141 3.477 . . . . 0.0 121.141 -177.646 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 2 C5'-C4'-O4' 115.834 4.738 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.909 2 O5'-C5'-C4' 118.334 5.81 . 0.272 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.46 3 O4'-C1'-N19 118.898 10.698 . 0.815 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.601 4 C4'-C3'-C2' 96.504 -6.196 . 0.231 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.097 3 O4'-C1'-N19 113.428 5.228 . 0.389 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 5 C4'-C3'-C2' 94.262 -8.438 . 0.366 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.03 2 C1'-O4'-C4' 115.21 6.233 . 0.01 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.597 2 C4'-C3'-C2' 97.741 -4.959 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.338 4 O4'-C1'-N19 114.747 6.547 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.363 3 O5'-C5'-C4' 117.422 5.159 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.313 3 C5'-C4'-O4' 119.244 7.174 . 0.473 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.461 3 C4'-C3'-C2' 95.784 -6.916 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.261 0 O4'-C1'-N19 104.36 -3.84 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.758 3 C3'-C2'-C1' 105.765 4.739 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 1 C5'-C4'-O4' 116.623 5.302 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 5 O4'-C1'-N19 115.462 7.262 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . 0.419 HO2' ' P ' ' B' ' 34' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.198 3 O5'-C5'-C4' 121.013 7.723 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.419 ' P ' HO2' ' B' ' 33' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.402 -4.24 3 C4'-C3'-C2' 96.541 -6.159 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.771 2 C3'-C2'-C1' 106.826 5.918 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O3'-P-O5' 96.8 -3.789 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.77 2 O4'-C1'-N19 113.673 5.473 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.977 3 C3'-C2'-C1' 108.05 7.278 . 0.269 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.234 2 P-O3'-C3' 125.613 4.928 . 0.398 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.928 2 O4'-C1'-N19 119.324 11.124 . 0.575 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.593 3 C5'-C4'-O4' 119.49 7.35 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.682 4 C4'-C3'-C2' 96.299 -6.401 . 0.449 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.946 2 O4'-C1'-N19 114.35 6.15 . 0.221 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.197 2 C5'-C4'-O4' 115.983 4.845 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.891 0 O4'-C1'-N19 112.085 3.885 . 0.37 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 . . . . . 0 N--CA 1.443 -0.813 0 CA-C-O 125.799 2.714 . . . . 0.0 105.957 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.7 t -122.87 157.54 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 O-C-N 117.825 -3.047 . . . . 0.0 109.256 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -157.85 166.52 32.46 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 130.604 3.562 . . . . 0.0 111.368 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 t -113.3 137.12 51.97 Favored 'General case' 0 CA--C 1.515 -0.369 0 O-C-N 119.267 -2.146 . . . . 0.0 110.496 170.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.2 ttt-85 -136.31 118.8 15.83 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 130.426 3.49 . . . . 0.0 107.974 169.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt 50.85 41.17 26.35 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 128.783 2.833 . . . . 0.0 114.536 155.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.9 11.97 66.95 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 126.558 2.028 . . . . 0.0 117.601 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.5 mtt85 -136.65 144.41 43.99 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 127.255 2.385 . . . . 0.0 113.347 168.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.1 mtm-85 -88.05 100.45 12.94 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 128.502 2.721 . . . . 0.0 109.181 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.2 tt -85.38 152.22 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 O-C-N 126.554 2.409 . . . . 0.0 106.901 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -112.31 163.57 14.24 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 123.125 1.441 . . . . 0.0 112.838 174.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -143.56 81.44 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 O-C-N 119.305 -2.122 . . . . 0.0 105.765 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 N--CA 1.456 -0.727 0 C-N-CA 124.536 3.49 . . . . 0.0 112.133 -173.598 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.006 0 N19-C1'-C2' 107.784 -3.51 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.546 0 C4'-C3'-C2' 99.005 -3.695 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.57 4 C3'-C2'-C1' 107.349 6.499 . 0.142 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.122 0 O4'-C4'-C3' 100.737 -3.402 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.379 1 N19-C1'-C2' 106.488 -4.32 . 0.437 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.673 2 O4'-C1'-N19 115.738 7.538 . 0.502 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 0.437 " H4'" " H2'" ' B' ' 25' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.404 -4.112 3 C3'-C2'-C1' 97.128 -4.858 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.986 1 C5'-C4'-C3' 108.846 -4.436 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . 0.437 " H2'" " H4'" ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.412 -3.442 2 O4'-C1'-N19 116.376 8.176 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.685 1 O4'-C1'-N19 114.037 5.837 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.857 2 O3'-P-O5' 115.604 6.107 . 0.575 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.637 3 O4'-C1'-N19 117.53 9.33 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.317 3 C5'-C4'-O4' 121.581 8.844 . 0.01 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.552 2 C1'-O4'-C4' 114.637 5.596 . 0.421 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.006 1 O5'-C5'-C4' 118.289 5.778 . 0.082 3b . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.551 5 O4'-C1'-N19 113.538 5.338 . 0.01 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.777 1 C5'-C4'-O4' 101.493 -5.505 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.505 0 C5'-C4'-C3' 121.313 3.875 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.449 5 C3'-C2'-C1' 109.758 9.176 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.698 3 P-O3'-C3' 125.166 4.555 . 0.081 3a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.208 2 O4'-C1'-N19 115.653 7.453 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.869 4 C4'-C3'-C2' 94.672 -8.028 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.326 0 N19-C1'-C2' 107.494 -3.691 . 0.592 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.431 2 O4'-C1'-N19 115.358 7.158 . 0.011 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.452 1 O4'-C1'-N19 114.014 5.814 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.779 2 C1'-O4'-C4' 113.92 4.8 . 0.099 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.327 4 C5'-C4'-O4' 118.66 6.757 . 0.077 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.595 4 O4'-C1'-N19 118.484 10.284 . 0.132 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.845 1 O4'-C1'-N19 116.769 8.569 . 0.712 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.4 t -126.65 139.1 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 O-C-N 119.228 -2.17 . . . . 0.0 111.965 -177.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -119.82 175.13 6.03 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.329 1.852 . . . . 0.0 113.916 165.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 t -115.97 151.8 34.73 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 122.059 0.933 . . . . 0.0 111.709 159.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.1 ttt-85 -154.2 112.32 3.54 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 127.481 2.313 . . . . 0.0 113.6 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm 44.15 64.03 1.44 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 126.973 2.109 . . . . 0.0 113.545 174.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.32 3.2 61.04 Favored Glycine 0 C--O 1.219 -0.818 0 N-CA-C 122.685 3.834 . . . . 0.0 122.685 -175.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -120.24 149.09 42.83 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 118.386 -2.832 . . . . 0.0 112.874 176.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.9 mtm-85 -96.09 124.86 40.26 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 124.375 2.036 . . . . 0.0 112.683 165.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.0 tt -129.97 135.7 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-O 124.86 2.267 . . . . 0.0 109.002 -164.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -93.32 141.83 28.0 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 113.213 -1.812 . . . . 0.0 114.076 -172.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -113.83 86.0 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 C-N-CA 126.954 2.101 . . . . 0.0 107.242 156.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo . . . . . 0 N--CA 1.455 -0.748 0 C-N-CA 123.209 2.606 . . . . 0.0 114.109 172.507 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.722 1 C1'-O4'-C4' 105.069 -5.034 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.373 3 O4'-C1'-N19 117.076 8.876 . 0.727 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.917 3 O4'-C1'-N19 117.715 9.515 . 0.721 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.42 2 O4'-C1'-N19 113.418 5.218 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.833 3 O4'-C1'-N19 116.959 8.759 . 0.632 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.635 1 N19-C1'-C2' 105.921 -4.674 . 0.497 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.93 1 C1'-O4'-C4' 115.785 6.873 . 0.01 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.958 1 O4'-C1'-N19 114.103 5.903 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.495 2 C4'-C3'-C2' 97.981 -4.719 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.233 1 P-O3'-C3' 127.633 6.611 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.899 1 C1'-O4'-C4' 113.582 4.425 . 0.628 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.701 3 C3'-C2'-C1' 106.77 5.855 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.019 3 O4'-C1'-N19 115.655 7.455 . 0.112 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.454 3 N19-C1'-C2' 122.073 5.42 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.661 2 C3'-C2'-C1' 93.256 -9.16 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.636 3 O4'-C1'-N19 116.24 8.04 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.758 2 C5'-C4'-C3' 122.584 4.723 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.045 1 O5'-C5'-C4' 121.047 7.748 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.453 2 O5'-C5'-C4' 118.055 5.611 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.901 3 C5'-C4'-C3' 104.088 -7.608 . 0.138 3g . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.612 3 O4'-C1'-N19 118.344 10.144 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.793 3 C5'-C4'-O4' 117.943 6.245 . 0.223 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.713 0 C5'-C4'-C3' 111.121 -2.919 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.565 3 O4'-C1'-N19 116.314 8.114 . 0.046 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.404 1 C4'-C3'-C2' 96.46 -6.24 . 0.188 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.387 3 O4'-C1'-N19 120.256 12.056 . 0.421 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.523 3 C4'-C3'-C2' 95.492 -7.208 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C3'-C2'-C1' 104.655 3.506 . 0.089 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.328 5 C3'-C2'-C1' 107.095 6.217 . 0.049 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 118.55 2.796 . . . . 0.0 118.55 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 p -91.78 132.09 37.15 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 167.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 88.7 mmt-85 -144.32 -178.72 6.11 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 129.568 3.147 . . . . 0.0 109.652 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.7 m -151.26 113.06 4.46 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 129.351 3.061 . . . . 0.0 110.167 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -113.28 123.48 50.24 Favored 'General case' 0 N--CA 1.445 -0.71 1 C-N-CA 132.388 4.275 . . . . 0.0 108.007 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt 48.72 56.21 7.98 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 129.305 3.042 . . . . 0.0 116.761 -170.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.89 27.24 20.48 Favored Glycine 0 C--N 1.342 0.873 0 CA-C-O 115.034 -3.092 . . . . 0.0 114.709 -175.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -132.33 149.49 52.35 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 120.606 2.203 . . . . 0.0 115.178 165.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -72.95 113.26 9.79 Favored 'General case' 0 N--CA 1.443 -0.818 1 C-N-CA 132.381 4.272 . . . . 0.0 116.26 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.1 tt -129.99 145.41 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 -168.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -114.61 134.39 55.09 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 103.799 -2.667 . . . . 0.0 103.799 -173.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.6 mm . . . . . 0 N--CA 1.453 -0.318 0 CA-C-N 111.169 -2.741 . . . . 0.0 105.832 -169.383 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 . . . . . 0 N--CA 1.443 -0.777 0 CA-C-O 123.126 1.441 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 p -127.76 136.54 60.12 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 O-C-N 117.243 -3.411 . . . . 0.0 106.189 172.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 -132.72 -174.17 3.39 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 120.126 -1.609 . . . . 0.0 107.869 174.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.1 m -103.03 148.99 25.01 Favored 'General case' 0 CA--C 1.518 -0.253 0 O-C-N 117.886 -3.009 . . . . 0.0 110.071 161.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -130.64 87.72 2.53 Favored 'General case' 0 N--CA 1.45 -0.433 1 O-C-N 114.338 -5.226 . . . . 0.0 115.087 159.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.449 58.3 mttm 65.26 64.72 0.6 Allowed 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 126.189 2.181 . . . . 0.0 109.621 -173.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.23 -15.68 43.27 Favored Glycine 0 CA--C 1.525 0.692 0 O-C-N 118.512 -2.618 . . . . 0.0 116.559 174.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.357 10.0 ptm180 -118.56 145.93 44.98 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 118.333 1.066 . . . . 0.0 112.555 -169.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -73.52 133.67 43.66 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 116.964 -1.493 . . . . 0.0 107.991 -175.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.1 tt -138.68 127.09 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 119.95 1.25 . . . . 0.0 110.188 172.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -67.7 133.24 48.96 Favored 'General case' 0 N--CA 1.445 -0.693 0 O-C-N 127.207 2.817 . . . . 0.0 110.286 166.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.7 mm . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 100.954 -3.721 . . . . 0.0 100.954 -179.186 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 . . . . . 0 N--CA 1.442 -0.854 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.6 m -147.36 156.04 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 O-C-N 125.273 1.608 . . . . 0.0 112.828 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -149.49 -174.13 4.59 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.704 2.001 . . . . 0.0 113.949 -176.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 t -118.92 152.14 36.86 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.879 1.672 . . . . 0.0 112.461 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.7 ttt-85 -152.49 98.53 2.39 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 127.45 2.3 . . . . 0.0 110.853 165.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.318 22.5 mttm 50.55 68.09 0.82 Allowed 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 128.895 2.878 . . . . 0.0 113.155 171.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.94 -6.82 56.98 Favored Glycine 0 CA--C 1.528 0.851 1 CA-C-O 127.969 4.094 . . . . 0.0 116.268 167.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -138.91 145.95 40.5 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 117.928 -3.101 . . . . 0.0 107.657 -166.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -89.49 106.95 18.79 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 119.142 3.015 . . . . 0.0 119.142 170.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.458 HD13 HG21 ' A' ' 10' ' ' ILE . 10.2 tt -76.78 161.85 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 115.902 -1.999 . . . . 0.0 112.876 174.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 -124.3 143.0 50.81 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 126.622 2.451 . . . . 0.0 105.757 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.252 2.7 pt . . . . . 0 N--CA 1.452 -0.342 0 CA-C-N 112.945 -1.934 . . . . 0.0 109.484 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 . . . . . 0 N--CA 1.451 -0.409 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 m -128.26 148.92 32.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 174.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -135.4 176.89 8.26 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 126.841 2.588 . . . . 0.0 106.794 170.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.7 t -124.69 138.91 54.27 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 127.217 3.389 . . . . 0.0 112.805 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -130.99 98.28 4.55 Favored 'General case' 0 N--CA 1.447 -0.597 1 O-C-N 113.337 -5.852 . . . . 0.0 110.319 177.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 49.1 mttm 39.29 61.66 1.28 Allowed 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.181 1.792 . . . . 0.0 110.492 176.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.81 9.12 58.82 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-O 118.219 -1.323 . . . . 0.0 112.286 164.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.0 mtt85 -136.06 141.47 44.28 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 122.84 3.32 . . . . 0.0 111.632 169.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -88.94 103.99 16.54 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 127.131 2.173 . . . . 0.0 110.055 -175.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.6 tt -88.88 133.76 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 O-C-N 125.916 2.01 . . . . 0.0 111.875 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -86.76 144.87 26.87 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 129.43 3.092 . . . . 0.0 110.033 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 N--CA 1.441 -0.888 0 O-C-N 126.276 2.235 . . . . 0.0 108.102 170.702 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.291 29.9 mtp180 . . . . . 0 N--CA 1.445 -0.696 0 CA-C-O 122.533 1.158 . . . . 0.0 113.423 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.2 p -160.39 118.07 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 112.391 -2.186 . . . . 0.0 115.453 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -103.41 142.37 34.35 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 127.058 2.143 . . . . 0.0 112.161 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.5 m -110.92 141.06 44.85 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.979 2.111 . . . . 0.0 111.808 172.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -133.0 119.88 20.65 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 117.712 -3.118 . . . . 0.0 108.899 161.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.9 mttt 37.7 65.77 0.52 Allowed 'General case' 0 N--CA 1.453 -0.302 1 O-C-N 116.14 -4.1 . . . . 0.0 114.727 168.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.5 -2.52 10.65 Favored Glycine 0 C--N 1.343 0.971 0 N-CA-C 120.275 2.87 . . . . 0.0 120.275 -174.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -98.93 153.32 18.91 Favored 'General case' 0 N--CA 1.456 -0.152 1 CA-C-N 125.708 4.754 . . . . 0.0 114.273 157.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -135.68 136.71 41.13 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 123.38 1.562 . . . . 0.0 111.631 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.7 tt -128.76 117.02 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 1 O-C-N 115.952 -4.218 . . . . 0.0 114.45 -177.219 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.6 mtp-105 -77.15 143.81 38.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 124.405 2.05 . . . . 0.0 114.307 172.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.9 pt . . . . . 0 N--CA 1.444 -0.729 0 C-N-CA 128.737 2.815 . . . . 0.0 112.873 -176.034 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 . . . . . 0 CA--C 1.519 -0.233 0 CA-C-O 124.83 2.252 . . . . 0.0 112.969 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.2 p -147.37 146.28 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 1 O-C-N 114.397 -5.189 . . . . 0.0 109.76 176.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -125.71 148.26 49.1 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 127.078 2.151 . . . . 0.0 109.095 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.2 m -106.12 146.5 30.12 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 105.691 -1.966 . . . . 0.0 105.691 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -139.96 108.04 5.74 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 104.388 -2.449 . . . . 0.0 104.388 157.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.365 64.6 mttt 48.62 63.48 2.08 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 126.091 2.119 . . . . 0.0 112.525 156.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.19 -20.07 7.38 Favored Glycine 0 N--CA 1.441 -0.974 1 C-N-CA 131.107 4.194 . . . . 0.0 118.397 -176.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -87.86 154.87 20.19 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 118.254 -2.909 . . . . 0.0 111.929 170.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -138.16 160.73 38.65 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 127.548 3.03 . . . . 0.0 111.738 166.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.7 tt -154.93 129.47 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-O 118.386 -0.816 . . . . 0.0 109.748 -173.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -78.49 143.58 36.51 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 128.027 2.531 . . . . 0.0 112.744 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.271 4.9 pt . . . . . 0 C--N 1.328 -0.367 0 C-N-CA 128.372 2.669 . . . . 0.0 113.703 164.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 . . . . . 0 N--CA 1.447 -0.618 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.5 p -129.64 145.03 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-O 116.485 -1.722 . . . . 0.0 109.561 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -112.68 141.19 46.75 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 126.048 1.739 . . . . 0.0 110.768 170.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.7 m -110.18 148.95 30.83 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 125.562 1.789 . . . . 0.0 115.091 171.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -152.86 85.09 1.23 Allowed 'General case' 0 CA--C 1.53 0.192 0 O-C-N 119.08 -2.262 . . . . 0.0 114.028 -178.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.0 mttt 41.29 60.77 1.98 Allowed 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 127.167 3.365 . . . . 0.0 115.581 173.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.04 -27.26 11.08 Favored Glycine 0 CA--C 1.522 0.492 0 O-C-N 118.06 -2.9 . . . . 0.0 113.229 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -103.93 157.18 17.27 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 126.212 2.911 . . . . 0.0 106.622 -173.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -139.67 150.54 45.03 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 130.703 3.601 . . . . 0.0 111.399 170.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.7 tt -148.76 125.54 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 125.755 1.622 . . . . 0.0 108.804 -173.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.1 mtm-85 -71.37 137.91 48.77 Favored 'General case' 0 CA--C 1.514 -0.44 0 O-C-N 120.211 -1.556 . . . . 0.0 111.399 170.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 pt . . . . . 0 N--CA 1.45 -0.46 0 O-C-N 118.571 -2.581 . . . . 0.0 109.411 170.474 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 . . . . . 0 N--CA 1.446 -0.649 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.8 t -142.88 149.75 18.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 O-C-N 119.229 -2.169 . . . . 0.0 109.301 176.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -138.1 171.02 15.03 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 126.999 2.12 . . . . 0.0 111.356 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.0 t -108.83 151.01 26.82 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 118.599 -2.563 . . . . 0.0 111.95 166.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -149.09 105.96 3.57 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 126.937 2.095 . . . . 0.0 114.06 177.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.252 25.4 mmtm 53.57 43.16 31.58 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 117.049 2.24 . . . . 0.0 117.049 -174.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.87 3.22 88.13 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 120.669 3.027 . . . . 0.0 120.669 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.9 mtt85 -106.87 141.5 37.99 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 128.025 2.53 . . . . 0.0 114.698 169.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.8 mtm-85 -75.45 119.3 19.33 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 123.155 1.455 . . . . 0.0 112.761 164.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.324 20.5 tt -109.86 135.35 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -81.13 162.3 23.73 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 167.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.0 pt . . . . . 0 N--CA 1.447 -0.624 0 C-N-CA 128.248 2.619 . . . . 0.0 107.362 173.732 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 . . . . . 0 N--CA 1.443 -0.813 0 CA-C-O 125.799 2.714 . . . . 0.0 105.957 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.7 t -122.87 157.54 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 O-C-N 117.825 -3.047 . . . . 0.0 109.256 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -157.85 166.52 32.46 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 130.604 3.562 . . . . 0.0 111.368 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 t -113.3 137.12 51.97 Favored 'General case' 0 CA--C 1.515 -0.369 0 O-C-N 119.267 -2.146 . . . . 0.0 110.496 170.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.2 ttt-85 -136.31 118.8 15.83 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 130.426 3.49 . . . . 0.0 107.974 169.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt 50.85 41.17 26.35 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 128.783 2.833 . . . . 0.0 114.536 155.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.9 11.97 66.95 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 126.558 2.028 . . . . 0.0 117.601 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.5 mtt85 -136.65 144.41 43.99 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 127.255 2.385 . . . . 0.0 113.347 168.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.1 mtm-85 -88.05 100.45 12.94 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 128.502 2.721 . . . . 0.0 109.181 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.2 tt -85.38 152.22 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 O-C-N 126.554 2.409 . . . . 0.0 106.901 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -112.31 163.57 14.24 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 123.125 1.441 . . . . 0.0 112.838 174.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 O-C-N 119.305 -2.122 . . . . 0.0 105.765 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.4 t -126.65 139.1 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 O-C-N 119.228 -2.17 . . . . 0.0 111.965 -177.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -119.82 175.13 6.03 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.329 1.852 . . . . 0.0 113.916 165.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 t -115.97 151.8 34.73 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 122.059 0.933 . . . . 0.0 111.709 159.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.1 ttt-85 -154.2 112.32 3.54 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 127.481 2.313 . . . . 0.0 113.6 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm 44.15 64.03 1.44 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 126.973 2.109 . . . . 0.0 113.545 174.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.32 3.2 61.04 Favored Glycine 0 C--O 1.219 -0.818 0 N-CA-C 122.685 3.834 . . . . 0.0 122.685 -175.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -120.24 149.09 42.83 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 118.386 -2.832 . . . . 0.0 112.874 176.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.9 mtm-85 -96.09 124.86 40.26 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 124.375 2.036 . . . . 0.0 112.683 165.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.0 tt -129.97 135.7 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-O 124.86 2.267 . . . . 0.0 109.002 -164.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -93.32 141.83 28.0 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 113.213 -1.812 . . . . 0.0 114.076 -172.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.398 0 C-N-CA 126.954 2.101 . . . . 0.0 107.242 156.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 118.55 2.796 . . . . 0.0 118.55 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 p -91.78 132.09 37.15 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 167.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 88.7 mmt-85 -144.32 -178.72 6.11 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 129.568 3.147 . . . . 0.0 109.652 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.7 m -151.26 113.06 4.46 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 129.351 3.061 . . . . 0.0 110.167 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.437 ' HD3' ' C4 ' ' B' ' 23' ' ' ' U' . 11.6 ttp180 -113.28 123.48 50.24 Favored 'General case' 0 N--CA 1.445 -0.71 1 C-N-CA 132.388 4.275 . . . . 0.0 108.007 179.302 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt 48.72 56.21 7.98 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 129.305 3.042 . . . . 0.0 116.761 -170.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.89 27.24 20.48 Favored Glycine 0 C--N 1.342 0.873 0 CA-C-O 115.034 -3.092 . . . . 0.0 114.709 -175.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -132.33 149.49 52.35 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 120.606 2.203 . . . . 0.0 115.178 165.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -72.95 113.26 9.79 Favored 'General case' 0 N--CA 1.443 -0.818 1 C-N-CA 132.381 4.272 . . . . 0.0 116.26 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.1 tt -129.99 145.41 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 -168.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -114.61 134.39 55.09 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 103.799 -2.667 . . . . 0.0 103.799 -173.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.6 mm -125.49 80.46 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 111.169 -2.741 . . . . 0.0 105.832 -169.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 N--CA 1.449 -1.095 0 C-N-CA 123.714 2.942 . . . . 0.0 114.719 -179.666 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 2 C5'-C4'-O4' 122.666 9.619 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.296 4 C4'-C3'-C2' 94.759 -7.941 . 0.56 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.675 1 C5'-C4'-O4' 116.657 5.327 . 0.616 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.518 2 O4'-C1'-N19 113.423 5.223 . 0.2 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.432 0 C5'-C4'-C3' 120.997 3.665 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.632 1 O3'-P-O5' 95.026 -4.723 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . 0.437 ' C4 ' ' HD3' ' A' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.405 -3.969 1 O4'-C1'-N19 116.609 8.409 . 0.108 3b . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.368 0 C5'-C4'-C3' 110.814 -3.124 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.692 2 O4'-C1'-N19 117.149 8.949 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 5 O4'-C1'-N19 116.247 8.047 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.372 1 C5'-C4'-O4' 116.703 5.36 . 0.304 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.611 4 O5'-C5'-C4' 119.855 6.896 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.527 2 C3'-C2'-C1' 107.434 6.594 . 0.535 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.899 1 C4'-C3'-C2' 98.184 -4.516 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.387 3 O4'-C1'-N19 113.483 5.283 . 0.0 OUTLIER '7D dist 0b' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . 0.413 " H5'" ' N3 ' ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.228 4 P-O3'-C3' 129.062 7.802 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.587 3 C1'-O4'-C4' 116.85 8.055 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.555 2 C1'-O4'-C4' 102.731 -7.632 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.452 1 O5'-C5'-C4' 117.293 5.067 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.514 4 P-O3'-C3' 130.246 8.789 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.428 1 O4'-C4'-C3' 97.675 -5.589 . 0.891 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.59 1 C3'-C2'-C1' 95.046 -7.171 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.728 6 C4'-C3'-C2' 94.813 -7.887 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.686 0 C5'-C4'-O4' 114.455 3.754 . 0.204 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.572 2 C4'-C3'-C2' 94.551 -8.149 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.99 3 C4'-C3'-C2' 94.896 -7.804 . 0.096 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.479 2 O4'-C1'-N19 114.561 6.361 . 0.171 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.44 2 C1'-O4'-C4' 116.106 7.228 . 0.759 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.778 1 C1'-O4'-C4' 113.997 4.886 . 0.727 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 . . . . . 0 N--CA 1.443 -0.777 0 CA-C-O 123.126 1.441 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 p -127.76 136.54 60.12 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 O-C-N 117.243 -3.411 . . . . 0.0 106.189 172.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 -132.72 -174.17 3.39 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 120.126 -1.609 . . . . 0.0 107.869 174.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.1 m -103.03 148.99 25.01 Favored 'General case' 0 CA--C 1.518 -0.253 0 O-C-N 117.886 -3.009 . . . . 0.0 110.071 161.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -130.64 87.72 2.53 Favored 'General case' 0 N--CA 1.45 -0.433 1 O-C-N 114.338 -5.226 . . . . 0.0 115.087 159.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.449 58.3 mttm 65.26 64.72 0.6 Allowed 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 126.189 2.181 . . . . 0.0 109.621 -173.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.23 -15.68 43.27 Favored Glycine 0 CA--C 1.525 0.692 0 O-C-N 118.512 -2.618 . . . . 0.0 116.559 174.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.357 10.0 ptm180 -118.56 145.93 44.98 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 118.333 1.066 . . . . 0.0 112.555 -169.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -73.52 133.67 43.66 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 116.964 -1.493 . . . . 0.0 107.991 -175.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.1 tt -138.68 127.09 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 119.95 1.25 . . . . 0.0 110.188 172.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -67.7 133.24 48.96 Favored 'General case' 0 N--CA 1.445 -0.693 0 O-C-N 127.207 2.817 . . . . 0.0 110.286 166.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.7 mm -120.07 73.02 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 100.954 -3.721 . . . . 0.0 100.954 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo . . . . . 0 N--CA 1.448 -1.178 1 C-N-CA 129.42 6.747 . . . . 0.0 115.47 172.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.777 2 O4'-C1'-N19 116.266 8.066 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.414 2 C4'-C3'-C2' 98.205 -4.495 . 0.169 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 3 O4'-C1'-N19 117.295 9.095 . 0.695 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 2 O4'-C1'-N19 112.878 4.678 . 0.737 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 O4'-C1'-N19 110.928 2.728 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.425 4 O5'-C5'-C4' 118.818 6.156 . 0.043 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.816 3 C1'-O4'-C4' 104.472 -5.697 . 0.027 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.931 0 P-O5'-C5' 115.536 -3.353 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.23 3 C3'-C2'-C1' 112.11 11.789 . 0.01 6j . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.893 1 C4'-C3'-C2' 96.944 -5.756 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.208 0 N19-C1'-C2' 107.253 -3.842 . 0.52 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.758 1 O4'-C1'-N19 117.072 8.872 . 0.616 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 3 OP1-P-OP2 110.833 -5.845 . 0.451 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.427 " H4'" " H5'" ' B' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.41 -3.577 4 C4'-C3'-C2' 96.229 -6.471 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . 0.427 " H5'" " H4'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.408 -3.77 1 P-O3'-C3' 125.245 4.621 . 0.099 0b . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.55 3 C4'-C3'-C2' 96.504 -6.196 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.335 2 C3'-C2'-C1' 95.731 -6.41 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.444 2 O4'-C1'-N19 115.723 7.523 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.17 0 C1'-O4'-C4' 106.511 -3.432 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.344 4 C3'-C2'-C1' 108.497 7.774 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . 0.432 " H2'" ' C6 ' ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.411 -3.497 3 O4'-C1'-N19 114.456 6.256 . 0.078 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . 0.432 ' C6 ' " H2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.405 -3.975 3 O4'-C1'-N19 116.67 8.47 . 0.56 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.605 1 O3'-P-O5' 112.0 4.211 . 0.48 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.01 1 C3'-C2'-C1' 107.206 6.34 . 0.668 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 2 P-O3'-C3' 125.383 4.735 . 0.512 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.098 1 O4'-C1'-N19 114.334 6.134 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.285 2 C5'-C4'-O4' 121.566 8.833 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.886 1 N19-C1'-C2' 105.299 -5.063 . 0.364 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.099 4 C4'-C3'-C2' 93.713 -8.987 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 . . . . . 0 N--CA 1.442 -0.854 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.6 m -147.36 156.04 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 O-C-N 125.273 1.608 . . . . 0.0 112.828 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -149.49 -174.13 4.59 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.704 2.001 . . . . 0.0 113.949 -176.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.438 HG23 " H2'" ' B' ' 23' ' ' ' U' . 1.3 t -118.92 152.14 36.86 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.879 1.672 . . . . 0.0 112.461 176.046 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.7 ttt-85 -152.49 98.53 2.39 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 127.45 2.3 . . . . 0.0 110.853 165.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.318 22.5 mttm 50.55 68.09 0.82 Allowed 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 128.895 2.878 . . . . 0.0 113.155 171.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.94 -6.82 56.98 Favored Glycine 0 CA--C 1.528 0.851 1 CA-C-O 127.969 4.094 . . . . 0.0 116.268 167.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -138.91 145.95 40.5 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 117.928 -3.101 . . . . 0.0 107.657 -166.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.485 ' HB2' ' H21' ' B' ' 33' ' ' ' G' . 57.7 ttp180 -89.49 106.95 18.79 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 119.142 3.015 . . . . 0.0 119.142 170.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.458 HD13 HG21 ' A' ' 10' ' ' ILE . 10.2 tt -76.78 161.85 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 115.902 -1.999 . . . . 0.0 112.876 174.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 -124.3 143.0 50.81 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 126.622 2.451 . . . . 0.0 105.757 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.252 2.7 pt -140.61 75.78 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 112.945 -1.934 . . . . 0.0 109.484 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' DPR . . . . . 0.4 ' HD3' " H4'" ' B' ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo . . . . . 0 N--CA 1.446 -1.296 0 CA-C-O 116.7 -1.458 . . . . 0.0 114.574 175.934 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.599 1 C5'-C4'-O4' 119.679 7.485 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.718 2 C5'-C4'-O4' 117.809 6.149 . 0.128 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.933 2 O4'-C1'-N19 113.925 5.725 . 0.105 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.58 3 O5'-C5'-C4' 122.274 8.624 . 0.057 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.514 1 C5'-C4'-O4' 115.026 4.161 . 0.443 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.788 2 N19-C1'-C2' 106.105 -4.559 . 0.857 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . 0.438 " H2'" HG23 ' A' ' 4' ' ' THR . . . . . . . . 0 O4'--C4' 1.405 -3.991 5 O4'-C1'-N19 119.145 10.945 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.579 4 O4'-C1'-N19 113.944 5.744 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.735 4 O4'-C1'-N19 119.791 11.591 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . 0.533 " H4'" ' OP1' ' B' ' 26' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.192 1 O4'-C1'-N19 114.947 6.747 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 2 C4'-C3'-C2' 97.955 -4.745 . 0.439 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.962 2 O4'-C1'-N19 113.839 5.639 . 0.713 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.665 2 N19-C1'-C2' 103.434 -6.229 . 0.362 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.534 4 O4'-C1'-N19 115.625 7.425 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.842 3 O4'-C1'-N19 114.781 6.581 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . 0.52 " H4'" " H5'" ' B' ' 33' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.411 -3.52 5 C5'-C4'-C3' 101.672 -9.218 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . 0.52 " H5'" " H4'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.407 -3.834 6 C5'-C4'-C3' 108.461 -4.693 . 0.01 0b . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.051 1 O4'-C1'-N19 112.367 4.167 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . 0.4 " H4'" ' HD3' ' A' ' 13' ' ' DPR . . . . . . . . 0 O4'--C4' 1.414 -3.24 4 O4'-C1'-N19 118.577 10.377 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 O5'-C5'-C4' 104.632 -3.977 . 0.197 3g . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.506 4 O4'-C1'-N19 114.514 6.314 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.571 4 C5'-C4'-C3' 106.508 -5.994 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.873 3 O4'-C1'-N19 114.635 6.435 . 0.634 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.216 2 O4'-C1'-N19 113.85 5.65 . 0.824 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.995 1 O4'-C1'-N19 115.199 6.999 . 0.736 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.524 2 C4'-C3'-C2' 97.126 -5.574 . 0.45 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.415 1 O4'-C1'-N19 112.454 4.254 . 0.61 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 4 O4'-C1'-N19 115.408 7.208 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 4 O4'-C1'-N19 113.587 5.387 . 0.536 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 . . . . . 0 N--CA 1.451 -0.409 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 m -128.26 148.92 32.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 174.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -135.4 176.89 8.26 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 126.841 2.588 . . . . 0.0 106.794 170.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.7 t -124.69 138.91 54.27 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 127.217 3.389 . . . . 0.0 112.805 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -130.99 98.28 4.55 Favored 'General case' 0 N--CA 1.447 -0.597 1 O-C-N 113.337 -5.852 . . . . 0.0 110.319 177.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 49.1 mttm 39.29 61.66 1.28 Allowed 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.181 1.792 . . . . 0.0 110.492 176.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.81 9.12 58.82 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-O 118.219 -1.323 . . . . 0.0 112.286 164.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.0 mtt85 -136.06 141.47 44.28 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 122.84 3.32 . . . . 0.0 111.632 169.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -88.94 103.99 16.54 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 127.131 2.173 . . . . 0.0 110.055 -175.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.6 tt -88.88 133.76 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 O-C-N 125.916 2.01 . . . . 0.0 111.875 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -86.76 144.87 26.87 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 129.43 3.092 . . . . 0.0 110.033 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.9 pt -141.72 89.81 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 O-C-N 126.276 2.235 . . . . 0.0 108.102 170.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo . . . . . 0 N--CA 1.442 -1.504 0 O-C-N 126.209 2.689 . . . . 0.0 116.722 174.444 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.275 3 C3'-C2'-C1' 95.619 -6.535 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.613 0 C1'-O4'-C4' 106.39 -3.567 . 0.181 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.166 6 O4'-C1'-N19 113.808 5.608 . 0.495 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C1'-O4'-C4' 113.101 3.89 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.689 5 P-O3'-C3' 127.76 6.717 . 0.564 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.671 0 C1'-O4'-C4' 113.067 3.852 . 0.361 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.434 3 O4'-C1'-N19 116.911 8.711 . 0.0 OUTLIER '7D dist 3b' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 6 O4'-C1'-N19 117.513 9.313 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.446 4 C1'-O4'-C4' 101.238 -9.292 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.024 1 C4'-C3'-C2' 98.335 -4.365 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.901 4 C3'-C2'-C1' 107.232 6.369 . 0.889 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.702 5 C1'-O4'-C4' 104.031 -6.188 . 0.579 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.648 5 C4'-C3'-C2' 91.589 -11.111 . 0.579 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 3 C1'-O4'-C4' 103.699 -6.557 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . 0.444 " C5'" " H2'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.409 -3.695 3 O4'-C1'-N19 116.317 8.117 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . 0.492 ' C8 ' ' C6 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.405 -3.966 1 O3'-P-O5' 95.244 -4.608 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.994 2 O4'-C1'-N19 117.132 8.932 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.492 ' C6 ' ' C8 ' ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.406 -3.916 2 C1'-O4'-C4' 105.048 -5.058 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.609 3 C5'-C4'-O4' 117.329 5.807 . 0.172 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.449 3 C5'-C4'-O4' 117.765 6.118 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.794 5 C4'-C3'-C2' 92.733 -9.967 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.557 5 C4'-C3'-C2' 95.434 -7.266 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.486 1 O5'-C5'-C4' 116.234 4.31 . 0.633 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.581 2 C1'-O4'-C4' 114.718 5.687 . 0.692 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 2 C4'-C3'-C2' 97.077 -5.623 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.948 2 C5'-C4'-O4' 115.415 4.439 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.576 4 C3'-C2'-C1' 96.114 -5.984 . 0.405 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.81 6 C5'-C4'-O4' 120.334 7.953 . 0.144 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.52 2 O4'-C1'-N19 117.024 8.824 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.291 29.9 mtp180 . . . . . 0 N--CA 1.445 -0.696 0 CA-C-O 122.533 1.158 . . . . 0.0 113.423 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.2 p -160.39 118.07 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 112.391 -2.186 . . . . 0.0 115.453 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -103.41 142.37 34.35 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 127.058 2.143 . . . . 0.0 112.161 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.5 m -110.92 141.06 44.85 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.979 2.111 . . . . 0.0 111.808 172.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -133.0 119.88 20.65 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 117.712 -3.118 . . . . 0.0 108.899 161.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.9 mttt 37.7 65.77 0.52 Allowed 'General case' 0 N--CA 1.453 -0.302 1 O-C-N 116.14 -4.1 . . . . 0.0 114.727 168.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.5 -2.52 10.65 Favored Glycine 0 C--N 1.343 0.971 0 N-CA-C 120.275 2.87 . . . . 0.0 120.275 -174.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -98.93 153.32 18.91 Favored 'General case' 0 N--CA 1.456 -0.152 1 CA-C-N 125.708 4.754 . . . . 0.0 114.273 157.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -135.68 136.71 41.13 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 123.38 1.562 . . . . 0.0 111.631 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.454 HD12 ' C5 ' ' B' ' 34' ' ' ' G' . 8.7 tt -128.76 117.02 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 1 O-C-N 115.952 -4.218 . . . . 0.0 114.45 -177.219 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.6 mtp-105 -77.15 143.81 38.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 124.405 2.05 . . . . 0.0 114.307 172.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.9 pt -136.9 68.19 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 C-N-CA 128.737 2.815 . . . . 0.0 112.873 -176.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 N--CA 1.449 -1.129 0 C-N-CA 122.592 2.194 . . . . 0.0 111.581 -177.81 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.338 1 C5'-C4'-O4' 116.608 5.291 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.358 2 C5'-C4'-C3' 124.158 5.772 . 0.906 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.948 1 C5'-C4'-O4' 117.615 6.011 . 0.216 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . 0.424 ' C2 ' ' C2 ' ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.408 -3.791 4 OP1-P-OP2 112.07 -5.02 . 0.255 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 2 O5'-C5'-C4' 118.611 6.008 . 0.418 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.893 1 C5'-C4'-O4' 119.469 7.335 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.24 1 N19-C1'-C2' 100.836 -7.852 . 0.029 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 2 O5'-C5'-C4' 120.935 7.668 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.94 3 C3'-C2'-C1' 109.541 8.935 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.471 4 O4'-C1'-N19 113.888 5.688 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.365 2 C4'-C3'-C2' 97.675 -5.025 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.461 2 C5'-C4'-O4' 118.993 6.995 . 0.381 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.859 3 C1'-O4'-C4' 115.935 7.038 . 0.666 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.839 6 N19-C1'-C2' 105.215 -5.116 . 0.225 5r . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . 0.477 H5'' " H2'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.262 1 C5'-C4'-C3' 106.667 -5.888 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . 0.477 " H2'" H5'' ' B' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.41 -3.543 2 O4'-C1'-N19 116.647 8.447 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . 0.403 " H4'" " O5'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.216 3 O4'-C1'-N19 117.996 9.796 . 0.0 OUTLIER '7D dist 4b' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.454 ' C5 ' HD12 ' A' ' 10' ' ' ILE . . . . . . . . 0 O4'--C4' 1.406 -3.894 1 O4'-C1'-C2' 98.559 -5.6 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.732 1 O4'-C1'-N19 119.265 11.065 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.799 3 C4'-C3'-C2' 94.576 -8.124 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.418 4 C4'-C3'-C2' 94.379 -8.321 . 0.376 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.73 1 O5'-C5'-C4' 115.862 4.045 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.542 6 O4'-C1'-N19 116.446 8.246 . 0.354 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.435 2 O4'-C1'-N19 117.598 9.398 . 0.473 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.497 3 C4'-C3'-C2' 97.734 -4.966 . 0.319 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.107 4 O4'-C1'-N19 116.437 8.237 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . 0.424 ' C2 ' ' C2 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.41 -3.555 1 C4'-C3'-C2' 96.834 -5.866 . 0.477 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.18 3 C4'-C3'-C2' 97.141 -5.559 . 0.056 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.313 4 C4'-C3'-C2' 96.72 -5.98 . 0.161 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 . . . . . 0 CA--C 1.519 -0.233 0 CA-C-O 124.83 2.252 . . . . 0.0 112.969 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.2 p -147.37 146.28 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 1 O-C-N 114.397 -5.189 . . . . 0.0 109.76 176.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -125.71 148.26 49.1 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 127.078 2.151 . . . . 0.0 109.095 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.2 m -106.12 146.5 30.12 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 105.691 -1.966 . . . . 0.0 105.691 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -139.96 108.04 5.74 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 104.388 -2.449 . . . . 0.0 104.388 157.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.432 ' HE3' ' OP2' ' B' ' 27' ' ' ' A' 0.365 64.6 mttt 48.62 63.48 2.08 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 126.091 2.119 . . . . 0.0 112.525 156.802 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.19 -20.07 7.38 Favored Glycine 0 N--CA 1.441 -0.974 1 C-N-CA 131.107 4.194 . . . . 0.0 118.397 -176.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -87.86 154.87 20.19 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 118.254 -2.909 . . . . 0.0 111.929 170.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -138.16 160.73 38.65 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 127.548 3.03 . . . . 0.0 111.738 166.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.7 tt -154.93 129.47 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-O 118.386 -0.816 . . . . 0.0 109.748 -173.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -78.49 143.58 36.51 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 128.027 2.531 . . . . 0.0 112.744 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.271 4.9 pt -130.93 81.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 128.372 2.669 . . . . 0.0 113.703 164.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -1.101 0 CA-C-N 122.491 1.925 . . . . 0.0 107.412 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.705 2 C5'-C4'-O4' 102.693 -4.648 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.864 3 C4'-C3'-C2' 95.049 -7.651 . 0.262 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.476 7 C5'-C4'-O4' 124.04 10.6 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.634 3 C3'-C2'-C1' 95.511 -6.655 . 0.2 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.874 1 O3'-P-O5' 112.465 4.456 . 0.289 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.053 2 OP1-P-OP2 127.622 5.348 . 0.025 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 3 N19-C1'-C2' 102.012 -7.118 . 0.01 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.613 1 C5'-C4'-C3' 108.264 -4.824 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.602 2 O4'-C1'-N19 113.379 5.179 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . 0.426 ' N2 ' " H1'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.406 -3.916 1 O5'-C5'-C4' 117.764 5.403 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . 0.432 ' OP2' ' HE3' ' A' ' 6' ' ' LYS . . . . . . . . 0 O4'--C4' 1.41 -3.577 1 C4'-C3'-C2' 98.634 -4.066 . 0.021 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.702 2 P-O3'-C3' 125.959 5.216 . 0.873 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.585 7 O4'-C1'-N19 119.66 11.46 . 0.17 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.686 0 O4'-C1'-N19 111.313 3.113 . 0.01 5r . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.134 0 C5'-C4'-C3' 109.667 -3.888 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.286 3 O4'-C1'-N19 117.058 8.858 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 3 C3'-C2'-C1' 95.845 -6.284 . 0.203 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.304 3 C1'-O4'-C4' 102.657 -7.714 . 0.01 0b . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 1 C3'-C2'-C1' 105.278 4.198 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 2 O4'-C1'-N19 112.659 4.459 . 0.126 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.579 1 O4'-C1'-N19 114.477 6.277 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . 0.451 " H2'" ' C6 ' ' B' ' 39' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.09 3 C5'-C4'-C3' 108.148 -4.901 . 0.441 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . 0.451 ' C6 ' " H2'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.41 -3.579 3 C5'-C4'-O4' 119.139 7.099 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.278 4 P-O3'-C3' 130.245 8.787 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.835 2 O4'-C1'-N19 114.562 6.362 . 0.017 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.232 4 O4'-C1'-N19 112.742 4.542 . 0.713 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 2 O4'-C1'-N19 113.626 5.426 . 0.175 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.011 1 C3'-C2'-C1' 105.35 4.278 . 0.058 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.5 3 O5'-C5'-C4' 117.056 4.897 . 0.628 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 . . . . . 0 N--CA 1.447 -0.618 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.5 p -129.64 145.03 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-O 116.485 -1.722 . . . . 0.0 109.561 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.426 ' NH1' ' C6 ' ' B' ' 22' ' ' ' A' . 39.2 mtp180 -112.68 141.19 46.75 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 126.048 1.739 . . . . 0.0 110.768 170.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.7 m -110.18 148.95 30.83 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 125.562 1.789 . . . . 0.0 115.091 171.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -152.86 85.09 1.23 Allowed 'General case' 0 CA--C 1.53 0.192 0 O-C-N 119.08 -2.262 . . . . 0.0 114.028 -178.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.471 ' HE2' ' O2 ' ' B' ' 24' ' ' ' C' . 30.0 mttt 41.29 60.77 1.98 Allowed 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 127.167 3.365 . . . . 0.0 115.581 173.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.04 -27.26 11.08 Favored Glycine 0 CA--C 1.522 0.492 0 O-C-N 118.06 -2.9 . . . . 0.0 113.229 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -103.93 157.18 17.27 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 126.212 2.911 . . . . 0.0 106.622 -173.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -139.67 150.54 45.03 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 130.703 3.601 . . . . 0.0 111.399 170.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.7 tt -148.76 125.54 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 125.755 1.622 . . . . 0.0 108.804 -173.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.1 mtm-85 -71.37 137.91 48.77 Favored 'General case' 0 CA--C 1.514 -0.44 0 O-C-N 120.211 -1.556 . . . . 0.0 111.399 170.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 pt -119.52 64.99 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 O-C-N 118.571 -2.581 . . . . 0.0 109.411 170.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo . . . . . 0 N--CA 1.453 -0.897 1 C-N-CA 127.191 5.26 . . . . 0.0 115.636 175.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.653 2 O4'-C1'-N19 114.998 6.798 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.246 1 N19-C1'-C2' 104.488 -5.57 . 0.637 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.676 3 O5'-C5'-C4' 119.82 6.871 . 0.108 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 2 C5'-C4'-O4' 117.041 5.601 . 0.157 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.887 3 O4'-C1'-N19 115.409 7.209 . 0.07 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.426 ' C6 ' ' NH1' ' A' ' 3' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -2.978 3 C3'-C2'-C1' 106.5 5.556 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.03 2 C5'-C4'-O4' 101.915 -5.203 . 0.053 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . 0.471 ' O2 ' ' HE2' ' A' ' 6' ' ' LYS . . . . . . . . 0 O4'--C4' 1.413 -3.302 2 C5'-C4'-O4' 101.813 -5.276 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.413 3 C3'-C2'-C1' 108.378 7.643 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.548 3 C3'-C2'-C1' 97.315 -4.65 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.696 3 C3'-C2'-C1' 106.725 5.805 . 0.102 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.317 1 C4'-C3'-C2' 98.381 -4.319 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.328 2 C5'-C4'-O4' 116.905 5.503 . 0.63 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.744 1 O4'-C1'-N19 115.962 7.762 . 0.011 5r . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.76 1 P-O3'-C3' 127.253 6.294 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.131 1 O4'-C1'-N19 116.662 8.462 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.592 1 OP1-P-OP2 113.218 -4.255 . 0.0 OUTLIER '7D dist 4b' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 1 O5'-C5'-C4' 119.002 6.287 . 0.0 OUTLIER '7D dist 0b' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.349 1 O4'-C1'-N19 101.373 -6.827 . 0.019 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.309 3 C4'-C3'-C2' 95.319 -7.381 . 0.368 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.777 1 C5'-C4'-O4' 121.881 9.058 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.786 2 C5'-C4'-O4' 117.881 6.201 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.426 3 C4'-C3'-C2' 95.325 -7.375 . 0.177 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.46 6 C5'-C4'-C3' 106.363 -6.091 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.626 2 O4'-C1'-N19 117.922 9.722 . 0.06 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.732 1 C4'-C3'-C2' 97.604 -5.096 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.524 0 C5'-C4'-O4' 114.728 3.949 . 0.929 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.545 1 C5'-C4'-O4' 120.076 7.768 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.283 0 C3'-C2'-O2' 102.487 -3.728 . 0.034 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 . . . . . 0 N--CA 1.446 -0.649 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.8 t -142.88 149.75 18.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 O-C-N 119.229 -2.169 . . . . 0.0 109.301 176.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -138.1 171.02 15.03 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 126.999 2.12 . . . . 0.0 111.356 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.0 t -108.83 151.01 26.82 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 118.599 -2.563 . . . . 0.0 111.95 166.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -149.09 105.96 3.57 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 126.937 2.095 . . . . 0.0 114.06 177.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.252 25.4 mmtm 53.57 43.16 31.58 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 117.049 2.24 . . . . 0.0 117.049 -174.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.87 3.22 88.13 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 120.669 3.027 . . . . 0.0 120.669 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.9 mtt85 -106.87 141.5 37.99 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 128.025 2.53 . . . . 0.0 114.698 169.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.8 mtm-85 -75.45 119.3 19.33 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 123.155 1.455 . . . . 0.0 112.761 164.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.324 20.5 tt -109.86 135.35 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -81.13 162.3 23.73 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 167.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.0 pt -153.49 70.88 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 C-N-CA 128.248 2.619 . . . . 0.0 107.362 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo . . . . . 0 N--CA 1.447 -1.246 0 N-CA-C 121.141 3.477 . . . . 0.0 121.141 -177.646 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 2 C5'-C4'-O4' 115.834 4.738 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.909 2 O5'-C5'-C4' 118.334 5.81 . 0.272 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.46 3 O4'-C1'-N19 118.898 10.698 . 0.815 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.601 4 C4'-C3'-C2' 96.504 -6.196 . 0.231 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.097 3 O4'-C1'-N19 113.428 5.228 . 0.389 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 5 C4'-C3'-C2' 94.262 -8.438 . 0.366 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.03 2 C1'-O4'-C4' 115.21 6.233 . 0.01 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.597 2 C4'-C3'-C2' 97.741 -4.959 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.338 4 O4'-C1'-N19 114.747 6.547 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.363 3 O5'-C5'-C4' 117.422 5.159 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.313 3 C5'-C4'-O4' 119.244 7.174 . 0.473 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.461 3 C4'-C3'-C2' 95.784 -6.916 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.261 0 O4'-C1'-N19 104.36 -3.84 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.758 3 C3'-C2'-C1' 105.765 4.739 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 1 C5'-C4'-O4' 116.623 5.302 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 5 O4'-C1'-N19 115.462 7.262 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.198 3 O5'-C5'-C4' 121.013 7.723 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.24 3 C4'-C3'-C2' 96.541 -6.159 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.771 2 C3'-C2'-C1' 106.826 5.918 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O3'-P-O5' 96.8 -3.789 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.77 2 O4'-C1'-N19 113.673 5.473 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.977 3 C3'-C2'-C1' 108.05 7.278 . 0.269 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.234 2 P-O3'-C3' 125.613 4.928 . 0.398 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.403 " H2'" ' C6 ' ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.928 2 O4'-C1'-N19 119.324 11.124 . 0.575 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . 0.403 ' C6 ' " H2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.41 -3.593 3 C5'-C4'-O4' 119.49 7.35 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.682 4 C4'-C3'-C2' 96.299 -6.401 . 0.449 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.946 2 O4'-C1'-N19 114.35 6.15 . 0.221 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.197 2 C5'-C4'-O4' 115.983 4.845 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.891 0 O4'-C1'-N19 112.085 3.885 . 0.37 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 . . . . . 0 N--CA 1.443 -0.813 0 CA-C-O 125.799 2.714 . . . . 0.0 105.957 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.7 t -122.87 157.54 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 O-C-N 117.825 -3.047 . . . . 0.0 109.256 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -157.85 166.52 32.46 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 130.604 3.562 . . . . 0.0 111.368 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 t -113.3 137.12 51.97 Favored 'General case' 0 CA--C 1.515 -0.369 0 O-C-N 119.267 -2.146 . . . . 0.0 110.496 170.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.2 ttt-85 -136.31 118.8 15.83 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 130.426 3.49 . . . . 0.0 107.974 169.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt 50.85 41.17 26.35 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 128.783 2.833 . . . . 0.0 114.536 155.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.9 11.97 66.95 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 126.558 2.028 . . . . 0.0 117.601 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.5 mtt85 -136.65 144.41 43.99 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 127.255 2.385 . . . . 0.0 113.347 168.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.1 mtm-85 -88.05 100.45 12.94 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 128.502 2.721 . . . . 0.0 109.181 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.463 HD11 ' H41' ' B' ' 29' ' ' ' C' . 18.2 tt -85.38 152.22 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 O-C-N 126.554 2.409 . . . . 0.0 106.901 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -112.31 163.57 14.24 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 123.125 1.441 . . . . 0.0 112.838 174.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -143.56 81.44 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 O-C-N 119.305 -2.122 . . . . 0.0 105.765 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 N--CA 1.456 -0.727 0 C-N-CA 124.536 3.49 . . . . 0.0 112.133 -173.598 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.006 0 N19-C1'-C2' 107.784 -3.51 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.546 0 C4'-C3'-C2' 99.005 -3.695 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.57 4 C3'-C2'-C1' 107.349 6.499 . 0.142 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.122 0 O4'-C4'-C3' 100.737 -3.402 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.379 1 N19-C1'-C2' 106.488 -4.32 . 0.437 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.673 2 O4'-C1'-N19 115.738 7.538 . 0.502 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . 0.417 " H1'" " H5'" ' B' ' 25' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.404 -4.112 3 C3'-C2'-C1' 97.128 -4.858 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.986 1 C5'-C4'-C3' 108.846 -4.436 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . 0.417 " H5'" " H1'" ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.412 -3.442 2 O4'-C1'-N19 116.376 8.176 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.685 1 O4'-C1'-N19 114.037 5.837 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . 0.41 " H2'" " O4'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.407 -3.857 2 O3'-P-O5' 115.604 6.107 . 0.575 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . 0.41 " O4'" " H2'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.409 -3.637 3 O4'-C1'-N19 117.53 9.33 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.463 ' H41' HD11 ' A' ' 10' ' ' ILE . . . . . . . . 1 O4'--C4' 1.401 -4.317 3 C5'-C4'-O4' 121.581 8.844 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.552 2 C1'-O4'-C4' 114.637 5.596 . 0.421 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.006 1 O5'-C5'-C4' 118.289 5.778 . 0.082 3b . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.551 5 O4'-C1'-N19 113.538 5.338 . 0.01 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . 0.428 " H4'" ' C8 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.408 -3.777 1 C5'-C4'-O4' 101.493 -5.505 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.428 ' C8 ' " H4'" ' B' ' 33' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.411 -3.505 0 C5'-C4'-C3' 121.313 3.875 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.449 5 C3'-C2'-C1' 109.758 9.176 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.698 3 P-O3'-C3' 125.166 4.555 . 0.081 3a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.208 2 O4'-C1'-N19 115.653 7.453 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.869 4 C4'-C3'-C2' 94.672 -8.028 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.326 0 N19-C1'-C2' 107.494 -3.691 . 0.592 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.431 2 O4'-C1'-N19 115.358 7.158 . 0.011 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.452 1 O4'-C1'-N19 114.014 5.814 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.779 2 C1'-O4'-C4' 113.92 4.8 . 0.099 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.327 4 C5'-C4'-O4' 118.66 6.757 . 0.077 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.595 4 O4'-C1'-N19 118.484 10.284 . 0.132 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.845 1 O4'-C1'-N19 116.769 8.569 . 0.712 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.4 t -126.65 139.1 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 O-C-N 119.228 -2.17 . . . . 0.0 111.965 -177.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -119.82 175.13 6.03 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.329 1.852 . . . . 0.0 113.916 165.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 t -115.97 151.8 34.73 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 122.059 0.933 . . . . 0.0 111.709 159.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.1 ttt-85 -154.2 112.32 3.54 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 127.481 2.313 . . . . 0.0 113.6 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm 44.15 64.03 1.44 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 126.973 2.109 . . . . 0.0 113.545 174.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.32 3.2 61.04 Favored Glycine 0 C--O 1.219 -0.818 0 N-CA-C 122.685 3.834 . . . . 0.0 122.685 -175.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -120.24 149.09 42.83 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 118.386 -2.832 . . . . 0.0 112.874 176.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.9 mtm-85 -96.09 124.86 40.26 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 124.375 2.036 . . . . 0.0 112.683 165.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.0 tt -129.97 135.7 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-O 124.86 2.267 . . . . 0.0 109.002 -164.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -93.32 141.83 28.0 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 113.213 -1.812 . . . . 0.0 114.076 -172.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -113.83 86.0 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 C-N-CA 126.954 2.101 . . . . 0.0 107.242 156.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo . . . . . 0 N--CA 1.455 -0.748 0 C-N-CA 123.209 2.606 . . . . 0.0 114.109 172.507 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.722 1 C1'-O4'-C4' 105.069 -5.034 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.373 3 O4'-C1'-N19 117.076 8.876 . 0.727 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.917 3 O4'-C1'-N19 117.715 9.515 . 0.721 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.42 2 O4'-C1'-N19 113.418 5.218 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.833 3 O4'-C1'-N19 116.959 8.759 . 0.632 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.635 1 N19-C1'-C2' 105.921 -4.674 . 0.497 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.93 1 C1'-O4'-C4' 115.785 6.873 . 0.01 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.958 1 O4'-C1'-N19 114.103 5.903 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.495 2 C4'-C3'-C2' 97.981 -4.719 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.233 1 P-O3'-C3' 127.633 6.611 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.899 1 C1'-O4'-C4' 113.582 4.425 . 0.628 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.701 3 C3'-C2'-C1' 106.77 5.855 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.019 3 O4'-C1'-N19 115.655 7.455 . 0.112 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.454 3 N19-C1'-C2' 122.073 5.42 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.661 2 C3'-C2'-C1' 93.256 -9.16 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.636 3 O4'-C1'-N19 116.24 8.04 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.758 2 C5'-C4'-C3' 122.584 4.723 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.045 1 O5'-C5'-C4' 121.047 7.748 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.453 2 O5'-C5'-C4' 118.055 5.611 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.901 3 C5'-C4'-C3' 104.088 -7.608 . 0.138 3g . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.612 3 O4'-C1'-N19 118.344 10.144 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.793 3 C5'-C4'-O4' 117.943 6.245 . 0.223 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.713 0 C5'-C4'-C3' 111.121 -2.919 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.565 3 O4'-C1'-N19 116.314 8.114 . 0.046 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.404 1 C4'-C3'-C2' 96.46 -6.24 . 0.188 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.387 3 O4'-C1'-N19 120.256 12.056 . 0.421 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.523 3 C4'-C3'-C2' 95.492 -7.208 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C3'-C2'-C1' 104.655 3.506 . 0.089 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.328 5 C3'-C2'-C1' 107.095 6.217 . 0.049 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 118.55 2.796 . . . . 0.0 118.55 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 p -91.78 132.09 37.15 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 167.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 88.7 mmt-85 -144.32 -178.72 6.11 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 129.568 3.147 . . . . 0.0 109.652 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.7 m -151.26 113.06 4.46 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 129.351 3.061 . . . . 0.0 110.167 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -113.28 123.48 50.24 Favored 'General case' 0 N--CA 1.445 -0.71 1 C-N-CA 132.388 4.275 . . . . 0.0 108.007 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt 48.72 56.21 7.98 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 129.305 3.042 . . . . 0.0 116.761 -170.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.89 27.24 20.48 Favored Glycine 0 C--N 1.342 0.873 0 CA-C-O 115.034 -3.092 . . . . 0.0 114.709 -175.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -132.33 149.49 52.35 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 120.606 2.203 . . . . 0.0 115.178 165.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -72.95 113.26 9.79 Favored 'General case' 0 N--CA 1.443 -0.818 1 C-N-CA 132.381 4.272 . . . . 0.0 116.26 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.1 tt -129.99 145.41 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 -168.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -114.61 134.39 55.09 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 103.799 -2.667 . . . . 0.0 103.799 -173.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.6 mm . . . . . 0 N--CA 1.453 -0.318 0 CA-C-N 111.169 -2.741 . . . . 0.0 105.832 -169.383 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 . . . . . 0 N--CA 1.443 -0.777 0 CA-C-O 123.126 1.441 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 p -127.76 136.54 60.12 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 O-C-N 117.243 -3.411 . . . . 0.0 106.189 172.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 -132.72 -174.17 3.39 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 120.126 -1.609 . . . . 0.0 107.869 174.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.1 m -103.03 148.99 25.01 Favored 'General case' 0 CA--C 1.518 -0.253 0 O-C-N 117.886 -3.009 . . . . 0.0 110.071 161.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -130.64 87.72 2.53 Favored 'General case' 0 N--CA 1.45 -0.433 1 O-C-N 114.338 -5.226 . . . . 0.0 115.087 159.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.449 58.3 mttm 65.26 64.72 0.6 Allowed 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 126.189 2.181 . . . . 0.0 109.621 -173.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.23 -15.68 43.27 Favored Glycine 0 CA--C 1.525 0.692 0 O-C-N 118.512 -2.618 . . . . 0.0 116.559 174.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.357 10.0 ptm180 -118.56 145.93 44.98 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 118.333 1.066 . . . . 0.0 112.555 -169.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -73.52 133.67 43.66 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 116.964 -1.493 . . . . 0.0 107.991 -175.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.1 tt -138.68 127.09 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 119.95 1.25 . . . . 0.0 110.188 172.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -67.7 133.24 48.96 Favored 'General case' 0 N--CA 1.445 -0.693 0 O-C-N 127.207 2.817 . . . . 0.0 110.286 166.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.7 mm . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 100.954 -3.721 . . . . 0.0 100.954 -179.186 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 . . . . . 0 N--CA 1.442 -0.854 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.6 m -147.36 156.04 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 O-C-N 125.273 1.608 . . . . 0.0 112.828 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -149.49 -174.13 4.59 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.704 2.001 . . . . 0.0 113.949 -176.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 t -118.92 152.14 36.86 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.879 1.672 . . . . 0.0 112.461 176.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.7 ttt-85 -152.49 98.53 2.39 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 127.45 2.3 . . . . 0.0 110.853 165.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.318 22.5 mttm 50.55 68.09 0.82 Allowed 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 128.895 2.878 . . . . 0.0 113.155 171.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.94 -6.82 56.98 Favored Glycine 0 CA--C 1.528 0.851 1 CA-C-O 127.969 4.094 . . . . 0.0 116.268 167.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -138.91 145.95 40.5 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 117.928 -3.101 . . . . 0.0 107.657 -166.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -89.49 106.95 18.79 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 119.142 3.015 . . . . 0.0 119.142 170.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.458 HD13 HG21 ' A' ' 10' ' ' ILE . 10.2 tt -76.78 161.85 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 115.902 -1.999 . . . . 0.0 112.876 174.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 -124.3 143.0 50.81 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 126.622 2.451 . . . . 0.0 105.757 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.252 2.7 pt . . . . . 0 N--CA 1.452 -0.342 0 CA-C-N 112.945 -1.934 . . . . 0.0 109.484 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 . . . . . 0 N--CA 1.451 -0.409 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 m -128.26 148.92 32.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 174.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -135.4 176.89 8.26 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 126.841 2.588 . . . . 0.0 106.794 170.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.7 t -124.69 138.91 54.27 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 127.217 3.389 . . . . 0.0 112.805 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -130.99 98.28 4.55 Favored 'General case' 0 N--CA 1.447 -0.597 1 O-C-N 113.337 -5.852 . . . . 0.0 110.319 177.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 49.1 mttm 39.29 61.66 1.28 Allowed 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.181 1.792 . . . . 0.0 110.492 176.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.81 9.12 58.82 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-O 118.219 -1.323 . . . . 0.0 112.286 164.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.0 mtt85 -136.06 141.47 44.28 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 122.84 3.32 . . . . 0.0 111.632 169.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -88.94 103.99 16.54 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 127.131 2.173 . . . . 0.0 110.055 -175.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.6 tt -88.88 133.76 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 O-C-N 125.916 2.01 . . . . 0.0 111.875 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -86.76 144.87 26.87 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 129.43 3.092 . . . . 0.0 110.033 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 N--CA 1.441 -0.888 0 O-C-N 126.276 2.235 . . . . 0.0 108.102 170.702 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.291 29.9 mtp180 . . . . . 0 N--CA 1.445 -0.696 0 CA-C-O 122.533 1.158 . . . . 0.0 113.423 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.2 p -160.39 118.07 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 112.391 -2.186 . . . . 0.0 115.453 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -103.41 142.37 34.35 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 127.058 2.143 . . . . 0.0 112.161 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.5 m -110.92 141.06 44.85 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.979 2.111 . . . . 0.0 111.808 172.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -133.0 119.88 20.65 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 117.712 -3.118 . . . . 0.0 108.899 161.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.9 mttt 37.7 65.77 0.52 Allowed 'General case' 0 N--CA 1.453 -0.302 1 O-C-N 116.14 -4.1 . . . . 0.0 114.727 168.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.5 -2.52 10.65 Favored Glycine 0 C--N 1.343 0.971 0 N-CA-C 120.275 2.87 . . . . 0.0 120.275 -174.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -98.93 153.32 18.91 Favored 'General case' 0 N--CA 1.456 -0.152 1 CA-C-N 125.708 4.754 . . . . 0.0 114.273 157.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -135.68 136.71 41.13 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 123.38 1.562 . . . . 0.0 111.631 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.7 tt -128.76 117.02 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 1 O-C-N 115.952 -4.218 . . . . 0.0 114.45 -177.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.6 mtp-105 -77.15 143.81 38.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 124.405 2.05 . . . . 0.0 114.307 172.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.9 pt . . . . . 0 N--CA 1.444 -0.729 0 C-N-CA 128.737 2.815 . . . . 0.0 112.873 -176.034 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 . . . . . 0 CA--C 1.519 -0.233 0 CA-C-O 124.83 2.252 . . . . 0.0 112.969 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.2 p -147.37 146.28 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 1 O-C-N 114.397 -5.189 . . . . 0.0 109.76 176.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -125.71 148.26 49.1 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 127.078 2.151 . . . . 0.0 109.095 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.2 m -106.12 146.5 30.12 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 105.691 -1.966 . . . . 0.0 105.691 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -139.96 108.04 5.74 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 104.388 -2.449 . . . . 0.0 104.388 157.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.365 64.6 mttt 48.62 63.48 2.08 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 126.091 2.119 . . . . 0.0 112.525 156.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.19 -20.07 7.38 Favored Glycine 0 N--CA 1.441 -0.974 1 C-N-CA 131.107 4.194 . . . . 0.0 118.397 -176.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -87.86 154.87 20.19 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 118.254 -2.909 . . . . 0.0 111.929 170.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -138.16 160.73 38.65 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 127.548 3.03 . . . . 0.0 111.738 166.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.7 tt -154.93 129.47 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-O 118.386 -0.816 . . . . 0.0 109.748 -173.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -78.49 143.58 36.51 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 128.027 2.531 . . . . 0.0 112.744 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.271 4.9 pt . . . . . 0 C--N 1.328 -0.367 0 C-N-CA 128.372 2.669 . . . . 0.0 113.703 164.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 . . . . . 0 N--CA 1.447 -0.618 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.5 p -129.64 145.03 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-O 116.485 -1.722 . . . . 0.0 109.561 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -112.68 141.19 46.75 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 126.048 1.739 . . . . 0.0 110.768 170.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.7 m -110.18 148.95 30.83 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 125.562 1.789 . . . . 0.0 115.091 171.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -152.86 85.09 1.23 Allowed 'General case' 0 CA--C 1.53 0.192 0 O-C-N 119.08 -2.262 . . . . 0.0 114.028 -178.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.0 mttt 41.29 60.77 1.98 Allowed 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 127.167 3.365 . . . . 0.0 115.581 173.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.04 -27.26 11.08 Favored Glycine 0 CA--C 1.522 0.492 0 O-C-N 118.06 -2.9 . . . . 0.0 113.229 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -103.93 157.18 17.27 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 126.212 2.911 . . . . 0.0 106.622 -173.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -139.67 150.54 45.03 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 130.703 3.601 . . . . 0.0 111.399 170.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.7 tt -148.76 125.54 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 125.755 1.622 . . . . 0.0 108.804 -173.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.1 mtm-85 -71.37 137.91 48.77 Favored 'General case' 0 CA--C 1.514 -0.44 0 O-C-N 120.211 -1.556 . . . . 0.0 111.399 170.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 pt . . . . . 0 N--CA 1.45 -0.46 0 O-C-N 118.571 -2.581 . . . . 0.0 109.411 170.474 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 . . . . . 0 N--CA 1.446 -0.649 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.8 t -142.88 149.75 18.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 O-C-N 119.229 -2.169 . . . . 0.0 109.301 176.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -138.1 171.02 15.03 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 126.999 2.12 . . . . 0.0 111.356 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.0 t -108.83 151.01 26.82 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 118.599 -2.563 . . . . 0.0 111.95 166.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -149.09 105.96 3.57 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 126.937 2.095 . . . . 0.0 114.06 177.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.252 25.4 mmtm 53.57 43.16 31.58 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 117.049 2.24 . . . . 0.0 117.049 -174.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.87 3.22 88.13 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 120.669 3.027 . . . . 0.0 120.669 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.9 mtt85 -106.87 141.5 37.99 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 128.025 2.53 . . . . 0.0 114.698 169.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.8 mtm-85 -75.45 119.3 19.33 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 123.155 1.455 . . . . 0.0 112.761 164.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.324 20.5 tt -109.86 135.35 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -81.13 162.3 23.73 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 167.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.0 pt . . . . . 0 N--CA 1.447 -0.624 0 C-N-CA 128.248 2.619 . . . . 0.0 107.362 173.732 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 . . . . . 0 N--CA 1.443 -0.813 0 CA-C-O 125.799 2.714 . . . . 0.0 105.957 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.7 t -122.87 157.54 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 O-C-N 117.825 -3.047 . . . . 0.0 109.256 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -157.85 166.52 32.46 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 130.604 3.562 . . . . 0.0 111.368 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 t -113.3 137.12 51.97 Favored 'General case' 0 CA--C 1.515 -0.369 0 O-C-N 119.267 -2.146 . . . . 0.0 110.496 170.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.2 ttt-85 -136.31 118.8 15.83 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 130.426 3.49 . . . . 0.0 107.974 169.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt 50.85 41.17 26.35 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 128.783 2.833 . . . . 0.0 114.536 155.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.9 11.97 66.95 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 126.558 2.028 . . . . 0.0 117.601 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.5 mtt85 -136.65 144.41 43.99 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 127.255 2.385 . . . . 0.0 113.347 168.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.1 mtm-85 -88.05 100.45 12.94 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 128.502 2.721 . . . . 0.0 109.181 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.2 tt -85.38 152.22 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 O-C-N 126.554 2.409 . . . . 0.0 106.901 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -112.31 163.57 14.24 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 123.125 1.441 . . . . 0.0 112.838 174.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 O-C-N 119.305 -2.122 . . . . 0.0 105.765 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.4 t -126.65 139.1 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 O-C-N 119.228 -2.17 . . . . 0.0 111.965 -177.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -119.82 175.13 6.03 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.329 1.852 . . . . 0.0 113.916 165.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 t -115.97 151.8 34.73 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 122.059 0.933 . . . . 0.0 111.709 159.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.1 ttt-85 -154.2 112.32 3.54 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 127.481 2.313 . . . . 0.0 113.6 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm 44.15 64.03 1.44 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 126.973 2.109 . . . . 0.0 113.545 174.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.32 3.2 61.04 Favored Glycine 0 C--O 1.219 -0.818 0 N-CA-C 122.685 3.834 . . . . 0.0 122.685 -175.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -120.24 149.09 42.83 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 118.386 -2.832 . . . . 0.0 112.874 176.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.9 mtm-85 -96.09 124.86 40.26 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 124.375 2.036 . . . . 0.0 112.683 165.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.0 tt -129.97 135.7 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-O 124.86 2.267 . . . . 0.0 109.002 -164.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -93.32 141.83 28.0 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 113.213 -1.812 . . . . 0.0 114.076 -172.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.398 0 C-N-CA 126.954 2.101 . . . . 0.0 107.242 156.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 118.55 2.796 . . . . 0.0 118.55 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 p -91.78 132.09 37.15 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 167.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 88.7 mmt-85 -144.32 -178.72 6.11 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 129.568 3.147 . . . . 0.0 109.652 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.7 m -151.26 113.06 4.46 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 129.351 3.061 . . . . 0.0 110.167 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.437 ' HD3' ' C4 ' ' B' ' 23' ' ' ' U' . 11.6 ttp180 -113.28 123.48 50.24 Favored 'General case' 0 N--CA 1.445 -0.71 1 C-N-CA 132.388 4.275 . . . . 0.0 108.007 179.302 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt 48.72 56.21 7.98 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 129.305 3.042 . . . . 0.0 116.761 -170.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.89 27.24 20.48 Favored Glycine 0 C--N 1.342 0.873 0 CA-C-O 115.034 -3.092 . . . . 0.0 114.709 -175.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -132.33 149.49 52.35 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 120.606 2.203 . . . . 0.0 115.178 165.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -72.95 113.26 9.79 Favored 'General case' 0 N--CA 1.443 -0.818 1 C-N-CA 132.381 4.272 . . . . 0.0 116.26 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.1 tt -129.99 145.41 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 -168.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -114.61 134.39 55.09 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 103.799 -2.667 . . . . 0.0 103.799 -173.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.6 mm -125.49 80.46 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 111.169 -2.741 . . . . 0.0 105.832 -169.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 N--CA 1.449 -1.095 0 C-N-CA 123.714 2.942 . . . . 0.0 114.719 -179.666 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 2 C5'-C4'-O4' 122.666 9.619 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.296 4 C4'-C3'-C2' 94.759 -7.941 . 0.56 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.675 1 C5'-C4'-O4' 116.657 5.327 . 0.616 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.518 2 O4'-C1'-N19 113.423 5.223 . 0.2 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.432 0 C5'-C4'-C3' 120.997 3.665 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.632 1 O3'-P-O5' 95.026 -4.723 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . 0.437 ' C4 ' ' HD3' ' A' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.405 -3.969 1 O4'-C1'-N19 116.609 8.409 . 0.108 3b . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.368 0 C5'-C4'-C3' 110.814 -3.124 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.692 2 O4'-C1'-N19 117.149 8.949 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 5 O4'-C1'-N19 116.247 8.047 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.372 1 C5'-C4'-O4' 116.703 5.36 . 0.304 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.611 4 O5'-C5'-C4' 119.855 6.896 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.527 2 C3'-C2'-C1' 107.434 6.594 . 0.535 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.899 1 C4'-C3'-C2' 98.184 -4.516 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.387 3 O4'-C1'-N19 113.483 5.283 . 0.0 OUTLIER '7D dist 0b' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . 0.413 " H5'" ' N3 ' ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.228 4 P-O3'-C3' 129.062 7.802 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.587 3 C1'-O4'-C4' 116.85 8.055 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.555 2 C1'-O4'-C4' 102.731 -7.632 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.452 1 O5'-C5'-C4' 117.293 5.067 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.514 4 P-O3'-C3' 130.246 8.789 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.428 1 O4'-C4'-C3' 97.675 -5.589 . 0.891 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.59 1 C3'-C2'-C1' 95.046 -7.171 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.728 6 C4'-C3'-C2' 94.813 -7.887 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.686 0 C5'-C4'-O4' 114.455 3.754 . 0.204 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.572 2 C4'-C3'-C2' 94.551 -8.149 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.99 3 C4'-C3'-C2' 94.896 -7.804 . 0.096 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.479 2 O4'-C1'-N19 114.561 6.361 . 0.171 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.44 2 C1'-O4'-C4' 116.106 7.228 . 0.759 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.778 1 C1'-O4'-C4' 113.997 4.886 . 0.727 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 . . . . . 0 N--CA 1.443 -0.777 0 CA-C-O 123.126 1.441 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 p -127.76 136.54 60.12 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 O-C-N 117.243 -3.411 . . . . 0.0 106.189 172.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 -132.72 -174.17 3.39 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 120.126 -1.609 . . . . 0.0 107.869 174.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.1 m -103.03 148.99 25.01 Favored 'General case' 0 CA--C 1.518 -0.253 0 O-C-N 117.886 -3.009 . . . . 0.0 110.071 161.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -130.64 87.72 2.53 Favored 'General case' 0 N--CA 1.45 -0.433 1 O-C-N 114.338 -5.226 . . . . 0.0 115.087 159.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.449 58.3 mttm 65.26 64.72 0.6 Allowed 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 126.189 2.181 . . . . 0.0 109.621 -173.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.23 -15.68 43.27 Favored Glycine 0 CA--C 1.525 0.692 0 O-C-N 118.512 -2.618 . . . . 0.0 116.559 174.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.357 10.0 ptm180 -118.56 145.93 44.98 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 118.333 1.066 . . . . 0.0 112.555 -169.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -73.52 133.67 43.66 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 116.964 -1.493 . . . . 0.0 107.991 -175.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.1 tt -138.68 127.09 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 119.95 1.25 . . . . 0.0 110.188 172.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -67.7 133.24 48.96 Favored 'General case' 0 N--CA 1.445 -0.693 0 O-C-N 127.207 2.817 . . . . 0.0 110.286 166.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.7 mm -120.07 73.02 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 100.954 -3.721 . . . . 0.0 100.954 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo . . . . . 0 N--CA 1.448 -1.178 1 C-N-CA 129.42 6.747 . . . . 0.0 115.47 172.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.777 2 O4'-C1'-N19 116.266 8.066 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.414 2 C4'-C3'-C2' 98.205 -4.495 . 0.169 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 3 O4'-C1'-N19 117.295 9.095 . 0.695 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 2 O4'-C1'-N19 112.878 4.678 . 0.737 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 O4'-C1'-N19 110.928 2.728 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.425 4 O5'-C5'-C4' 118.818 6.156 . 0.043 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.816 3 C1'-O4'-C4' 104.472 -5.697 . 0.027 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.931 0 P-O5'-C5' 115.536 -3.353 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.23 3 C3'-C2'-C1' 112.11 11.789 . 0.01 6j . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.893 1 C4'-C3'-C2' 96.944 -5.756 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.208 0 N19-C1'-C2' 107.253 -3.842 . 0.52 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.758 1 O4'-C1'-N19 117.072 8.872 . 0.616 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 3 OP1-P-OP2 110.833 -5.845 . 0.451 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.427 " H4'" " H5'" ' B' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.41 -3.577 4 C4'-C3'-C2' 96.229 -6.471 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . 0.427 " H5'" " H4'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.408 -3.77 1 P-O3'-C3' 125.245 4.621 . 0.099 0b . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.55 3 C4'-C3'-C2' 96.504 -6.196 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.335 2 C3'-C2'-C1' 95.731 -6.41 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.444 2 O4'-C1'-N19 115.723 7.523 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.17 0 C1'-O4'-C4' 106.511 -3.432 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.344 4 C3'-C2'-C1' 108.497 7.774 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . 0.432 " H2'" ' C6 ' ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.411 -3.497 3 O4'-C1'-N19 114.456 6.256 . 0.078 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . 0.432 ' C6 ' " H2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.405 -3.975 3 O4'-C1'-N19 116.67 8.47 . 0.56 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.605 1 O3'-P-O5' 112.0 4.211 . 0.48 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.01 1 C3'-C2'-C1' 107.206 6.34 . 0.668 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 2 P-O3'-C3' 125.383 4.735 . 0.512 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.098 1 O4'-C1'-N19 114.334 6.134 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.285 2 C5'-C4'-O4' 121.566 8.833 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.886 1 N19-C1'-C2' 105.299 -5.063 . 0.364 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.099 4 C4'-C3'-C2' 93.713 -8.987 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 . . . . . 0 N--CA 1.442 -0.854 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.6 m -147.36 156.04 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 O-C-N 125.273 1.608 . . . . 0.0 112.828 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -149.49 -174.13 4.59 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.704 2.001 . . . . 0.0 113.949 -176.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.438 HG23 " H2'" ' B' ' 23' ' ' ' U' . 1.3 t -118.92 152.14 36.86 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.879 1.672 . . . . 0.0 112.461 176.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.7 ttt-85 -152.49 98.53 2.39 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 127.45 2.3 . . . . 0.0 110.853 165.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.318 22.5 mttm 50.55 68.09 0.82 Allowed 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 128.895 2.878 . . . . 0.0 113.155 171.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.94 -6.82 56.98 Favored Glycine 0 CA--C 1.528 0.851 1 CA-C-O 127.969 4.094 . . . . 0.0 116.268 167.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -138.91 145.95 40.5 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 117.928 -3.101 . . . . 0.0 107.657 -166.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.485 ' HB2' ' H21' ' B' ' 33' ' ' ' G' . 57.7 ttp180 -89.49 106.95 18.79 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 119.142 3.015 . . . . 0.0 119.142 170.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.458 HD13 HG21 ' A' ' 10' ' ' ILE . 10.2 tt -76.78 161.85 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 115.902 -1.999 . . . . 0.0 112.876 174.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 -124.3 143.0 50.81 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 126.622 2.451 . . . . 0.0 105.757 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.252 2.7 pt -140.61 75.78 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 112.945 -1.934 . . . . 0.0 109.484 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . 0.4 ' HD3' " H4'" ' B' ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo . . . . . 0 N--CA 1.446 -1.296 0 CA-C-O 116.7 -1.458 . . . . 0.0 114.574 175.934 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.599 1 C5'-C4'-O4' 119.679 7.485 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.718 2 C5'-C4'-O4' 117.809 6.149 . 0.128 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.933 2 O4'-C1'-N19 113.925 5.725 . 0.105 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.58 3 O5'-C5'-C4' 122.274 8.624 . 0.057 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.514 1 C5'-C4'-O4' 115.026 4.161 . 0.443 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.788 2 N19-C1'-C2' 106.105 -4.559 . 0.857 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . 0.438 " H2'" HG23 ' A' ' 4' ' ' THR . . . . . . . . 0 O4'--C4' 1.405 -3.991 5 O4'-C1'-N19 119.145 10.945 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.579 4 O4'-C1'-N19 113.944 5.744 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.735 4 O4'-C1'-N19 119.791 11.591 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . 0.533 " H4'" ' OP1' ' B' ' 26' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.192 1 O4'-C1'-N19 114.947 6.747 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 2 C4'-C3'-C2' 97.955 -4.745 . 0.439 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.962 2 O4'-C1'-N19 113.839 5.639 . 0.713 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.665 2 N19-C1'-C2' 103.434 -6.229 . 0.362 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.534 4 O4'-C1'-N19 115.625 7.425 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.842 3 O4'-C1'-N19 114.781 6.581 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . 0.52 " H4'" " H5'" ' B' ' 33' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.411 -3.52 5 C5'-C4'-C3' 101.672 -9.218 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . 0.52 " H5'" " H4'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.407 -3.834 6 C5'-C4'-C3' 108.461 -4.693 . 0.01 0b . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.051 1 O4'-C1'-N19 112.367 4.167 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . 0.4 " H4'" ' HD3' ' A' ' 13' ' ' DPR . . . . . . . . 0 O4'--C4' 1.414 -3.24 4 O4'-C1'-N19 118.577 10.377 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 O5'-C5'-C4' 104.632 -3.977 . 0.197 3g . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.506 4 O4'-C1'-N19 114.514 6.314 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.571 4 C5'-C4'-C3' 106.508 -5.994 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.873 3 O4'-C1'-N19 114.635 6.435 . 0.634 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.216 2 O4'-C1'-N19 113.85 5.65 . 0.824 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.995 1 O4'-C1'-N19 115.199 6.999 . 0.736 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.524 2 C4'-C3'-C2' 97.126 -5.574 . 0.45 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.415 1 O4'-C1'-N19 112.454 4.254 . 0.61 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 4 O4'-C1'-N19 115.408 7.208 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 4 O4'-C1'-N19 113.587 5.387 . 0.536 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 . . . . . 0 N--CA 1.451 -0.409 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 m -128.26 148.92 32.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 174.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -135.4 176.89 8.26 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 126.841 2.588 . . . . 0.0 106.794 170.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.7 t -124.69 138.91 54.27 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 127.217 3.389 . . . . 0.0 112.805 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -130.99 98.28 4.55 Favored 'General case' 0 N--CA 1.447 -0.597 1 O-C-N 113.337 -5.852 . . . . 0.0 110.319 177.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 49.1 mttm 39.29 61.66 1.28 Allowed 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.181 1.792 . . . . 0.0 110.492 176.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.81 9.12 58.82 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-O 118.219 -1.323 . . . . 0.0 112.286 164.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.0 mtt85 -136.06 141.47 44.28 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 122.84 3.32 . . . . 0.0 111.632 169.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -88.94 103.99 16.54 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 127.131 2.173 . . . . 0.0 110.055 -175.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.6 tt -88.88 133.76 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 O-C-N 125.916 2.01 . . . . 0.0 111.875 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -86.76 144.87 26.87 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 129.43 3.092 . . . . 0.0 110.033 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.9 pt -141.72 89.81 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.888 0 O-C-N 126.276 2.235 . . . . 0.0 108.102 170.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo . . . . . 0 N--CA 1.442 -1.504 0 O-C-N 126.209 2.689 . . . . 0.0 116.722 174.444 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.275 3 C3'-C2'-C1' 95.619 -6.535 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.613 0 C1'-O4'-C4' 106.39 -3.567 . 0.181 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.166 6 O4'-C1'-N19 113.808 5.608 . 0.495 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C1'-O4'-C4' 113.101 3.89 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.689 5 P-O3'-C3' 127.76 6.717 . 0.564 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.671 0 C1'-O4'-C4' 113.067 3.852 . 0.361 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.434 3 O4'-C1'-N19 116.911 8.711 . 0.0 OUTLIER '7D dist 3b' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 6 O4'-C1'-N19 117.513 9.313 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.446 4 C1'-O4'-C4' 101.238 -9.292 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.024 1 C4'-C3'-C2' 98.335 -4.365 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.901 4 C3'-C2'-C1' 107.232 6.369 . 0.889 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.702 5 C1'-O4'-C4' 104.031 -6.188 . 0.579 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.648 5 C4'-C3'-C2' 91.589 -11.111 . 0.579 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 3 C1'-O4'-C4' 103.699 -6.557 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . 0.444 " C5'" " H2'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.409 -3.695 3 O4'-C1'-N19 116.317 8.117 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . 0.492 ' C8 ' ' C6 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.405 -3.966 1 O3'-P-O5' 95.244 -4.608 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.994 2 O4'-C1'-N19 117.132 8.932 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.492 ' C6 ' ' C8 ' ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.406 -3.916 2 C1'-O4'-C4' 105.048 -5.058 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.609 3 C5'-C4'-O4' 117.329 5.807 . 0.172 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.449 3 C5'-C4'-O4' 117.765 6.118 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.794 5 C4'-C3'-C2' 92.733 -9.967 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.557 5 C4'-C3'-C2' 95.434 -7.266 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.486 1 O5'-C5'-C4' 116.234 4.31 . 0.633 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.581 2 C1'-O4'-C4' 114.718 5.687 . 0.692 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 2 C4'-C3'-C2' 97.077 -5.623 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.948 2 C5'-C4'-O4' 115.415 4.439 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.576 4 C3'-C2'-C1' 96.114 -5.984 . 0.405 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.81 6 C5'-C4'-O4' 120.334 7.953 . 0.144 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.52 2 O4'-C1'-N19 117.024 8.824 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.291 29.9 mtp180 . . . . . 0 N--CA 1.445 -0.696 0 CA-C-O 122.533 1.158 . . . . 0.0 113.423 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.2 p -160.39 118.07 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 112.391 -2.186 . . . . 0.0 115.453 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -103.41 142.37 34.35 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 127.058 2.143 . . . . 0.0 112.161 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.5 m -110.92 141.06 44.85 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.979 2.111 . . . . 0.0 111.808 172.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -133.0 119.88 20.65 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 117.712 -3.118 . . . . 0.0 108.899 161.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.9 mttt 37.7 65.77 0.52 Allowed 'General case' 0 N--CA 1.453 -0.302 1 O-C-N 116.14 -4.1 . . . . 0.0 114.727 168.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.5 -2.52 10.65 Favored Glycine 0 C--N 1.343 0.971 0 N-CA-C 120.275 2.87 . . . . 0.0 120.275 -174.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -98.93 153.32 18.91 Favored 'General case' 0 N--CA 1.456 -0.152 1 CA-C-N 125.708 4.754 . . . . 0.0 114.273 157.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -135.68 136.71 41.13 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 123.38 1.562 . . . . 0.0 111.631 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.454 HD12 ' C5 ' ' B' ' 34' ' ' ' G' . 8.7 tt -128.76 117.02 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 1 O-C-N 115.952 -4.218 . . . . 0.0 114.45 -177.219 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.6 mtp-105 -77.15 143.81 38.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 124.405 2.05 . . . . 0.0 114.307 172.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.9 pt -136.9 68.19 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 C-N-CA 128.737 2.815 . . . . 0.0 112.873 -176.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 N--CA 1.449 -1.129 0 C-N-CA 122.592 2.194 . . . . 0.0 111.581 -177.81 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.338 1 C5'-C4'-O4' 116.608 5.291 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.358 2 C5'-C4'-C3' 124.158 5.772 . 0.906 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.948 1 C5'-C4'-O4' 117.615 6.011 . 0.216 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . 0.424 ' C2 ' ' C2 ' ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.408 -3.791 4 OP1-P-OP2 112.07 -5.02 . 0.255 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 2 O5'-C5'-C4' 118.611 6.008 . 0.418 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.893 1 C5'-C4'-O4' 119.469 7.335 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.24 1 N19-C1'-C2' 100.836 -7.852 . 0.029 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 2 O5'-C5'-C4' 120.935 7.668 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.94 3 C3'-C2'-C1' 109.541 8.935 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.471 4 O4'-C1'-N19 113.888 5.688 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.365 2 C4'-C3'-C2' 97.675 -5.025 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.461 2 C5'-C4'-O4' 118.993 6.995 . 0.381 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.859 3 C1'-O4'-C4' 115.935 7.038 . 0.666 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.839 6 N19-C1'-C2' 105.215 -5.116 . 0.225 5r . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . 0.477 H5'' " H2'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.262 1 C5'-C4'-C3' 106.667 -5.888 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . 0.477 " H2'" H5'' ' B' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.41 -3.543 2 O4'-C1'-N19 116.647 8.447 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . 0.403 " H4'" " O5'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.216 3 O4'-C1'-N19 117.996 9.796 . 0.0 OUTLIER '7D dist 4b' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.454 ' C5 ' HD12 ' A' ' 10' ' ' ILE . . . . . . . . 0 O4'--C4' 1.406 -3.894 1 O4'-C1'-C2' 98.559 -5.6 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.732 1 O4'-C1'-N19 119.265 11.065 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.799 3 C4'-C3'-C2' 94.576 -8.124 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.418 4 C4'-C3'-C2' 94.379 -8.321 . 0.376 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.73 1 O5'-C5'-C4' 115.862 4.045 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.542 6 O4'-C1'-N19 116.446 8.246 . 0.354 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.435 2 O4'-C1'-N19 117.598 9.398 . 0.473 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.497 3 C4'-C3'-C2' 97.734 -4.966 . 0.319 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.107 4 O4'-C1'-N19 116.437 8.237 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . 0.424 ' C2 ' ' C2 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.41 -3.555 1 C4'-C3'-C2' 96.834 -5.866 . 0.477 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.18 3 C4'-C3'-C2' 97.141 -5.559 . 0.056 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.313 4 C4'-C3'-C2' 96.72 -5.98 . 0.161 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 . . . . . 0 CA--C 1.519 -0.233 0 CA-C-O 124.83 2.252 . . . . 0.0 112.969 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.2 p -147.37 146.28 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 1 O-C-N 114.397 -5.189 . . . . 0.0 109.76 176.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -125.71 148.26 49.1 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 127.078 2.151 . . . . 0.0 109.095 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.2 m -106.12 146.5 30.12 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 105.691 -1.966 . . . . 0.0 105.691 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -139.96 108.04 5.74 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 104.388 -2.449 . . . . 0.0 104.388 157.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.432 ' HE3' ' OP2' ' B' ' 27' ' ' ' A' 0.365 64.6 mttt 48.62 63.48 2.08 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 126.091 2.119 . . . . 0.0 112.525 156.802 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.19 -20.07 7.38 Favored Glycine 0 N--CA 1.441 -0.974 1 C-N-CA 131.107 4.194 . . . . 0.0 118.397 -176.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -87.86 154.87 20.19 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 118.254 -2.909 . . . . 0.0 111.929 170.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -138.16 160.73 38.65 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 127.548 3.03 . . . . 0.0 111.738 166.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.7 tt -154.93 129.47 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-O 118.386 -0.816 . . . . 0.0 109.748 -173.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -78.49 143.58 36.51 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 128.027 2.531 . . . . 0.0 112.744 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.271 4.9 pt -130.93 81.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 128.372 2.669 . . . . 0.0 113.703 164.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -1.101 0 CA-C-N 122.491 1.925 . . . . 0.0 107.412 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.705 2 C5'-C4'-O4' 102.693 -4.648 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.864 3 C4'-C3'-C2' 95.049 -7.651 . 0.262 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.476 7 C5'-C4'-O4' 124.04 10.6 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.634 3 C3'-C2'-C1' 95.511 -6.655 . 0.2 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.874 1 O3'-P-O5' 112.465 4.456 . 0.289 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.053 2 OP1-P-OP2 127.622 5.348 . 0.025 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 3 N19-C1'-C2' 102.012 -7.118 . 0.01 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.613 1 C5'-C4'-C3' 108.264 -4.824 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.602 2 O4'-C1'-N19 113.379 5.179 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . 0.426 ' N2 ' " H1'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.406 -3.916 1 O5'-C5'-C4' 117.764 5.403 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . 0.432 ' OP2' ' HE3' ' A' ' 6' ' ' LYS . . . . . . . . 0 O4'--C4' 1.41 -3.577 1 C4'-C3'-C2' 98.634 -4.066 . 0.021 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.702 2 P-O3'-C3' 125.959 5.216 . 0.873 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.585 7 O4'-C1'-N19 119.66 11.46 . 0.17 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.686 0 O4'-C1'-N19 111.313 3.113 . 0.01 5r . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.134 0 C5'-C4'-C3' 109.667 -3.888 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.286 3 O4'-C1'-N19 117.058 8.858 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 3 C3'-C2'-C1' 95.845 -6.284 . 0.203 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.304 3 C1'-O4'-C4' 102.657 -7.714 . 0.01 0b . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 1 C3'-C2'-C1' 105.278 4.198 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 2 O4'-C1'-N19 112.659 4.459 . 0.126 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.579 1 O4'-C1'-N19 114.477 6.277 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . 0.451 " H2'" ' C6 ' ' B' ' 39' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.09 3 C5'-C4'-C3' 108.148 -4.901 . 0.441 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . 0.451 ' C6 ' " H2'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.41 -3.579 3 C5'-C4'-O4' 119.139 7.099 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.278 4 P-O3'-C3' 130.245 8.787 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.835 2 O4'-C1'-N19 114.562 6.362 . 0.017 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.232 4 O4'-C1'-N19 112.742 4.542 . 0.713 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 2 O4'-C1'-N19 113.626 5.426 . 0.175 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.011 1 C3'-C2'-C1' 105.35 4.278 . 0.058 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.5 3 O5'-C5'-C4' 117.056 4.897 . 0.628 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 . . . . . 0 N--CA 1.447 -0.618 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.5 p -129.64 145.03 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-O 116.485 -1.722 . . . . 0.0 109.561 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.426 ' NH1' ' C6 ' ' B' ' 22' ' ' ' A' . 39.2 mtp180 -112.68 141.19 46.75 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 126.048 1.739 . . . . 0.0 110.768 170.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.7 m -110.18 148.95 30.83 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 125.562 1.789 . . . . 0.0 115.091 171.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -152.86 85.09 1.23 Allowed 'General case' 0 CA--C 1.53 0.192 0 O-C-N 119.08 -2.262 . . . . 0.0 114.028 -178.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.471 ' HE2' ' O2 ' ' B' ' 24' ' ' ' C' . 30.0 mttt 41.29 60.77 1.98 Allowed 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 127.167 3.365 . . . . 0.0 115.581 173.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.04 -27.26 11.08 Favored Glycine 0 CA--C 1.522 0.492 0 O-C-N 118.06 -2.9 . . . . 0.0 113.229 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -103.93 157.18 17.27 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 126.212 2.911 . . . . 0.0 106.622 -173.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -139.67 150.54 45.03 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 130.703 3.601 . . . . 0.0 111.399 170.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.7 tt -148.76 125.54 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 125.755 1.622 . . . . 0.0 108.804 -173.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.1 mtm-85 -71.37 137.91 48.77 Favored 'General case' 0 CA--C 1.514 -0.44 0 O-C-N 120.211 -1.556 . . . . 0.0 111.399 170.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 pt -119.52 64.99 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 O-C-N 118.571 -2.581 . . . . 0.0 109.411 170.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo . . . . . 0 N--CA 1.453 -0.897 1 C-N-CA 127.191 5.26 . . . . 0.0 115.636 175.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.653 2 O4'-C1'-N19 114.998 6.798 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.246 1 N19-C1'-C2' 104.488 -5.57 . 0.637 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.676 3 O5'-C5'-C4' 119.82 6.871 . 0.108 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 2 C5'-C4'-O4' 117.041 5.601 . 0.157 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.887 3 O4'-C1'-N19 115.409 7.209 . 0.07 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.426 ' C6 ' ' NH1' ' A' ' 3' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -2.978 3 C3'-C2'-C1' 106.5 5.556 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.03 2 C5'-C4'-O4' 101.915 -5.203 . 0.053 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . 0.471 ' O2 ' ' HE2' ' A' ' 6' ' ' LYS . . . . . . . . 0 O4'--C4' 1.413 -3.302 2 C5'-C4'-O4' 101.813 -5.276 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.413 3 C3'-C2'-C1' 108.378 7.643 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.548 3 C3'-C2'-C1' 97.315 -4.65 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.696 3 C3'-C2'-C1' 106.725 5.805 . 0.102 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.317 1 C4'-C3'-C2' 98.381 -4.319 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.328 2 C5'-C4'-O4' 116.905 5.503 . 0.63 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.744 1 O4'-C1'-N19 115.962 7.762 . 0.011 5r . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.76 1 P-O3'-C3' 127.253 6.294 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.131 1 O4'-C1'-N19 116.662 8.462 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.592 1 OP1-P-OP2 113.218 -4.255 . 0.0 OUTLIER '7D dist 4b' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 1 O5'-C5'-C4' 119.002 6.287 . 0.0 OUTLIER '7D dist 0b' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.349 1 O4'-C1'-N19 101.373 -6.827 . 0.019 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.309 3 C4'-C3'-C2' 95.319 -7.381 . 0.368 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.777 1 C5'-C4'-O4' 121.881 9.058 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.786 2 C5'-C4'-O4' 117.881 6.201 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.426 3 C4'-C3'-C2' 95.325 -7.375 . 0.177 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.46 6 C5'-C4'-C3' 106.363 -6.091 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.626 2 O4'-C1'-N19 117.922 9.722 . 0.06 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.732 1 C4'-C3'-C2' 97.604 -5.096 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.524 0 C5'-C4'-O4' 114.728 3.949 . 0.929 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.545 1 C5'-C4'-O4' 120.076 7.768 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.283 0 C3'-C2'-O2' 102.487 -3.728 . 0.034 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 . . . . . 0 N--CA 1.446 -0.649 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.8 t -142.88 149.75 18.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 O-C-N 119.229 -2.169 . . . . 0.0 109.301 176.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -138.1 171.02 15.03 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 126.999 2.12 . . . . 0.0 111.356 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.0 t -108.83 151.01 26.82 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 118.599 -2.563 . . . . 0.0 111.95 166.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -149.09 105.96 3.57 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 126.937 2.095 . . . . 0.0 114.06 177.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.252 25.4 mmtm 53.57 43.16 31.58 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 117.049 2.24 . . . . 0.0 117.049 -174.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.87 3.22 88.13 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 120.669 3.027 . . . . 0.0 120.669 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.9 mtt85 -106.87 141.5 37.99 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 128.025 2.53 . . . . 0.0 114.698 169.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.8 mtm-85 -75.45 119.3 19.33 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 123.155 1.455 . . . . 0.0 112.761 164.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.324 20.5 tt -109.86 135.35 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -81.13 162.3 23.73 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 167.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.0 pt -153.49 70.88 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 C-N-CA 128.248 2.619 . . . . 0.0 107.362 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo . . . . . 0 N--CA 1.447 -1.246 0 N-CA-C 121.141 3.477 . . . . 0.0 121.141 -177.646 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 2 C5'-C4'-O4' 115.834 4.738 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.909 2 O5'-C5'-C4' 118.334 5.81 . 0.272 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.46 3 O4'-C1'-N19 118.898 10.698 . 0.815 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.601 4 C4'-C3'-C2' 96.504 -6.196 . 0.231 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.097 3 O4'-C1'-N19 113.428 5.228 . 0.389 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 5 C4'-C3'-C2' 94.262 -8.438 . 0.366 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.03 2 C1'-O4'-C4' 115.21 6.233 . 0.01 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.597 2 C4'-C3'-C2' 97.741 -4.959 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.338 4 O4'-C1'-N19 114.747 6.547 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.363 3 O5'-C5'-C4' 117.422 5.159 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.313 3 C5'-C4'-O4' 119.244 7.174 . 0.473 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.461 3 C4'-C3'-C2' 95.784 -6.916 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.261 0 O4'-C1'-N19 104.36 -3.84 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.758 3 C3'-C2'-C1' 105.765 4.739 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 1 C5'-C4'-O4' 116.623 5.302 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 5 O4'-C1'-N19 115.462 7.262 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.198 3 O5'-C5'-C4' 121.013 7.723 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.24 3 C4'-C3'-C2' 96.541 -6.159 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.771 2 C3'-C2'-C1' 106.826 5.918 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O3'-P-O5' 96.8 -3.789 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.77 2 O4'-C1'-N19 113.673 5.473 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.977 3 C3'-C2'-C1' 108.05 7.278 . 0.269 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.234 2 P-O3'-C3' 125.613 4.928 . 0.398 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.403 " H2'" ' C6 ' ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.928 2 O4'-C1'-N19 119.324 11.124 . 0.575 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . 0.403 ' C6 ' " H2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.41 -3.593 3 C5'-C4'-O4' 119.49 7.35 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.682 4 C4'-C3'-C2' 96.299 -6.401 . 0.449 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.946 2 O4'-C1'-N19 114.35 6.15 . 0.221 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.197 2 C5'-C4'-O4' 115.983 4.845 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.891 0 O4'-C1'-N19 112.085 3.885 . 0.37 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 . . . . . 0 N--CA 1.443 -0.813 0 CA-C-O 125.799 2.714 . . . . 0.0 105.957 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.7 t -122.87 157.54 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 O-C-N 117.825 -3.047 . . . . 0.0 109.256 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -157.85 166.52 32.46 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 130.604 3.562 . . . . 0.0 111.368 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 t -113.3 137.12 51.97 Favored 'General case' 0 CA--C 1.515 -0.369 0 O-C-N 119.267 -2.146 . . . . 0.0 110.496 170.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.2 ttt-85 -136.31 118.8 15.83 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 130.426 3.49 . . . . 0.0 107.974 169.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt 50.85 41.17 26.35 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 128.783 2.833 . . . . 0.0 114.536 155.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.9 11.97 66.95 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 126.558 2.028 . . . . 0.0 117.601 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.5 mtt85 -136.65 144.41 43.99 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 127.255 2.385 . . . . 0.0 113.347 168.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.1 mtm-85 -88.05 100.45 12.94 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 128.502 2.721 . . . . 0.0 109.181 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.463 HD11 ' H41' ' B' ' 29' ' ' ' C' . 18.2 tt -85.38 152.22 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 O-C-N 126.554 2.409 . . . . 0.0 106.901 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -112.31 163.57 14.24 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 123.125 1.441 . . . . 0.0 112.838 174.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -143.56 81.44 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 O-C-N 119.305 -2.122 . . . . 0.0 105.765 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 N--CA 1.456 -0.727 0 C-N-CA 124.536 3.49 . . . . 0.0 112.133 -173.598 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.006 0 N19-C1'-C2' 107.784 -3.51 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.546 0 C4'-C3'-C2' 99.005 -3.695 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.57 4 C3'-C2'-C1' 107.349 6.499 . 0.142 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.122 0 O4'-C4'-C3' 100.737 -3.402 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.379 1 N19-C1'-C2' 106.488 -4.32 . 0.437 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.673 2 O4'-C1'-N19 115.738 7.538 . 0.502 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . 0.417 " H1'" " H5'" ' B' ' 25' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.404 -4.112 3 C3'-C2'-C1' 97.128 -4.858 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.986 1 C5'-C4'-C3' 108.846 -4.436 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . 0.417 " H5'" " H1'" ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.412 -3.442 2 O4'-C1'-N19 116.376 8.176 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.685 1 O4'-C1'-N19 114.037 5.837 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . 0.41 " H2'" " O4'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.407 -3.857 2 O3'-P-O5' 115.604 6.107 . 0.575 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . 0.41 " O4'" " H2'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.409 -3.637 3 O4'-C1'-N19 117.53 9.33 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.463 ' H41' HD11 ' A' ' 10' ' ' ILE . . . . . . . . 1 O4'--C4' 1.401 -4.317 3 C5'-C4'-O4' 121.581 8.844 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.552 2 C1'-O4'-C4' 114.637 5.596 . 0.421 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.006 1 O5'-C5'-C4' 118.289 5.778 . 0.082 3b . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.551 5 O4'-C1'-N19 113.538 5.338 . 0.01 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . 0.428 " H4'" ' C8 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.408 -3.777 1 C5'-C4'-O4' 101.493 -5.505 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.428 ' C8 ' " H4'" ' B' ' 33' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.411 -3.505 0 C5'-C4'-C3' 121.313 3.875 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.449 5 C3'-C2'-C1' 109.758 9.176 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.698 3 P-O3'-C3' 125.166 4.555 . 0.081 3a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.208 2 O4'-C1'-N19 115.653 7.453 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.869 4 C4'-C3'-C2' 94.672 -8.028 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.326 0 N19-C1'-C2' 107.494 -3.691 . 0.592 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.431 2 O4'-C1'-N19 115.358 7.158 . 0.011 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.452 1 O4'-C1'-N19 114.014 5.814 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.779 2 C1'-O4'-C4' 113.92 4.8 . 0.099 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.327 4 C5'-C4'-O4' 118.66 6.757 . 0.077 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.595 4 O4'-C1'-N19 118.484 10.284 . 0.132 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.845 1 O4'-C1'-N19 116.769 8.569 . 0.712 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.4 t -126.65 139.1 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 O-C-N 119.228 -2.17 . . . . 0.0 111.965 -177.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -119.82 175.13 6.03 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.329 1.852 . . . . 0.0 113.916 165.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 t -115.97 151.8 34.73 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 122.059 0.933 . . . . 0.0 111.709 159.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.1 ttt-85 -154.2 112.32 3.54 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 127.481 2.313 . . . . 0.0 113.6 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm 44.15 64.03 1.44 Allowed 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 126.973 2.109 . . . . 0.0 113.545 174.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.32 3.2 61.04 Favored Glycine 0 C--O 1.219 -0.818 0 N-CA-C 122.685 3.834 . . . . 0.0 122.685 -175.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -120.24 149.09 42.83 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 118.386 -2.832 . . . . 0.0 112.874 176.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.9 mtm-85 -96.09 124.86 40.26 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 124.375 2.036 . . . . 0.0 112.683 165.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.0 tt -129.97 135.7 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-O 124.86 2.267 . . . . 0.0 109.002 -164.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -93.32 141.83 28.0 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 113.213 -1.812 . . . . 0.0 114.076 -172.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -113.83 86.0 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 C-N-CA 126.954 2.101 . . . . 0.0 107.242 156.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo . . . . . 0 N--CA 1.455 -0.748 0 C-N-CA 123.209 2.606 . . . . 0.0 114.109 172.507 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.722 1 C1'-O4'-C4' 105.069 -5.034 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.373 3 O4'-C1'-N19 117.076 8.876 . 0.727 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.917 3 O4'-C1'-N19 117.715 9.515 . 0.721 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.42 2 O4'-C1'-N19 113.418 5.218 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.833 3 O4'-C1'-N19 116.959 8.759 . 0.632 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.635 1 N19-C1'-C2' 105.921 -4.674 . 0.497 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.93 1 C1'-O4'-C4' 115.785 6.873 . 0.01 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.958 1 O4'-C1'-N19 114.103 5.903 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.495 2 C4'-C3'-C2' 97.981 -4.719 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.233 1 P-O3'-C3' 127.633 6.611 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.899 1 C1'-O4'-C4' 113.582 4.425 . 0.628 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.701 3 C3'-C2'-C1' 106.77 5.855 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.019 3 O4'-C1'-N19 115.655 7.455 . 0.112 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.454 3 N19-C1'-C2' 122.073 5.42 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.661 2 C3'-C2'-C1' 93.256 -9.16 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.636 3 O4'-C1'-N19 116.24 8.04 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.758 2 C5'-C4'-C3' 122.584 4.723 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.045 1 O5'-C5'-C4' 121.047 7.748 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.453 2 O5'-C5'-C4' 118.055 5.611 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.901 3 C5'-C4'-C3' 104.088 -7.608 . 0.138 3g . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.612 3 O4'-C1'-N19 118.344 10.144 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.793 3 C5'-C4'-O4' 117.943 6.245 . 0.223 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.713 0 C5'-C4'-C3' 111.121 -2.919 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.565 3 O4'-C1'-N19 116.314 8.114 . 0.046 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.404 1 C4'-C3'-C2' 96.46 -6.24 . 0.188 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.387 3 O4'-C1'-N19 120.256 12.056 . 0.421 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.523 3 C4'-C3'-C2' 95.492 -7.208 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C3'-C2'-C1' 104.655 3.506 . 0.089 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.328 5 C3'-C2'-C1' 107.095 6.217 . 0.049 1a . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_