data_1exy_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 1exy _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 . . . . . 0 N--CA 1.449 -0.501 0 CA-C-O 116.2 -1.857 . . . . 0.0 111.555 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . 0.502 0.1 OUTLIER -60.64 126.3 84.71 Favored Pre-proline 0 C--N 1.393 2.486 0 CA-C-N 121.313 1.869 . . . . 0.0 109.997 -179.296 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -81.79 -177.04 3.33 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 O-C-N 124.631 1.858 . . . . 0.0 115.71 -169.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.3 106.42 1.35 Allowed 'General case' 0 CA--C 1.474 -1.956 1 C-N-CA 131.711 4.004 . . . . 0.0 105.35 -178.311 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -13.46 -49.06 0.0 OUTLIER 'General case' 0 N--CA 1.426 -1.674 1 C-N-CA 133.626 4.771 . . . . 0.0 116.309 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 52.7 m -42.71 -30.93 0.41 Allowed 'General case' 0 C--N 1.364 1.207 0 C-N-CA 130.209 3.404 . . . . 0.0 116.357 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -79.23 -44.56 21.56 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 130.81 3.644 . . . . 0.0 113.069 -177.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 . . . . . 0 N--CA 1.434 -1.239 0 C-N-CA 130.899 3.679 . . . . 0.0 107.377 -177.429 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . 0.329 0.0 OUTLIER . . . . . 0 C--O 1.236 0.342 0 CA-C-O 116.032 -1.937 . . . . 0.0 115.927 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . 0.553 HH21 ' CZ ' ' B' ' 113' ' ' ARG 0.593 0.8 OUTLIER -57.79 115.13 10.03 Favored Pre-proline 0 C--N 1.392 2.454 0 CA-C-N 121.894 2.134 . . . . 0.0 110.579 -179.36 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -68.83 170.16 16.06 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.328 2.019 . . . . 0.0 116.259 -173.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.75 112.09 1.69 Allowed 'General case' 0 CA--C 1.468 -2.182 0 C-N-CA 131.698 3.999 . . . . 0.0 107.706 -177.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -14.81 -52.86 0.0 OUTLIER 'General case' 0 N--CA 1.414 -2.24 1 C-N-CA 133.857 4.863 . . . . 0.0 116.532 -178.262 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 70.0 m -40.79 -35.7 0.53 Allowed 'General case' 0 C--N 1.364 1.21 0 C-N-CA 129.285 3.034 . . . . 0.0 115.509 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -48.79 16.79 Favored 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 130.526 3.531 . . . . 0.0 111.577 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.553 ' CZ ' HH21 ' B' ' 107' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.426 -1.666 0 C-N-CA 128.23 2.612 . . . . 0.0 108.61 -177.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . 0.39 0.1 OUTLIER . . . . . 0 C--O 1.238 0.461 0 CA-C-O 115.348 -2.263 . . . . 0.0 116.484 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . 0.559 0.0 OUTLIER -59.61 122.18 62.81 Favored Pre-proline 0 C--N 1.396 2.616 0 CA-C-N 122.669 2.486 . . . . 0.0 110.029 -179.256 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -78.49 179.63 6.31 Favored 'Trans proline' 0 C--N 1.351 0.666 0 N-CA-C 117.729 2.165 . . . . 0.0 117.729 -171.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.84 108.3 2.49 Favored 'General case' 0 CA--C 1.481 -1.684 1 C-N-CA 135.38 5.472 . . . . 0.0 103.558 179.611 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -20.45 -44.29 0.0 OUTLIER 'General case' 0 N--CA 1.416 -2.147 1 C-N-CA 132.156 4.182 . . . . 0.0 120.352 -175.421 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 69.2 m -46.0 -25.45 0.56 Allowed 'General case' 0 C--N 1.361 1.092 0 C-N-CA 129.627 3.171 . . . . 0.0 115.863 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -85.93 -51.73 6.18 Favored 'General case' 0 N--CA 1.433 -1.316 0 C-N-CA 130.289 3.436 . . . . 0.0 110.404 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . 0.258 2.7 ptt180 . . . . . 0 N--CA 1.426 -1.66 0 C-N-CA 126.817 2.047 . . . . 0.0 109.064 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 . . . . . 0 C--O 1.237 0.414 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . 0.579 0.0 OUTLIER -54.04 124.25 44.15 Favored Pre-proline 0 C--N 1.388 2.271 0 CA-C-N 121.454 1.934 . . . . 0.0 112.476 -177.798 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -75.0 179.8 5.73 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 122.243 1.962 . . . . 0.0 116.881 -173.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.7 104.92 1.13 Allowed 'General case' 0 CA--C 1.47 -2.124 1 C-N-CA 131.789 4.036 . . . . 0.0 106.56 -177.857 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' ARG . . . . . 0.497 HH21 ' HB2' ' B' ' 113' ' ' ARG . 4.8 tpm_? -12.39 -52.87 0.0 OUTLIER 'General case' 0 N--CA 1.418 -2.047 1 C-N-CA 132.609 4.364 . . . . 0.0 117.478 -178.313 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 60.9 m -43.19 -30.6 0.49 Allowed 'General case' 0 C--N 1.366 1.286 0 C-N-CA 129.67 3.188 . . . . 0.0 116.338 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -76.84 -49.48 15.67 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 130.981 3.712 . . . . 0.0 110.647 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.497 ' HB2' HH21 ' B' ' 110' ' ' ARG . 3.9 mtm180 . . . . . 0 N--CA 1.428 -1.569 0 C-N-CA 129.671 3.188 . . . . 0.0 106.515 -177.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . 0.311 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . 0.524 0.0 OUTLIER -59.13 120.71 49.78 Favored Pre-proline 0 C--N 1.389 2.295 0 CA-C-N 121.225 1.83 . . . . 0.0 109.72 -179.129 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -73.17 173.57 13.47 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.608 2.205 . . . . 0.0 116.447 -171.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.26 101.75 0.09 Allowed 'General case' 0 CA--C 1.468 -2.2 1 C-N-CA 131.846 4.058 . . . . 0.0 105.356 -178.376 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -10.69 -56.69 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.495 1 C-N-CA 133.151 4.581 . . . . 0.0 115.7 -176.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 33.4 m -33.62 -38.75 0.05 Allowed 'General case' 0 C--N 1.358 0.958 0 C-N-CA 128.966 2.906 . . . . 0.0 117.53 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.83 -41.8 78.07 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 131.375 3.87 . . . . 0.0 115.975 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . 0.448 4.8 ptt180 . . . . . 0 N--CA 1.426 -1.647 0 N-CA-C 119.05 2.981 . . . . 0.0 119.05 -169.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 . . . . . 0 C--O 1.235 0.301 0 CA-C-O 115.841 -2.028 . . . . 0.0 115.196 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . 0.621 0.1 OUTLIER -52.15 116.84 9.04 Favored Pre-proline 0 C--N 1.397 2.655 0 CA-C-N 121.906 2.139 . . . . 0.0 111.874 -176.834 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -69.3 174.5 9.02 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.035 1.823 . . . . 0.0 115.322 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.22 110.18 1.33 Allowed 'General case' 0 CA--C 1.468 -2.19 0 C-N-CA 131.485 3.914 . . . . 0.0 107.481 -177.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' ARG . . . . . 0.474 ' C ' ' HE ' ' B' ' 110' ' ' ARG . 0.0 OUTLIER -8.57 -60.4 0.0 OUTLIER 'General case' 0 N--CA 1.412 -2.349 1 C-N-CA 133.964 4.906 . . . . 0.0 115.637 -178.546 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 47.4 m -35.76 -39.53 0.15 Allowed 'General case' 0 C--N 1.363 1.184 0 C-N-CA 130.76 3.624 . . . . 0.0 116.694 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -26.03 40.97 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 131.43 3.892 . . . . 0.0 117.428 -177.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 . . . . . 0 N--CA 1.423 -1.811 0 C-N-CA 126.346 1.858 . . . . 0.0 111.903 -169.735 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 . . . . . 0 CA--C 1.507 -0.693 0 CA-C-O 116.088 -1.91 . . . . 0.0 113.108 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . 0.437 ' HE ' ' CZ ' ' B' ' 113' ' ' ARG 0.536 0.0 OUTLIER -61.22 116.76 21.05 Favored Pre-proline 0 C--N 1.392 2.451 0 CA-C-N 121.004 1.729 . . . . 0.0 108.901 -178.771 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -75.3 179.33 6.26 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.461 2.108 . . . . 0.0 117.445 -170.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.13 106.29 0.83 Allowed 'General case' 0 CA--C 1.48 -1.721 1 C-N-CA 133.458 4.703 . . . . 0.0 103.712 179.096 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -18.32 -43.98 0.0 OUTLIER 'General case' 0 N--CA 1.415 -2.224 1 C-N-CA 132.598 4.359 . . . . 0.0 120.469 -175.29 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 67.5 m -44.83 -25.63 0.32 Allowed 'General case' 0 C--N 1.36 1.042 0 C-N-CA 129.73 3.212 . . . . 0.0 116.117 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -84.38 -54.23 4.92 Favored 'General case' 0 N--CA 1.429 -1.523 0 C-N-CA 130.908 3.683 . . . . 0.0 110.246 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.437 ' CZ ' ' HE ' ' B' ' 107' ' ' ARG 0.275 6.3 ptt180 . . . . . 0 N--CA 1.422 -1.833 0 CA-C-O 124.979 2.323 . . . . 0.0 109.729 -178.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . 0.258 21.8 mmm180 . . . . . 0 C--O 1.235 0.325 0 CA-C-O 116.106 -1.902 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . 0.605 0.0 OUTLIER -35.26 122.71 0.61 Allowed Pre-proline 0 C--N 1.392 2.455 0 N-CA-C 116.686 2.106 . . . . 0.0 116.686 -177.197 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -71.02 174.34 10.74 Favored 'Trans proline' 0 C--N 1.364 1.379 0 O-C-N 124.709 1.899 . . . . 0.0 114.749 -174.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.07 106.26 1.02 Allowed 'General case' 0 CA--C 1.464 -2.342 1 C-N-CA 132.936 4.494 . . . . 0.0 106.016 -176.378 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' ARG . . . . . 0.517 ' C ' ' HE ' ' B' ' 110' ' ' ARG . 0.7 OUTLIER -9.21 -60.54 0.0 OUTLIER 'General case' 0 N--CA 1.406 -2.669 1 C-N-CA 133.344 4.658 . . . . 0.0 115.879 -178.977 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 69.8 m -40.69 -35.9 0.54 Allowed 'General case' 0 C--N 1.361 1.098 0 N-CA-C 117.8 2.518 . . . . 0.0 117.8 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -32.03 68.32 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 129.081 2.952 . . . . 0.0 115.024 -178.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . 0.26 11.3 mtm180 . . . . . 0 N--CA 1.425 -1.706 0 C-N-CA 127.792 2.437 . . . . 0.0 113.571 -170.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 . . . . . 0 N--CA 1.446 -0.673 0 CA-C-O 115.718 -2.087 . . . . 0.0 113.896 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . 0.609 0.3 OUTLIER -53.28 123.74 36.46 Favored Pre-proline 0 C--N 1.395 2.582 0 CA-C-N 121.99 2.177 . . . . 0.0 113.234 -176.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -74.34 176.68 9.32 Favored 'Trans proline' 0 C--N 1.358 1.053 0 O-C-N 124.325 1.697 . . . . 0.0 116.142 -174.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 103.28 0.59 Allowed 'General case' 0 CA--C 1.465 -2.291 1 C-N-CA 135.625 5.57 . . . . 0.0 105.461 -176.586 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' ARG . . . . . 0.54 HH21 ' HB2' ' B' ' 113' ' ' ARG . 3.8 tpm_? -15.69 -50.4 0.0 OUTLIER 'General case' 0 N--CA 1.421 -1.879 1 C-N-CA 131.859 4.064 . . . . 0.0 117.108 -177.532 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 49.8 m -42.54 -30.76 0.38 Allowed 'General case' 0 C--N 1.364 1.222 0 C-N-CA 130.041 3.336 . . . . 0.0 116.031 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.22 -52.01 8.25 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 131.112 3.765 . . . . 0.0 109.939 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.54 ' HB2' HH21 ' B' ' 110' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.425 -1.716 0 C-N-CA 129.172 2.989 . . . . 0.0 107.187 -177.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . 0.463 12.9 mmm180 . . . . . 0 C--O 1.24 0.554 0 CA-C-O 114.473 -2.68 . . . . 0.0 116.079 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . 0.711 0.3 OUTLIER -62.58 117.41 31.1 Favored Pre-proline 0 C--N 1.399 2.746 0 CA-C-N 123.512 2.869 . . . . 0.0 110.761 178.716 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -67.67 173.75 8.53 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.265 2.643 . . . . 0.0 115.276 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 128.92 37.97 Favored 'General case' 0 CA--C 1.473 -1.987 1 C-N-CA 133.147 4.579 . . . . 0.0 107.711 -176.632 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -27.29 -50.41 0.05 Allowed 'General case' 0 N--CA 1.424 -1.747 0 C-N-CA 129.694 3.198 . . . . 0.0 118.415 -176.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 51.1 m -48.82 -26.44 2.4 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 130.253 3.421 . . . . 0.0 117.912 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . 0.279 3.3 pm0 -87.94 -36.71 16.95 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 126.413 1.885 . . . . 0.0 113.661 -177.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 . . . . . 0 N--CA 1.438 -1.033 0 C-N-CA 130.871 3.668 . . . . 0.0 108.281 -177.489 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 . . . . . 0 N--CA 1.445 -0.693 0 CA-C-O 115.831 -2.033 . . . . 0.0 113.993 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . 0.423 ' HA ' ' HD3' ' B' ' 108' ' ' PRO 0.668 0.0 OUTLIER -50.77 114.43 4.68 Favored Pre-proline 0 C--N 1.397 2.662 0 CA-C-N 120.93 1.695 . . . . 0.0 112.009 -176.02 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 107' ' ' ARG . 1.2 Cg_endo -70.46 178.54 4.89 Favored 'Trans proline' 0 C--N 1.351 0.707 0 O-C-N 125.322 2.222 . . . . 0.0 115.081 -174.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.36 106.67 0.94 Allowed 'General case' 0 CA--C 1.467 -2.238 1 C-N-CA 134.774 5.23 . . . . 0.0 105.396 -176.722 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' ARG . . . . . 0.451 ' C ' ' HE ' ' B' ' 110' ' ' ARG . 2.2 tpm_? -11.66 -61.28 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.505 1 C-N-CA 132.306 4.242 . . . . 0.0 116.062 -177.877 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 59.6 m -38.59 -37.23 0.3 Allowed 'General case' 0 C--N 1.365 1.267 0 C-N-CA 128.026 2.53 . . . . 0.0 117.723 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -26.25 57.7 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 129.719 3.208 . . . . 0.0 116.35 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 . . . . . 0 N--CA 1.42 -1.964 0 C-N-CA 126.204 1.802 . . . . 0.0 111.503 -169.416 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.579 ' CD ' ' H ' ' B' ' 107' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.866 0 CA-C-O 118.813 -0.613 . . . . 0.0 112.539 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . 0.579 ' H ' ' CD ' ' B' ' 106' ' ' ARG 0.433 0.0 OUTLIER -57.37 115.21 10.0 Favored Pre-proline 0 C--N 1.386 2.192 0 C-N-CA 131.493 3.917 . . . . 0.0 107.798 -177.222 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -68.42 -179.09 2.12 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 O-C-N 124.722 1.906 . . . . 0.0 114.468 -175.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.89 102.87 1.33 Allowed 'General case' 0 CA--C 1.477 -1.858 1 C-N-CA 135.478 5.511 . . . . 0.0 102.872 -177.443 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -10.53 -48.2 0.0 OUTLIER 'General case' 0 N--CA 1.419 -2.005 1 C-N-CA 133.333 4.653 . . . . 0.0 118.821 -176.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 49.5 m -41.35 -28.38 0.11 Allowed 'General case' 0 C--N 1.366 1.314 0 C-N-CA 130.473 3.509 . . . . 0.0 115.948 176.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.0 -60.58 2.2 Favored 'General case' 0 N--CA 1.43 -1.445 1 C-N-CA 133.7 4.8 . . . . 0.0 110.832 -179.63 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 . . . . . 0 N--CA 1.43 -1.47 1 C-N-CA 132.335 4.254 . . . . 0.0 109.785 -172.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.925 0 C1'-O4'-C4' 110.791 1.324 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.445 2.621 1 O4'-C1'-N19 113.336 5.136 . 0.731 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . 0.434 " H2'" ' C6 ' ' A' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.446 2.657 1 N19-C1'-C2' 121.914 5.322 . 0.799 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.434 ' C6 ' " H2'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.454 3.356 1 O4'-C1'-N19 113.836 5.636 OUTLIER-EPSILON 0.422 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . 0.454 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 P--O3' 1.567 -3.339 2 P-O3'-C3' 136.632 14.11 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.79 1 O4'-C1'-N19 112.582 4.382 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.818 3 P-O3'-C3' 125.31 4.675 . 0.365 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.946 1 O4'-C1'-N19 113.314 5.114 . 0.732 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.566 4.276 0 O4'-C1'-N19 111.571 3.371 . 0.644 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.592 -1.274 2 C5'-C4'-C3' 122.119 4.413 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.466 ' C5 ' ' C4 ' ' A' ' 12' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.557 3.62 0 O4'-C1'-N19 111.411 3.211 . 0.589 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ' C' . . . . . 0.466 ' C4 ' ' C5 ' ' A' ' 11' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.452 3.141 1 O4'-C1'-N19 114.949 6.749 . 0.647 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.342 0 C5'-C4'-O4' 113.598 3.141 . 0.87 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.613 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.551 2.352 0 N19-C1'-C2' 119.752 3.97 OUTLIER-EPSILON 0.104 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.613 ' C8 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 1 C2'--C1' 1.586 5.833 4 P-O3'-C3' 134.392 12.243 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . 0.414 ' N3 ' ' C2 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.707 2 P-O3'-C3' 130.778 9.232 . 0.065 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . 0.54 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.565 4.243 0 C5'-C4'-C3' 110.647 -3.235 OUTLIER-DELTA 0.104 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ' U' . . . . . 0.54 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.56 3.873 2 P-O3'-C3' 126.126 5.355 . 0.037 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ' A' . . . . . 0.521 ' C5 ' ' C5 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.544 2.607 1 N19-C1'-C2' 121.379 4.987 . 0.244 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . 0.521 ' C5 ' ' C5 ' ' A' ' 19' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.707 2 P-O3'-C3' 131.676 9.98 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ' G' . . . . . 0.565 " H4'" HH11 ' B' ' 107' ' ' ARG . . . . . . . . 0 C2'--C1' 1.499 -2.882 3 O5'-C5'-C4' 121.743 8.245 . 0.015 7p . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.756 1 C1'-O4'-C4' 105.867 -4.147 . 0.02 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.558 3.698 1 O4'-C1'-N19 113.16 4.96 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.515 1 P-O3'-C3' 135.55 13.209 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.534 2 O4'-C1'-N19 112.973 4.773 . 0.075 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.941 2 O4'-C1'-N19 114.973 6.773 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ' A' . . . . . 0.485 " H3'" ' C5 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.551 3.153 1 P-O3'-C3' 127.556 6.547 . 0.01 0a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.485 ' C5 ' " H3'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.557 3.585 1 O4'-C1'-N19 113.584 5.384 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.056 0 N19-C1'-C2' 117.705 2.691 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.569 0 O4'-C1'-N19 111.706 3.506 . 0.498 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.052 0 O4'-C1'-N19 111.85 3.65 . 0.553 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.638 0 P-O3'-C3' 123.426 3.105 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.844 0 C5'-C4'-O4' 113.32 2.943 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 57.2 ttm . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -66.91 175.15 5.78 Favored 'Trans proline' 0 C--N 1.371 1.738 0 C-N-CA 121.256 1.304 . . . . 0.0 113.761 178.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -59.98 144.84 48.16 Favored 'General case' 0 C--N 1.37 1.496 0 C-N-CA 126.977 2.111 . . . . 0.0 111.522 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . 0.325 6.2 t -83.35 128.27 34.37 Favored 'General case' 0 C--N 1.367 1.356 0 CA-C-O 123.348 1.547 . . . . 0.0 110.021 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -108.32 170.97 7.68 Favored 'General case' 0 N--CA 1.434 -1.232 0 C-N-CA 130.68 3.592 . . . . 0.0 113.313 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.402 ' HE ' " H5'" ' A' ' 19' ' ' ' A' . 22.1 tpp180 -124.33 -69.8 0.79 Allowed 'General case' 0 C--N 1.373 1.611 0 CA-C-O 116.2 -1.857 . . . . 0.0 111.555 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.565 HH11 " H4'" ' A' ' 21' ' ' ' G' 0.502 0.1 OUTLIER -60.64 126.3 84.71 Favored Pre-proline 0 C--N 1.393 2.486 0 CA-C-N 121.313 1.869 . . . . 0.0 109.997 -179.296 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -81.79 -177.04 3.33 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 O-C-N 124.631 1.858 . . . . 0.0 115.71 -169.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.454 ' CZ ' ' C8 ' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -65.3 106.42 1.35 Allowed 'General case' 0 CA--C 1.474 -1.956 1 C-N-CA 131.711 4.004 . . . . 0.0 105.35 -178.311 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -13.46 -49.06 0.0 OUTLIER 'General case' 0 N--CA 1.426 -1.674 1 C-N-CA 133.626 4.771 . . . . 0.0 116.309 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 52.7 m -42.71 -30.93 0.41 Allowed 'General case' 0 C--N 1.364 1.207 0 C-N-CA 130.209 3.404 . . . . 0.0 116.357 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -79.23 -44.56 21.56 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 130.81 3.644 . . . . 0.0 113.069 -177.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -68.12 96.72 0.65 Allowed 'General case' 0 N--CA 1.434 -1.239 0 C-N-CA 130.899 3.679 . . . . 0.0 107.377 -177.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . 0.341 5.9 ttpm? -94.3 -99.71 0.15 Allowed 'General case' 0 N--CA 1.421 -1.882 0 C-N-CA 130.742 3.617 . . . . 0.0 106.126 -176.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -63.33 120.46 62.18 Favored Pre-proline 0 CA--C 1.54 0.59 0 C-N-CA 130.373 3.469 . . . . 0.0 110.089 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo . . . . . 0 C--N 1.371 1.711 0 CA-C-O 117.327 -1.197 . . . . 0.0 110.779 178.085 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.195 0 C4'-C3'-C2' 104.237 1.537 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.41 " H2'" ' C8 ' ' A' ' 3' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.549 3.029 1 O4'-C1'-N19 113.175 4.975 . 0.507 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . 0.418 " H2'" ' C6 ' ' A' ' 4' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.555 3.466 1 N19-C1'-C2' 121.724 5.202 . 0.805 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.418 ' C6 ' " H2'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.456 3.537 1 O4'-C1'-N19 113.64 5.44 OUTLIER-EPSILON 0.517 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . 0.47 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 P--O3' 1.569 -3.17 2 P-O3'-C3' 135.866 13.472 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.034 0 O4'-C1'-N19 112.066 3.866 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.71 2 C3'-C2'-C1' 106.259 5.287 . 0.288 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 0.472 ' C8 ' ' C5 ' ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.539 2.259 2 N19-C1'-C2' 121.275 4.922 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.472 ' C5 ' ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.555 3.463 0 O4'-C1'-C2' 101.826 -3.267 . 0.18 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ' U' . . . . . 0.412 " H2'" ' H8 ' ' A' ' 11' ' ' ' A' . . . . . . . . 0 P--O3' 1.592 -1.274 3 C5'-C4'-C3' 122.867 4.912 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.412 ' H8 ' " H2'" ' A' ' 10' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.56 3.841 0 O4'-C1'-N19 111.179 2.979 . 0.397 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.454 3.333 3 O4'-C1'-N19 114.959 6.759 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.058 0 P-O3'-C3' 123.398 3.082 . 0.92 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.613 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.551 2.335 1 C5'-C4'-C3' 121.601 4.067 OUTLIER-EPSILON 0.082 1g . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.613 ' C8 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 1 C2'--C1' 1.58 5.197 3 P-O3'-C3' 134.33 12.191 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . 0.419 ' N3 ' ' C2 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.669 1 P-O3'-C3' 129.34 8.034 . 0.136 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . 0.498 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.565 4.266 0 C5'-C4'-C3' 110.381 -3.412 OUTLIER-DELTA 0.079 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ' U' . . . . . 0.498 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.554 3.392 1 P-O3'-C3' 126.141 5.367 . 0.029 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.484 1 N19-C1'-C2' 125.48 7.55 . 0.065 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . 0.751 HO2' H5'' ' A' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.445 2.6 2 O4'-C1'-N19 112.818 4.618 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ' G' . . . . . 0.751 H5'' HO2' ' A' ' 20' ' ' ' C' . . . . . . . . 0 C2'--C1' 1.505 -2.349 3 O5'-C5'-C4' 120.487 7.348 . 0.01 7p . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.575 -2.653 0 N19-C1'-C2' 119.612 3.882 . 0.014 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.557 3.602 1 O4'-C1'-N19 112.338 4.138 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.815 1 P-O3'-C3' 125.957 5.214 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . 0.619 HO2' " H5'" ' A' ' 26' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.562 4.027 1 O4'-C1'-N19 112.313 4.113 OUTLIER-EPSILON 0.212 1t . 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ' U' . . . . . 0.619 " H5'" HO2' ' A' ' 25' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.546 2.801 2 P-O3'-C3' 137.526 14.855 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ' A' . . . . . 0.487 " H3'" ' C5 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.54 2.286 2 P-O3'-C3' 126.399 5.582 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.487 ' C5 ' " H3'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.559 3.77 1 O4'-C1'-N19 112.623 4.423 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.565 0 N19-C1'-C2' 118.889 3.43 . 0.298 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.484 1 P-O3'-C3' 124.535 4.029 . 0.055 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.935 1 O4'-C1'-N19 112.231 4.031 . 0.434 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.556 2.844 0 P-O3'-C3' 123.664 3.303 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.797 1 P-O3'-C3' 126.96 6.05 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 21.3 ptp . . . . . 0 N--CA 1.495 1.78 0 N-CA-C 114.128 1.159 . . . . 0.0 114.128 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -68.42 158.83 55.98 Favored 'Trans proline' 0 C--N 1.374 1.906 0 CA-C-N 119.836 0.977 . . . . 0.0 112.818 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -93.43 -32.98 14.01 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 127.124 2.17 . . . . 0.0 116.277 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 38.1 p -55.72 158.5 3.53 Favored 'General case' 0 N--CA 1.438 -1.033 1 C-N-CA 133.823 4.849 . . . . 0.0 115.33 -178.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 23.6 tpt85 -75.68 136.09 40.4 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 129.055 2.942 . . . . 0.0 110.314 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . 0.329 0.0 OUTLIER -84.55 -64.75 1.1 Allowed 'General case' 0 C--N 1.374 1.669 0 CA-C-O 116.032 -1.937 . . . . 0.0 115.927 -177.424 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.569 HH11 " H4'" ' A' ' 21' ' ' ' G' 0.593 0.8 OUTLIER -57.79 115.13 10.03 Favored Pre-proline 0 C--N 1.392 2.454 0 CA-C-N 121.894 2.134 . . . . 0.0 110.579 -179.36 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -68.83 170.16 16.06 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.328 2.019 . . . . 0.0 116.259 -173.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.47 ' CZ ' ' C8 ' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -59.75 112.09 1.69 Allowed 'General case' 0 CA--C 1.468 -2.182 0 C-N-CA 131.698 3.999 . . . . 0.0 107.706 -177.727 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -14.81 -52.86 0.0 OUTLIER 'General case' 0 N--CA 1.414 -2.24 1 C-N-CA 133.857 4.863 . . . . 0.0 116.532 -178.262 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 70.0 m -40.79 -35.7 0.53 Allowed 'General case' 0 C--N 1.364 1.21 0 C-N-CA 129.285 3.034 . . . . 0.0 115.509 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -48.79 16.79 Favored 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 130.526 3.531 . . . . 0.0 111.577 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.553 ' CZ ' HH21 ' B' ' 107' ' ' ARG . 0.5 OUTLIER -71.97 107.85 4.91 Favored 'General case' 0 N--CA 1.426 -1.666 0 C-N-CA 128.23 2.612 . . . . 0.0 108.61 -177.797 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -92.56 89.08 6.57 Favored 'General case' 0 N--CA 1.426 -1.668 0 N-CA-C 103.391 -2.818 . . . . 0.0 103.391 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -98.12 121.14 58.15 Favored Pre-proline 0 C--N 1.366 1.301 0 C-N-CA 127.082 2.153 . . . . 0.0 108.51 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo . . . . . 0 C--N 1.371 1.747 0 CA-C-O 117.309 -1.205 . . . . 0.0 112.395 178.298 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . 0.411 " H2'" ' C8 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.539 2.258 0 C5'-C4'-O4' 111.824 1.874 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.411 ' C8 ' " H2'" ' A' ' 1' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.547 2.839 0 O4'-C1'-N19 112.05 3.85 . 0.49 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . 0.469 " H2'" ' C6 ' ' A' ' 4' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.546 2.746 0 N19-C1'-C2' 119.617 3.886 OUTLIER-EPSILON 0.709 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.469 ' C6 ' " H2'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.548 2.907 2 P-O3'-C3' 134.687 12.49 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . 0.451 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 C5'--C4' 1.55 3.111 2 P-O3'-C3' 128.946 7.705 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ' C' . . . . . 0.662 HO2' ' H61' ' A' ' 27' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.548 2.922 1 O4'-C1'-N19 112.462 4.262 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.467 2 O4'-C1'-N19 113.015 4.815 . 0.505 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.598 2 O4'-C1'-N19 112.545 4.345 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.561 3.892 0 O4'-C1'-N19 111.916 3.716 . 0.378 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ' U' . . . . . 0.616 HO2' " H5'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C2'--O2' 1.429 1.246 3 C5'-C4'-C3' 122.745 4.83 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.616 " H5'" HO2' ' A' ' 10' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.556 3.522 0 N19-C1'-C2' 117.896 2.81 . 0.51 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.454 3.301 2 O4'-C1'-N19 114.969 6.769 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.428 0 P-O3'-C3' 123.718 3.348 . 0.929 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.625 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.548 2.1 2 N19-C1'-C2' 121.354 4.971 . 0.075 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.625 ' C8 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 1 C2'--C1' 1.572 4.405 3 O4'-C1'-N19 99.281 -8.919 . 0.0 OUTLIER '7D dist 7r' 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . 0.438 ' C8 ' ' C8 ' ' A' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.546 2.742 1 P-O3'-C3' 129.417 8.097 . 0.061 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . 0.592 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.579 5.316 1 O5'-C5'-C4' 119.082 6.344 . 0.318 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ' U' . . . . . 0.592 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.562 4.01 1 P-O3'-C3' 128.336 7.197 . 0.416 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ' A' . . . . . 0.424 ' C5 ' ' C5 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.673 1 N19-C1'-C2' 122.017 5.386 . 0.387 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . 0.786 HO2' H5'' ' A' ' 21' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.554 3.369 1 O4'-C1'-N19 115.35 7.15 . 0.228 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ' G' . . . . . 0.786 H5'' HO2' ' A' ' 20' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.546 2.737 2 O5'-C5'-C4' 120.881 7.629 . 0.01 7p . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.556 2.83 4 P-O3'-C3' 128.248 7.123 . 0.096 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.557 3.64 1 O4'-C1'-N19 112.52 4.32 . 0.127 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.509 1 P-O3'-C3' 125.698 4.999 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.302 2 C3'-C2'-C1' 106.239 5.266 . 0.01 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.235 1 O4'-C1'-N19 114.086 5.886 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ' A' . . . . . 0.662 ' H61' HO2' ' A' ' 6' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.555 3.463 1 P-O3'-C3' 126.318 5.515 . 0.111 0a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.458 ' C5 ' " H3'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.561 3.927 0 N19-C1'-C2' 119.62 3.887 . 0.567 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.64 0 P-O3'-C3' 123.22 2.933 . 0.316 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.658 0 O4'-C1'-N19 111.349 3.149 . 0.392 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.035 0 O4'-C1'-N19 111.815 3.615 . 0.475 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.747 1 P-O3'-C3' 124.56 4.05 . 0.437 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.989 1 P-O3'-C3' 125.072 4.477 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.422 ' H2 ' ' HD2' ' B' ' 102' ' ' PRO . 4.8 mpp? . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 115.039 -2.41 . . . . 0.0 112.761 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . 0.422 ' HD2' ' H2 ' ' B' ' 101' ' ' MET . 61.2 Cg_endo -68.66 154.76 70.78 Favored 'Trans proline' 0 C--N 1.375 1.952 0 CA-C-N 123.369 2.239 . . . . 0.0 114.897 -178.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -79.85 -164.54 0.68 Allowed 'General case' 0 C--N 1.365 1.239 0 C-N-CA 127.574 2.35 . . . . 0.0 110.624 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . 0.259 14.7 t -56.78 -55.5 33.46 Favored 'General case' 0 C--N 1.371 1.508 0 C-N-CA 126.748 2.019 . . . . 0.0 112.629 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -100.48 129.35 46.42 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 127.641 2.376 . . . . 0.0 111.08 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . 0.39 0.1 OUTLIER -87.55 -70.7 0.61 Allowed 'General case' 0 C--N 1.378 1.84 0 CA-C-O 115.348 -2.263 . . . . 0.0 116.484 -177.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.49 HH11 " H4'" ' A' ' 21' ' ' ' G' 0.559 0.0 OUTLIER -59.61 122.18 62.81 Favored Pre-proline 0 C--N 1.396 2.616 0 CA-C-N 122.669 2.486 . . . . 0.0 110.029 -179.256 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -78.49 179.63 6.31 Favored 'Trans proline' 0 C--N 1.351 0.666 0 N-CA-C 117.729 2.165 . . . . 0.0 117.729 -171.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.451 ' CZ ' ' C8 ' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -66.84 108.3 2.49 Favored 'General case' 0 CA--C 1.481 -1.684 1 C-N-CA 135.38 5.472 . . . . 0.0 103.558 179.611 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -20.45 -44.29 0.0 OUTLIER 'General case' 0 N--CA 1.416 -2.147 1 C-N-CA 132.156 4.182 . . . . 0.0 120.352 -175.421 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 69.2 m -46.0 -25.45 0.56 Allowed 'General case' 0 C--N 1.361 1.092 0 C-N-CA 129.627 3.171 . . . . 0.0 115.863 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -85.93 -51.73 6.18 Favored 'General case' 0 N--CA 1.433 -1.316 0 C-N-CA 130.289 3.436 . . . . 0.0 110.404 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . 0.258 2.7 ptt180 -69.98 112.21 6.23 Favored 'General case' 0 N--CA 1.426 -1.66 0 C-N-CA 126.817 2.047 . . . . 0.0 109.064 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -95.37 -13.95 24.27 Favored 'General case' 0 N--CA 1.436 -1.172 0 C-N-CA 131.23 3.812 . . . . 0.0 114.495 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -96.26 162.2 24.46 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 130.055 3.342 . . . . 0.0 110.331 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo . . . . . 0 C--N 1.373 1.858 0 C-N-CA 121.264 1.31 . . . . 0.0 113.217 -179.634 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . 0.487 " H2'" ' C8 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.539 2.247 0 C5'-C4'-O4' 111.608 1.72 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.487 ' C8 ' " H2'" ' A' ' 1' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.547 2.883 0 O4'-C1'-N19 112.067 3.867 . 0.466 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . 0.457 " H2'" ' C6 ' ' A' ' 4' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.551 3.157 1 N19-C1'-C2' 121.962 5.351 . 0.824 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.457 ' C6 ' " H2'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.456 3.541 1 O4'-C1'-N19 113.47 5.27 OUTLIER-EPSILON 0.486 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . 0.448 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 P--O3' 1.566 -3.408 2 P-O3'-C3' 136.397 13.914 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.863 1 O4'-C1'-N19 112.56 4.36 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.64 1 C3'-C2'-C1' 105.528 4.475 . 0.367 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 0.422 ' C8 ' ' C5 ' ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.547 2.82 2 O4'-C1'-N19 112.999 4.799 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.422 ' C5 ' ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.561 3.926 0 C1'-C2'-O2' 119.093 2.831 . 0.434 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ' U' . . . . . 0.475 " H1'" ' C5 ' ' A' ' 22' ' ' ' A' . . . . . . . . 0 P--O3' 1.59 -1.38 3 C5'-C4'-C3' 122.859 4.906 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.461 ' C5 ' ' C4 ' ' A' ' 12' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.557 3.636 0 O4'-C1'-N19 111.715 3.515 . 0.518 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ' C' . . . . . 0.461 ' C4 ' ' C5 ' ' A' ' 11' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.449 2.884 1 O4'-C1'-N19 115.067 6.867 . 0.521 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.424 HO2' ' H6 ' ' A' ' 14' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.084 0 P-O3'-C3' 123.581 3.234 . 0.825 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.62 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.548 2.128 2 N19-C1'-C2' 122.654 5.783 . 0.032 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.62 ' C8 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 1 C2'--C1' 1.582 5.439 4 P-O3'-C3' 130.275 8.813 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.561 1 P-O3'-C3' 136.069 13.641 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . 0.471 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.565 4.204 0 C2'-C3'-O3' 121.18 3.636 OUTLIER-EPSILON 0.707 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ' U' . . . . . 0.471 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.553 3.333 2 P-O3'-C3' 137.668 14.974 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.68 1 N19-C1'-C2' 124.6 7.0 . 0.142 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.445 2.605 1 O4'-C1'-N19 112.614 4.414 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ' G' . . . . . 0.452 " H4'" HH11 ' B' ' 107' ' ' ARG . . . . . . . . 0 C5'--C4' 1.545 2.656 3 O5'-C5'-C4' 121.667 8.19 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ' A' . . . . . 0.475 ' C5 ' " H1'" ' A' ' 10' ' ' ' U' . . . . . . . . 0 P--O3' 1.571 -2.976 0 C1'-O4'-C4' 106.119 -3.868 . 0.022 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.137 0 O4'-C1'-N19 111.86 3.66 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.743 0 O4'-C1'-N19 111.073 2.873 . 0.416 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.008 2 O4'-C1'-N19 113.236 5.036 . 0.046 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ' U' . . . . . 0.405 ' H3 ' HH22 ' B' ' 109' ' ' ARG . . . . . . . . 0 C5'--C4' 1.551 3.142 1 O4'-C1'-N19 115.33 7.13 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ' A' . . . . . 0.477 " H3'" ' C5 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.553 3.326 1 P-O3'-C3' 127.073 6.144 . 0.108 0a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.477 ' C5 ' " H3'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.559 3.755 0 O4'-C1'-N19 111.181 2.981 . 0.452 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.881 0 O4'-C1'-N19 110.683 2.483 . 0.891 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.05 0 O4'-C1'-N19 111.668 3.468 . 0.639 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.153 0 P-O3'-C3' 123.664 3.304 . 0.495 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.557 2.856 1 P-O3'-C3' 124.957 4.381 . 0.402 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.932 1 P-O3'-C3' 126.014 5.261 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 30.1 mmt . . . . . 0 N--CA 1.496 1.834 0 CA-C-O 118.427 -0.797 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -61.42 -21.3 71.51 Favored 'Trans proline' 0 C--N 1.376 1.99 0 N-CA-C 115.768 1.411 . . . . 0.0 115.768 178.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -83.77 -166.7 1.47 Allowed 'General case' 0 C--N 1.365 1.239 0 C-N-CA 127.893 2.477 . . . . 0.0 109.512 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 5.5 t -57.07 -41.66 79.17 Favored 'General case' 0 C--N 1.372 1.544 0 C-N-CA 128.032 2.533 . . . . 0.0 112.632 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 7.2 tpt85 -67.01 140.66 57.72 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 128.841 2.856 . . . . 0.0 111.709 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -114.77 -64.05 1.37 Allowed 'General case' 0 C--N 1.372 1.545 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -173.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.452 HH11 " H4'" ' A' ' 21' ' ' ' G' 0.579 0.0 OUTLIER -54.04 124.25 44.15 Favored Pre-proline 0 C--N 1.388 2.271 0 CA-C-N 121.454 1.934 . . . . 0.0 112.476 -177.798 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -75.0 179.8 5.73 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 122.243 1.962 . . . . 0.0 116.881 -173.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.448 ' CZ ' ' C8 ' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -65.7 104.92 1.13 Allowed 'General case' 0 CA--C 1.47 -2.124 1 C-N-CA 131.789 4.036 . . . . 0.0 106.56 -177.857 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ARG . . . . . 0.497 HH21 ' HB2' ' B' ' 113' ' ' ARG . 4.8 tpm_? -12.39 -52.87 0.0 OUTLIER 'General case' 0 N--CA 1.418 -2.047 1 C-N-CA 132.609 4.364 . . . . 0.0 117.478 -178.313 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 60.9 m -43.19 -30.6 0.49 Allowed 'General case' 0 C--N 1.366 1.286 0 C-N-CA 129.67 3.188 . . . . 0.0 116.338 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -76.84 -49.48 15.67 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 130.981 3.712 . . . . 0.0 110.647 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.497 ' HB2' HH21 ' B' ' 110' ' ' ARG . 3.9 mtm180 -69.77 106.54 3.15 Favored 'General case' 0 N--CA 1.428 -1.569 0 C-N-CA 129.671 3.188 . . . . 0.0 106.515 -177.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -94.92 122.99 38.13 Favored 'General case' 0 N--CA 1.421 -1.879 0 C-N-CA 130.365 3.466 . . . . 0.0 107.556 -177.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -94.06 130.77 33.34 Favored Pre-proline 0 C--N 1.358 0.955 0 C-N-CA 127.098 2.159 . . . . 0.0 109.536 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . 2.544 63.0 Cg_endo . . . . . 0 C--O 1.263 1.731 0 CA-C-O 117.296 -1.21 . . . . 0.0 112.229 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.213 0 O4'-C1'-N19 109.656 1.456 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.595 0 O4'-C1'-N19 111.855 3.655 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . 0.464 " H2'" ' C6 ' ' A' ' 4' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.546 2.777 1 N19-C1'-C2' 121.99 5.369 . 0.872 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.464 ' C6 ' " H2'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.456 3.516 1 O4'-C1'-N19 113.541 5.341 OUTLIER-EPSILON 0.478 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . 0.454 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 P--O3' 1.566 -3.439 2 P-O3'-C3' 137.07 14.475 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.562 1 O4'-C1'-N19 113.207 5.007 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.408 3 P-O3'-C3' 134.037 11.948 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 0.562 ' C8 ' ' C5 ' ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.544 2.652 2 N19-C1'-C2' 122.725 5.828 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.562 ' C5 ' ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.566 3.754 0 C5'-C4'-C3' 109.792 -3.806 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.592 -1.253 1 C5'-C4'-C3' 122.383 4.589 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.437 ' C5 ' ' C4 ' ' A' ' 12' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.553 3.319 0 C5'-C4'-O4' 113.066 2.761 . 0.721 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ' C' . . . . . 0.437 ' C4 ' ' C5 ' ' A' ' 11' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.45 2.991 1 O4'-C1'-N19 115.133 6.933 . 0.488 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.3 0 C5'-C4'-O4' 113.359 2.971 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.552 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.546 1.939 1 C5'-C4'-C3' 121.925 4.284 OUTLIER-EPSILON 0.092 1g . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.552 ' C8 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 1 C2'--C1' 1.579 5.078 5 P-O3'-C3' 136.072 13.643 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.767 1 P-O3'-C3' 135.755 13.379 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.563 4.092 0 C1'-O4'-C4' 112.321 3.023 . 0.163 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.553 2 P-O3'-C3' 126.279 5.482 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ' A' . . . . . 0.472 ' C5 ' ' C5 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.545 2.655 1 N19-C1'-C2' 121.729 5.205 . 0.672 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . 0.796 HO2' H5'' ' A' ' 21' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.547 2.859 2 P-O3'-C3' 130.251 8.793 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ' G' . . . . . 0.796 H5'' HO2' ' A' ' 20' ' ' ' C' . . . . . . . . 0 C2'--C1' 1.493 -3.542 3 O5'-C5'-C4' 121.117 7.798 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.547 1.91 0 N19-C1'-C2' 119.333 3.708 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 3.057 1 O4'-C1'-N19 112.808 4.608 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.816 1 P-O3'-C3' 134.273 12.144 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.137 1 O4'-C1'-N19 113.312 5.112 . 0.095 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.087 1 O4'-C1'-N19 114.933 6.733 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ' A' . . . . . 0.5 " H3'" ' C5 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.54 2.317 1 N19-C1'-C2' 120.481 4.426 . 0.254 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.5 ' C5 ' " H3'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.556 3.566 1 O4'-C1'-N19 113.557 5.357 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.087 0 O4'-C1'-N19 110.826 2.626 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.819 0 O4'-C1'-N19 111.657 3.457 . 0.67 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.009 0 O4'-C1'-N19 111.581 3.381 . 0.576 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.556 2.766 0 P-O3'-C3' 123.209 2.924 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.691 0 P-O3'-C3' 123.842 3.452 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.413 ' H3 ' ' HD2' ' B' ' 102' ' ' PRO . 23.1 ttt . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 114.88 -2.486 . . . . 0.0 112.012 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . 0.413 ' HD2' ' H3 ' ' B' ' 101' ' ' MET . 44.3 Cg_endo -66.96 160.27 47.93 Favored 'Trans proline' 0 C--N 1.377 2.053 0 CA-C-N 123.748 2.374 . . . . 0.0 112.824 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -70.66 147.58 48.98 Favored 'General case' 0 C--N 1.367 1.334 0 C-N-CA 125.529 1.531 . . . . 0.0 110.913 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 26.3 p -63.95 147.51 51.83 Favored 'General case' 0 C--N 1.367 1.337 0 C-N-CA 127.517 2.327 . . . . 0.0 113.49 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . 0.41 HH11 ' H ' ' B' ' 107' ' ' ARG . 0.2 OUTLIER -90.9 133.6 35.11 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 127.507 2.323 . . . . 0.0 107.544 178.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.46 HH21 " H5'" ' A' ' 19' ' ' ' A' 0.311 0.1 OUTLIER -72.39 -71.74 0.27 Allowed 'General case' 0 C--N 1.368 1.392 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 -176.502 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.465 HH11 " H4'" ' A' ' 21' ' ' ' G' 0.524 0.0 OUTLIER -59.13 120.71 49.78 Favored Pre-proline 0 C--N 1.389 2.295 0 CA-C-N 121.225 1.83 . . . . 0.0 109.72 -179.129 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -73.17 173.57 13.47 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.608 2.205 . . . . 0.0 116.447 -171.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.454 ' CZ ' ' C8 ' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -58.26 101.75 0.09 Allowed 'General case' 0 CA--C 1.468 -2.2 1 C-N-CA 131.846 4.058 . . . . 0.0 105.356 -178.376 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -10.69 -56.69 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.495 1 C-N-CA 133.151 4.581 . . . . 0.0 115.7 -176.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 33.4 m -33.62 -38.75 0.05 Allowed 'General case' 0 C--N 1.358 0.958 0 C-N-CA 128.966 2.906 . . . . 0.0 117.53 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.83 -41.8 78.07 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 131.375 3.87 . . . . 0.0 115.975 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . 0.448 4.8 ptt180 -80.25 -115.83 0.02 OUTLIER 'General case' 0 N--CA 1.426 -1.647 0 N-CA-C 119.05 2.981 . . . . 0.0 119.05 -169.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -56.82 78.87 0.01 OUTLIER 'General case' 0 N--CA 1.432 -1.34 1 C-N-CA 135.067 5.347 . . . . 0.0 115.808 -174.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -91.94 127.67 48.77 Favored Pre-proline 0 C--N 1.365 1.268 0 C-N-CA 125.684 1.593 . . . . 0.0 109.354 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo . . . . . 0 C--N 1.371 1.751 0 CA-C-O 117.305 -1.206 . . . . 0.0 112.84 179.02 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.253 0 C4'-C3'-C2' 104.241 1.541 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.601 1 O4'-C1'-N19 112.932 4.732 . 0.621 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . 0.417 " H2'" ' C6 ' ' A' ' 4' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.548 2.942 1 N19-C1'-C2' 121.03 4.769 . 0.846 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.417 ' C6 ' " H2'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.457 3.55 1 O4'-C1'-N19 113.651 5.451 OUTLIER-EPSILON 0.504 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . 0.475 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 P--O3' 1.567 -3.332 3 P-O3'-C3' 136.621 14.101 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 2.514 1 O4'-C1'-N19 113.51 5.31 OUTLIER-EPSILON 0.064 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.249 2 P-O3'-C3' 134.746 12.538 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 0.621 HO2' " H5'" ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.542 2.483 2 P-O3'-C3' 134.495 12.329 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.621 " H5'" HO2' ' A' ' 8' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.563 4.066 0 C1'-C2'-O2' 119.2 2.867 . 0.663 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ' U' . . . . . 0.403 " H2'" ' H8 ' ' A' ' 11' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.525 1.188 3 C5'-C4'-C3' 122.679 4.786 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.403 ' H8 ' " H2'" ' A' ' 10' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.557 3.614 0 O4'-C1'-N19 110.946 2.746 . 0.55 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.455 3.393 2 O4'-C1'-N19 114.926 6.726 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.061 0 P-O3'-C3' 123.745 3.371 . 0.881 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.534 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.545 1.837 1 C5'-C4'-C3' 121.951 4.301 OUTLIER-EPSILON 0.135 1g . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.534 ' C8 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 1 C2'--C1' 1.581 5.284 5 P-O3'-C3' 137.152 14.544 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . 0.424 ' N3 ' ' C2 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.547 2.87 2 P-O3'-C3' 133.782 11.735 . 0.01 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . 0.545 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.565 4.243 0 C5'-C4'-C3' 110.85 -3.1 OUTLIER-DELTA 0.087 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ' U' . . . . . 0.545 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.742 1 P-O3'-C3' 126.508 5.674 . 0.026 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ' A' . . . . . 0.446 ' C5 ' ' C5 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.713 1 N19-C1'-C2' 123.728 6.455 . 0.23 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . 0.446 ' C5 ' ' C5 ' ' A' ' 19' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.441 2.279 2 P-O3'-C3' 132.167 10.389 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ' G' . . . . . 0.52 " H4'" HH11 ' B' ' 107' ' ' ARG . . . . . . . . 1 C2'--C1' 1.488 -4.037 3 O5'-C5'-C4' 122.211 8.579 . 0.01 7p . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.552 2.454 1 C1'-O4'-C4' 105.688 -4.347 . 0.01 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.558 3.719 1 O4'-C1'-N19 112.242 4.042 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.797 1 P-O3'-C3' 125.86 5.134 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.039 1 O4'-C1'-N19 112.934 4.734 . 0.091 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.967 3 O4'-C1'-N19 114.621 6.421 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ' A' . . . . . 0.513 " H3'" ' C5 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.544 2.625 1 N19-C1'-C2' 120.025 4.141 . 0.202 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.513 ' C5 ' " H3'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.556 3.554 1 O4'-C1'-N19 112.824 4.624 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.874 0 O5'-C5'-C4' 113.619 2.442 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.908 0 O4'-C1'-N19 111.576 3.376 . 0.662 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.1 0 O4'-C1'-N19 111.885 3.685 . 0.471 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . 0.497 HO2' ' H5 ' ' A' ' 33' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.547 2.837 1 P-O3'-C3' 125.222 4.602 . 0.433 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . 0.497 ' H5 ' HO2' ' A' ' 32' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.553 3.273 0 P-O3'-C3' 124.439 3.949 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 117.972 -1.013 . . . . 0.0 113.678 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.32 -19.24 44.11 Favored 'Trans proline' 0 C--N 1.371 1.712 0 CA-C-O 117.348 -1.188 . . . . 0.0 114.548 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -83.74 159.46 21.47 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 127.334 2.254 . . . . 0.0 110.669 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 13.9 t -90.62 -58.73 2.39 Favored 'General case' 0 C--N 1.365 1.251 0 C-N-CA 126.571 1.948 . . . . 0.0 110.546 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.24 147.29 24.91 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 128.246 2.618 . . . . 0.0 113.563 -177.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.434 ' HG3' " H3'" ' A' ' 19' ' ' ' A' . 12.1 mmm180 -93.76 -72.86 0.59 Allowed 'General case' 0 C--N 1.371 1.529 0 C-N-CA 127.862 2.465 . . . . 0.0 115.196 -177.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.52 HH11 " H4'" ' A' ' 21' ' ' ' G' 0.621 0.1 OUTLIER -52.15 116.84 9.04 Favored Pre-proline 0 C--N 1.397 2.655 0 CA-C-N 121.906 2.139 . . . . 0.0 111.874 -176.834 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -69.3 174.5 9.02 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.035 1.823 . . . . 0.0 115.322 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.475 ' CZ ' ' C8 ' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -61.22 110.18 1.33 Allowed 'General case' 0 CA--C 1.468 -2.19 0 C-N-CA 131.485 3.914 . . . . 0.0 107.481 -177.17 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ARG . . . . . 0.474 ' C ' ' HE ' ' B' ' 110' ' ' ARG . 0.0 OUTLIER -8.57 -60.4 0.0 OUTLIER 'General case' 0 N--CA 1.412 -2.349 1 C-N-CA 133.964 4.906 . . . . 0.0 115.637 -178.546 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 47.4 m -35.76 -39.53 0.15 Allowed 'General case' 0 C--N 1.363 1.184 0 C-N-CA 130.76 3.624 . . . . 0.0 116.694 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -26.03 40.97 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 131.43 3.892 . . . . 0.0 117.428 -177.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.515 ' HA ' ' C4 ' ' A' ' 21' ' ' ' G' . 17.2 mtm180 -71.32 -101.77 0.01 OUTLIER 'General case' 0 N--CA 1.423 -1.811 0 C-N-CA 126.346 1.858 . . . . 0.0 111.903 -169.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' LYS . . . . . 0.47 ' HB2' HH22 ' B' ' 110' ' ' ARG . 64.9 mmtt -68.74 93.27 0.52 Allowed 'General case' 0 N--CA 1.425 -1.722 0 C-N-CA 128.998 2.919 . . . . 0.0 110.735 -177.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -107.54 119.81 49.41 Favored Pre-proline 0 C--N 1.366 1.286 0 C-N-CA 126.74 2.016 . . . . 0.0 108.733 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo . . . . . 0 C--O 1.264 1.787 0 CA-C-N 120.011 1.04 . . . . 0.0 112.337 177.862 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.1 0 C5'-C4'-O4' 112.043 2.031 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.774 1 O4'-C1'-N19 112.311 4.111 . 0.796 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.018 1 N19-C1'-C2' 122.854 5.909 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.455 3.457 2 O4'-C1'-N19 113.796 5.596 OUTLIER-EPSILON 0.037 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . 0.454 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 P--O3' 1.565 -3.504 2 P-O3'-C3' 136.867 14.306 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.989 1 O4'-C1'-N19 112.393 4.193 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.433 2 O4'-C1'-N19 113.284 5.084 . 0.56 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 0.637 HO2' " H5'" ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.549 3.007 1 O4'-C1'-N19 113.793 5.593 . 0.662 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.637 " H5'" HO2' ' A' ' 8' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.567 4.404 0 O4'-C1'-N19 111.725 3.525 . 0.542 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.432 1.456 2 C5'-C4'-C3' 122.743 4.829 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.416 ' C5 ' ' C4 ' ' A' ' 12' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.553 3.291 0 C5'-C4'-O4' 112.889 2.635 . 0.728 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ' C' . . . . . 0.416 ' C4 ' ' C5 ' ' A' ' 11' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.45 3.029 1 O4'-C1'-N19 115.292 7.092 . 0.471 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.33 0 C5'-C4'-O4' 113.577 3.127 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.59 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.547 2.043 2 N19-C1'-C2' 122.208 5.505 . 0.079 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.59 ' C8 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 1 C2'--C1' 1.585 5.716 4 O4'-C1'-N19 98.575 -9.625 . 0.0 OUTLIER '7D dist 7r' 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . 0.433 ' N3 ' ' C2 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.724 1 P-O3'-C3' 130.824 9.27 . 0.046 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . 0.505 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.565 4.195 0 N19-C1'-C2' 118.417 3.136 OUTLIER-DELTA 0.102 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ' U' . . . . . 0.505 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.757 1 P-O3'-C3' 126.204 5.42 . 0.035 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ' A' . . . . . 0.525 ' C5 ' ' C5 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.547 2.839 2 N19-C1'-C2' 120.399 4.374 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . 0.525 ' C5 ' ' C5 ' ' A' ' 19' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.543 2.558 2 P-O3'-C3' 131.356 9.713 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ' G' . . . . . 0.402 " H4'" HH11 ' B' ' 107' ' ' ARG . . . . . . . . 0 C5'--C4' 1.545 2.684 3 O5'-C5'-C4' 120.968 7.691 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.551 2.285 0 O4'-C4'-C3' 100.682 -3.442 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.299 0 O4'-C1'-N19 111.276 3.076 . 0.579 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.735 0 O4'-C1'-N19 111.308 3.108 . 0.607 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.195 2 O4'-C1'-N19 114.816 6.616 . 0.148 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.992 1 O4'-C1'-N19 114.253 6.053 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ' A' . . . . . 0.45 " H3'" ' C5 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.551 3.145 1 P-O3'-C3' 126.183 5.403 . 0.01 0a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.45 ' C5 ' " H3'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.559 3.789 0 O4'-C1'-N19 111.643 3.443 . 0.448 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ' G' . . . . . 0.4 ' C6 ' ' C4 ' ' A' ' 30' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.072 0 O5'-C5'-C4' 113.673 2.481 . 0.767 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.4 ' C4 ' ' C6 ' ' A' ' 29' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.547 2.825 0 O4'-C1'-N19 112.104 3.904 . 0.742 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.994 0 O4'-C1'-N19 112.053 3.853 . 0.511 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.863 0 P-O3'-C3' 123.474 3.145 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.885 1 P-O3'-C3' 125.194 4.579 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 61.4 mtt . . . . . 0 N--CA 1.498 1.952 0 CA-C-O 118.217 -0.896 . . . . 0.0 113.335 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -59.16 -24.26 73.05 Favored 'Trans proline' 0 C--N 1.376 1.987 0 N-CA-C 116.282 1.609 . . . . 0.0 116.282 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -86.7 144.21 27.21 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 125.779 1.631 . . . . 0.0 109.281 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 14.9 t -91.54 -52.26 4.86 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 127.42 2.288 . . . . 0.0 109.541 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -97.19 150.88 20.4 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 127.74 2.416 . . . . 0.0 112.906 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -110.23 -72.08 0.74 Allowed 'General case' 0 C--N 1.372 1.569 0 CA-C-O 116.088 -1.91 . . . . 0.0 113.108 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.437 ' HE ' ' CZ ' ' B' ' 113' ' ' ARG 0.536 0.0 OUTLIER -61.22 116.76 21.05 Favored Pre-proline 0 C--N 1.392 2.451 0 CA-C-N 121.004 1.729 . . . . 0.0 108.901 -178.771 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -75.3 179.33 6.26 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.461 2.108 . . . . 0.0 117.445 -170.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.454 ' CZ ' ' C8 ' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -63.13 106.29 0.83 Allowed 'General case' 0 CA--C 1.48 -1.721 1 C-N-CA 133.458 4.703 . . . . 0.0 103.712 179.096 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -18.32 -43.98 0.0 OUTLIER 'General case' 0 N--CA 1.415 -2.224 1 C-N-CA 132.598 4.359 . . . . 0.0 120.469 -175.29 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 67.5 m -44.83 -25.63 0.32 Allowed 'General case' 0 C--N 1.36 1.042 0 C-N-CA 129.73 3.212 . . . . 0.0 116.117 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -84.38 -54.23 4.92 Favored 'General case' 0 N--CA 1.429 -1.523 0 C-N-CA 130.908 3.683 . . . . 0.0 110.246 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.437 ' CZ ' ' HE ' ' B' ' 107' ' ' ARG 0.275 6.3 ptt180 -72.42 119.58 16.82 Favored 'General case' 0 N--CA 1.422 -1.833 0 CA-C-O 124.979 2.323 . . . . 0.0 109.729 -178.73 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -106.31 121.05 43.43 Favored 'General case' 0 N--CA 1.415 -2.193 1 C-N-CA 132.643 4.377 . . . . 0.0 105.251 -178.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 28.3 mtp-105 -70.92 -63.44 1.54 Allowed Pre-proline 0 C--N 1.355 0.82 0 C-N-CA 127.816 2.447 . . . . 0.0 112.871 -177.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo . . . . . 0 C--O 1.263 1.741 0 CA-C-N 122.91 2.075 . . . . 0.0 111.295 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.028 0 N19-C1'-C2' 116.143 1.714 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.72 1 O4'-C1'-N19 112.429 4.229 . 0.453 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . 0.404 ' C5 ' ' C4 ' ' A' ' 4' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.548 2.897 1 N19-C1'-C2' 121.407 5.004 . 0.523 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.439 ' C5 ' ' NH1' ' B' ' 109' ' ' ARG . . . . . . . . 0 C5'--C4' 1.543 2.539 1 O4'-C1'-N19 114.38 6.18 . 0.758 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . 0.436 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 P--O3' 1.574 -2.79 2 P-O3'-C3' 128.337 7.198 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.939 0 O4'-C1'-N19 112.159 3.959 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.328 3 P-O3'-C3' 126.633 5.778 . 0.345 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 0.479 ' C8 ' ' C5 ' ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.543 2.519 2 N19-C1'-C2' 122.278 5.549 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.479 ' C5 ' ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.556 3.507 0 C1'-C2'-O2' 119.573 2.991 . 0.249 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ' U' . . . . . 0.582 " H1'" ' C5 ' ' A' ' 22' ' ' ' A' . . . . . . . . 0 C2'--O2' 1.429 1.253 3 C5'-C4'-C3' 123.045 5.03 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.434 ' C5 ' ' C4 ' ' A' ' 12' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.559 3.749 0 C2'-C3'-O3' 121.515 3.755 OUTLIER-EPSILON 0.455 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ' C' . . . . . 0.434 ' C4 ' ' C5 ' ' A' ' 11' ' ' ' A' . . . . . . . . 0 P--O3' 1.571 -3.04 2 P-O3'-C3' 137.663 14.969 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.302 0 C5'-C4'-O4' 113.341 2.958 . 0.941 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.61 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.552 2.44 1 C5'-C4'-C3' 121.604 4.069 OUTLIER-EPSILON 0.114 1g . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.61 ' C8 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 1 C2'--C1' 1.582 5.373 3 P-O3'-C3' 134.458 12.299 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . 0.424 ' N3 ' ' C2 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.658 1 P-O3'-C3' 128.979 7.732 . 0.125 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . 0.408 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.565 4.231 0 O4'-C1'-N19 104.84 -3.36 OUTLIER-DELTA 0.024 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ' U' . . . . . 0.408 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.556 3.506 1 P-O3'-C3' 127.623 6.603 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.662 1 N19-C1'-C2' 123.264 6.165 . 0.311 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . 0.473 HO2' " C5'" ' A' ' 21' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.551 3.123 1 O4'-C1'-N19 115.033 6.833 . 0.225 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ' G' . . . . . 0.504 ' C4 ' ' HA ' ' B' ' 113' ' ' ARG . . . . . . . . 0 C5'--C4' 1.554 3.375 2 O5'-C5'-C4' 119.438 6.599 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ' A' . . . . . 0.582 ' C5 ' " H1'" ' A' ' 10' ' ' ' U' . . . . . . . . 0 C2'--C1' 1.555 2.687 0 O4'-C4'-C3' 100.227 -3.767 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.187 1 O4'-C1'-N19 112.424 4.224 . 0.338 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.233 0 O4'-C1'-N19 111.217 3.017 . 0.567 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.564 4.192 1 O4'-C1'-N19 114.753 6.553 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.068 2 O4'-C1'-N19 114.382 6.182 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ' A' . . . . . 0.468 " H3'" ' C5 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.551 3.189 1 P-O3'-C3' 127.292 6.327 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.468 ' C5 ' " H3'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.556 3.553 1 O4'-C1'-N19 113.287 5.087 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ' G' . . . . . 0.401 " H2'" ' C6 ' ' A' ' 30' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.077 0 O4'-C1'-N19 111.502 3.302 . 0.801 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.401 ' C6 ' " H2'" ' A' ' 29' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.549 2.98 1 O4'-C1'-N19 112.205 4.005 . 0.613 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.177 0 O4'-C1'-N19 111.652 3.452 . 0.517 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.771 0 P-O3'-C3' 123.495 3.162 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.885 0 P-O3'-C3' 123.913 3.511 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.496 1.858 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -63.44 157.49 50.39 Favored 'Trans proline' 0 C--N 1.374 1.908 0 N-CA-C 116.317 1.622 . . . . 0.0 116.317 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -90.0 163.46 14.92 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.367 2.267 . . . . 0.0 110.786 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 12.0 p -69.35 153.98 42.75 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 127.088 2.155 . . . . 0.0 111.009 178.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 15.0 tpt85 -67.94 151.39 47.19 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.955 2.102 . . . . 0.0 113.571 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . 0.258 21.8 mmm180 -99.31 -88.62 0.33 Allowed 'General case' 0 C--N 1.37 1.481 0 CA-C-O 116.106 -1.902 . . . . 0.0 111.032 -177.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . 0.605 0.0 OUTLIER -35.26 122.71 0.61 Allowed Pre-proline 0 C--N 1.392 2.455 0 N-CA-C 116.686 2.106 . . . . 0.0 116.686 -177.197 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -71.02 174.34 10.74 Favored 'Trans proline' 0 C--N 1.364 1.379 0 O-C-N 124.709 1.899 . . . . 0.0 114.749 -174.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.439 ' NH1' ' C5 ' ' A' ' 4' ' ' ' C' . 0.0 OUTLIER -64.07 106.26 1.02 Allowed 'General case' 0 CA--C 1.464 -2.342 1 C-N-CA 132.936 4.494 . . . . 0.0 106.016 -176.378 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ARG . . . . . 0.517 ' C ' ' HE ' ' B' ' 110' ' ' ARG . 0.7 OUTLIER -9.21 -60.54 0.0 OUTLIER 'General case' 0 N--CA 1.406 -2.669 1 C-N-CA 133.344 4.658 . . . . 0.0 115.879 -178.977 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 69.8 m -40.69 -35.9 0.54 Allowed 'General case' 0 C--N 1.361 1.098 0 N-CA-C 117.8 2.518 . . . . 0.0 117.8 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -32.03 68.32 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 129.081 2.952 . . . . 0.0 115.024 -178.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.504 ' HA ' ' C4 ' ' A' ' 21' ' ' ' G' 0.26 11.3 mtm180 -70.7 -127.0 0.0 OUTLIER 'General case' 0 N--CA 1.425 -1.706 0 C-N-CA 127.792 2.437 . . . . 0.0 113.571 -170.128 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt -62.07 99.02 0.11 Allowed 'General case' 0 N--CA 1.426 -1.67 1 C-N-CA 135.172 5.389 . . . . 0.0 110.149 -179.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -93.31 121.52 65.07 Favored Pre-proline 0 C--N 1.361 1.083 0 C-N-CA 126.419 1.887 . . . . 0.0 108.926 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo . . . . . 0 C--O 1.263 1.766 0 C-N-CA 120.73 0.954 . . . . 0.0 111.518 179.826 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . 0.463 " H2'" ' C8 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.538 2.176 0 C5'-C4'-O4' 111.051 1.322 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.463 ' C8 ' " H2'" ' A' ' 1' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.545 2.698 0 O4'-C1'-N19 112.153 3.953 . 0.667 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . 0.418 " H2'" ' C6 ' ' A' ' 4' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.549 3.016 1 N19-C1'-C2' 120.231 4.269 . 0.794 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.418 ' C6 ' " H2'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.552 3.252 1 O4'-C1'-N19 114.303 6.103 . 0.718 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . 0.448 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 C5'--C4' 1.55 3.057 2 P-O3'-C3' 128.837 7.615 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.022 1 O4'-C1'-N19 112.278 4.078 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . 0.469 " H2'" ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.55 3.09 3 O4'-C1'-N19 114.913 6.713 . 0.322 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 0.506 ' C8 ' ' C5 ' ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.546 2.735 2 N19-C1'-C2' 122.913 5.946 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.506 ' C5 ' ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.557 3.633 0 C1'-C2'-O2' 119.308 2.903 . 0.338 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ' U' . . . . . 0.42 " H1'" ' C5 ' ' A' ' 22' ' ' ' A' . . . . . . . . 0 P--O3' 1.592 -1.224 3 C5'-C4'-C3' 123.134 5.089 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.431 ' C5 ' ' C4 ' ' A' ' 12' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.558 3.682 0 O4'-C1'-N19 111.391 3.191 . 0.387 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ' C' . . . . . 0.431 ' C4 ' ' C5 ' ' A' ' 11' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.455 3.423 2 O4'-C1'-N19 115.004 6.804 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.851 HO2' HO2' ' A' ' 14' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.551 3.129 0 P-O3'-C3' 124.462 3.968 . 0.828 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.851 HO2' HO2' ' A' ' 13' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.566 4.335 2 C4'-C3'-C2' 97.384 -5.316 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.437 ' C8 ' " O2'" ' A' ' 14' ' ' ' C' . . . . . . . . 1 C2'--C1' 1.58 5.182 4 O4'-C1'-N19 98.134 -10.066 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . 0.455 ' C8 ' ' C8 ' ' A' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.544 2.59 1 P-O3'-C3' 128.617 7.431 . 0.056 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . 0.455 ' C8 ' ' C8 ' ' A' ' 16' ' ' ' A' . . . . . . . . 1 C5'--C4' 1.568 4.427 1 C5'-C4'-C3' 109.463 -4.024 OUTLIER-DELTA 0.01 1c . 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.368 2 P-O3'-C3' 127.281 6.317 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.478 1 N19-C1'-C2' 123.569 6.355 . 0.175 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . 0.686 HO2' " C5'" ' A' ' 21' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.551 3.131 1 O4'-C1'-N19 115.258 7.058 . 0.424 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ' G' . . . . . 0.686 " C5'" HO2' ' A' ' 20' ' ' ' C' . . . . . . . . 0 P--O5' 1.621 2.793 3 O5'-C5'-C4' 122.395 8.711 . 0.031 7p . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ' A' . . . . . 0.42 ' C5 ' " H1'" ' A' ' 10' ' ' ' U' . . . . . . . . 0 P--O3' 1.565 -3.513 3 N19-C1'-C2' 120.402 4.376 . 0.016 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.894 2 O4'-C1'-N19 112.603 4.403 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.558 3.714 0 O5'-C5'-C4' 114.47 3.05 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.393 1 O4'-C1'-N19 113.308 5.108 . 0.151 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.804 1 O4'-C1'-N19 113.93 5.73 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ' A' . . . . . 0.462 " H3'" ' C5 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.552 3.259 1 P-O3'-C3' 136.86 14.3 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.462 ' C5 ' " H3'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.56 3.845 0 N19-C1'-C2' 119.799 3.999 . 0.572 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.558 0 N19-C1'-C2' 117.576 2.61 . 0.638 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.905 0 O4'-C1'-N19 111.408 3.208 . 0.414 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.119 0 O4'-C1'-N19 111.536 3.336 . 0.421 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.558 3.026 0 P-O3'-C3' 123.622 3.269 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 2.531 0 P-O3'-C3' 124.463 3.969 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 90.9 mtp . . . . . 0 N--CA 1.495 1.825 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -64.51 161.52 34.74 Favored 'Trans proline' 0 C--N 1.375 1.927 0 C-N-CA 121.078 1.185 . . . . 0.0 114.137 177.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -64.16 145.33 56.15 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 125.977 1.711 . . . . 0.0 111.107 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 65.3 p -52.27 -49.17 64.63 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 129.387 3.075 . . . . 0.0 114.061 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.8 140.09 20.16 Favored 'General case' 0 N--CA 1.44 -0.932 1 C-N-CA 133.43 4.692 . . . . 0.0 115.752 -177.001 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -142.34 -51.99 0.4 Allowed 'General case' 0 C--N 1.372 1.565 0 CA-C-O 115.718 -2.087 . . . . 0.0 113.896 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.477 HH11 " H4'" ' A' ' 21' ' ' ' G' 0.609 0.3 OUTLIER -53.28 123.74 36.46 Favored Pre-proline 0 C--N 1.395 2.582 0 CA-C-N 121.99 2.177 . . . . 0.0 113.234 -176.923 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -74.34 176.68 9.32 Favored 'Trans proline' 0 C--N 1.358 1.053 0 O-C-N 124.325 1.697 . . . . 0.0 116.142 -174.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.448 ' CZ ' ' C8 ' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -64.13 103.28 0.59 Allowed 'General case' 0 CA--C 1.465 -2.291 1 C-N-CA 135.625 5.57 . . . . 0.0 105.461 -176.586 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ARG . . . . . 0.54 HH21 ' HB2' ' B' ' 113' ' ' ARG . 3.8 tpm_? -15.69 -50.4 0.0 OUTLIER 'General case' 0 N--CA 1.421 -1.879 1 C-N-CA 131.859 4.064 . . . . 0.0 117.108 -177.532 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 49.8 m -42.54 -30.76 0.38 Allowed 'General case' 0 C--N 1.364 1.222 0 C-N-CA 130.041 3.336 . . . . 0.0 116.031 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.22 -52.01 8.25 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 131.112 3.765 . . . . 0.0 109.939 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.54 ' HB2' HH21 ' B' ' 110' ' ' ARG . 0.5 OUTLIER -70.08 110.07 4.92 Favored 'General case' 0 N--CA 1.425 -1.716 0 C-N-CA 129.172 2.989 . . . . 0.0 107.187 -177.868 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' LYS . . . . . 0.557 ' HG3' ' H ' ' B' ' 115' ' ' ARG 0.362 48.6 tptt -90.42 -128.84 0.08 Allowed 'General case' 0 N--CA 1.424 -1.746 0 C-N-CA 130.854 3.662 . . . . 0.0 104.699 -179.179 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . 0.557 ' H ' ' HG3' ' B' ' 114' ' ' LYS . 37.5 ptt85 -67.81 125.05 90.84 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 127.835 2.454 . . . . 0.0 108.59 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo . . . . . 0 C--O 1.263 1.727 0 CA-C-O 117.15 -1.271 . . . . 0.0 112.302 -178.511 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . 0.446 " H2'" ' C8 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.54 2.328 0 C5'-C4'-O4' 111.895 1.925 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.451 HO2' " H5'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.545 2.672 0 O4'-C1'-N19 111.76 3.56 . 0.446 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . 0.494 " H2'" ' C6 ' ' A' ' 4' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.547 2.864 1 N19-C1'-C2' 121.494 5.059 OUTLIER-EPSILON 0.859 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.494 ' C6 ' " H2'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.457 3.559 2 P-O3'-C3' 135.071 12.81 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . 0.451 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 P--O3' 1.564 -3.587 2 P-O3'-C3' 137.243 14.619 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ' C' . . . . . 0.584 HO2' ' H61' ' A' ' 27' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.546 2.763 1 O4'-C1'-N19 113.218 5.018 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . 0.406 " H2'" ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.555 3.476 3 O4'-C1'-N19 113.313 5.113 . 0.012 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 0.67 HO2' " H5'" ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.548 2.922 2 O4'-C1'-N19 113.338 5.138 . 0.167 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.67 " H5'" HO2' ' A' ' 8' ' ' ' G' . . . . . . . . 2 C5'--C4' 1.571 4.695 0 P-O5'-C5' 127.253 3.971 . 0.527 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.592 -1.214 2 C5'-C4'-C3' 122.36 4.573 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.577 0 C2'-C3'-O3' 121.364 3.701 OUTLIER-EPSILON 0.605 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.573 -2.846 2 P-O3'-C3' 137.137 14.531 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.363 0 C5'-C4'-O4' 113.389 2.992 . 0.949 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.598 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.549 2.15 2 N19-C1'-C2' 123.012 6.008 . 0.053 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.598 ' C8 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 1 C2'--C1' 1.579 5.064 4 P-O3'-C3' 129.59 8.242 . 0.0 OUTLIER '7D dist 7r' 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . 0.435 ' P ' HO2' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.552 3.236 1 P-O3'-C3' 128.318 7.182 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . 0.579 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.563 4.047 0 C1'-O4'-C4' 112.246 2.94 . 0.149 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ' U' . . . . . 0.579 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 1 O4'--C1' 1.463 4.046 1 P-O3'-C3' 126.812 5.926 . 0.068 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ' A' . . . . . 0.52 ' C5 ' ' C5 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.543 2.539 1 N19-C1'-C2' 120.257 4.285 OUTLIER-EPSILON 0.544 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . 0.691 HO2' H5'' ' A' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.451 3.059 2 P-O3'-C3' 134.431 12.276 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ' G' . . . . . 0.691 H5'' HO2' ' A' ' 20' ' ' ' C' . . . . . . . . 0 C2'--C1' 1.493 -3.507 3 O5'-C5'-C4' 121.323 7.945 . 0.024 7p . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.548 2.12 1 C1'-O4'-C4' 105.778 -4.247 . 0.01 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.923 2 O4'-C1'-N19 112.753 4.553 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.113 0 C5'-C4'-C3' 111.047 -2.968 . 0.715 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.911 1 O4'-C1'-N19 113.279 5.079 . 0.182 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.934 1 O4'-C1'-N19 113.718 5.518 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ' A' . . . . . 0.584 ' H61' HO2' ' A' ' 6' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.545 2.696 1 N19-C1'-C2' 120.469 4.418 . 0.132 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.476 ' C6 ' " H3'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.56 3.875 0 O4'-C1'-N19 111.44 3.24 . 0.347 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.878 0 O4'-C1'-N19 111.46 3.26 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.918 0 O4'-C1'-N19 111.94 3.74 . 0.604 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.202 0 O4'-C1'-N19 111.658 3.458 . 0.48 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.698 1 P-O3'-C3' 125.524 4.853 . 0.331 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.974 1 P-O3'-C3' 127.066 6.138 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ptm . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 117.817 -1.087 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -73.98 134.96 20.42 Favored 'Trans proline' 0 C--N 1.371 1.732 0 CA-C-N 120.018 1.042 . . . . 0.0 111.074 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -97.04 146.61 24.83 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 125.951 1.701 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 86.3 m -81.81 -62.35 1.66 Allowed 'General case' 0 C--N 1.365 1.267 0 C-N-CA 127.103 2.161 . . . . 0.0 105.575 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -102.07 122.57 44.37 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 130.798 3.639 . . . . 0.0 105.326 176.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . 0.463 12.9 mmm180 -70.19 -61.32 1.82 Allowed 'General case' 0 C--N 1.369 1.449 0 CA-C-O 114.473 -2.68 . . . . 0.0 116.079 -176.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.52 HH11 " H4'" ' A' ' 21' ' ' ' G' 0.711 0.3 OUTLIER -62.58 117.41 31.1 Favored Pre-proline 0 C--N 1.399 2.746 0 CA-C-N 123.512 2.869 . . . . 0.0 110.761 178.716 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -67.67 173.75 8.53 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.265 2.643 . . . . 0.0 115.276 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.451 ' CZ ' ' C8 ' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -63.68 128.92 37.97 Favored 'General case' 0 CA--C 1.473 -1.987 1 C-N-CA 133.147 4.579 . . . . 0.0 107.711 -176.632 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -27.29 -50.41 0.05 Allowed 'General case' 0 N--CA 1.424 -1.747 0 C-N-CA 129.694 3.198 . . . . 0.0 118.415 -176.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 51.1 m -48.82 -26.44 2.4 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 130.253 3.421 . . . . 0.0 117.912 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . 0.279 3.3 pm0 -87.94 -36.71 16.95 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 126.413 1.885 . . . . 0.0 113.661 -177.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -66.66 90.82 0.17 Allowed 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 130.871 3.668 . . . . 0.0 108.281 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -95.04 117.11 29.61 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 128.922 2.889 . . . . 0.0 108.422 -176.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . 0.455 HH22 HH12 ' B' ' 107' ' ' ARG . 79.6 mmt-85 -100.4 -54.37 0.16 Allowed Pre-proline 0 C--N 1.366 1.312 0 CA-C-O 115.587 -2.149 . . . . 0.0 111.817 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo . . . . . 0 C--O 1.263 1.77 0 C-N-CA 123.063 2.508 . . . . 0.0 113.673 178.405 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . 0.43 ' H8 ' HO5' ' A' ' 1' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.546 2.773 0 O5'-C5'-C4' 113.787 2.562 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.724 1 O4'-C1'-N19 112.64 4.44 . 0.628 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.903 1 N19-C1'-C2' 122.187 5.492 . 0.633 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.425 ' C5 ' ' NH1' ' B' ' 109' ' ' ARG . . . . . . . . 0 C5'--C4' 1.539 2.249 1 O4'-C1'-N19 114.583 6.383 . 0.658 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . 0.429 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 C5'--C4' 1.544 2.641 2 P-O3'-C3' 128.763 7.553 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.835 1 O4'-C1'-N19 112.828 4.628 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.429 3 C3'-C2'-C1' 106.409 5.454 . 0.089 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 0.499 ' C8 ' ' C5 ' ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.544 2.635 2 N19-C1'-C2' 122.405 5.628 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.499 ' C5 ' ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.565 3.742 0 C5'-C4'-C3' 110.186 -3.543 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.606 1.294 4 C5'-C4'-C3' 123.662 5.441 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.485 ' C5 ' ' C4 ' ' A' ' 12' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.559 3.78 0 C5'-C4'-O4' 113.989 3.42 . 0.459 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ' C' . . . . . 0.485 ' C4 ' ' C5 ' ' A' ' 11' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.45 3.006 1 O4'-C1'-N19 114.976 6.776 . 0.558 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.13 0 P-O3'-C3' 123.852 3.46 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.559 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.545 1.8 2 C5'-C4'-C3' 121.722 4.148 OUTLIER-EPSILON 0.093 1g . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.559 ' C8 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 1 C2'--C1' 1.58 5.156 5 P-O3'-C3' 136.022 13.602 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.763 1 P-O3'-C3' 135.701 13.334 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . 0.533 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.564 4.143 0 C1'-O4'-C4' 112.36 3.067 OUTLIER-DELTA 0.077 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ' U' . . . . . 0.533 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.735 1 P-O3'-C3' 126.587 5.739 . 0.026 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ' A' . . . . . 0.448 " H3'" ' HG3' ' B' ' 106' ' ' ARG . . . . . . . . 0 C5'--C4' 1.547 2.824 1 N19-C1'-C2' 124.222 6.764 OUTLIER-EPSILON 0.139 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.985 2 P-O3'-C3' 134.521 12.351 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ' G' . . . . . 0.558 " H4'" HH11 ' B' ' 107' ' ' ARG . . . . . . . . 0 C2'--C1' 1.492 -3.571 2 O5'-C5'-C4' 120.805 7.575 . 0.048 7p . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.55 2.249 1 P-O3'-C3' 125.415 4.763 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.309 1 P-O3'-C3' 126.778 5.898 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.994 0 C5'-C4'-C3' 111.659 -2.56 . 0.81 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.091 3 O4'-C1'-N19 113.798 5.598 . 0.064 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.882 1 O4'-C1'-N19 113.84 5.64 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ' A' . . . . . 0.451 " H3'" ' C5 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.553 3.304 1 P-O3'-C3' 126.412 5.594 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.451 ' C5 ' " H3'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.559 3.747 0 N19-C1'-C2' 118.383 3.114 . 0.454 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.691 0 O4'-C1'-N19 110.627 2.427 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.843 0 O4'-C1'-N19 111.711 3.511 . 0.667 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.083 0 O4'-C1'-N19 111.902 3.702 . 0.527 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.87 1 P-O3'-C3' 124.966 4.389 . 0.678 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.909 1 P-O3'-C3' 126.231 5.442 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 25.1 mmt . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.19 -0.909 . . . . 0.0 112.23 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -67.3 -37.0 19.1 Favored 'Trans proline' 0 C--N 1.372 1.763 0 CA-C-O 117.993 -0.919 . . . . 0.0 113.792 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.07 149.21 21.64 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 127.843 2.457 . . . . 0.0 111.26 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 46.5 m -90.84 -67.65 0.84 Allowed 'General case' 0 C--N 1.364 1.236 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 177.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -62.84 129.83 42.16 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 127.963 2.505 . . . . 0.0 112.323 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.448 ' HG3' " H3'" ' A' ' 19' ' ' ' A' . 18.7 mmt180 -83.69 -68.61 0.7 Allowed 'General case' 0 C--N 1.366 1.311 0 CA-C-O 115.831 -2.033 . . . . 0.0 113.993 -177.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.558 HH11 " H4'" ' A' ' 21' ' ' ' G' 0.668 0.0 OUTLIER -50.77 114.43 4.68 Favored Pre-proline 0 C--N 1.397 2.662 0 CA-C-N 120.93 1.695 . . . . 0.0 112.009 -176.02 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 107' ' ' ARG . 1.2 Cg_endo -70.46 178.54 4.89 Favored 'Trans proline' 0 C--N 1.351 0.707 0 O-C-N 125.322 2.222 . . . . 0.0 115.081 -174.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.429 ' CZ ' ' C8 ' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -63.36 106.67 0.94 Allowed 'General case' 0 CA--C 1.467 -2.238 1 C-N-CA 134.774 5.23 . . . . 0.0 105.396 -176.722 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' ARG . . . . . 0.497 HH22 ' HB2' ' B' ' 114' ' ' LYS . 2.2 tpm_? -11.66 -61.28 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.505 1 C-N-CA 132.306 4.242 . . . . 0.0 116.062 -177.877 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 59.6 m -38.59 -37.23 0.3 Allowed 'General case' 0 C--N 1.365 1.267 0 C-N-CA 128.026 2.53 . . . . 0.0 117.723 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -26.25 57.7 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 129.719 3.208 . . . . 0.0 116.35 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.521 ' HA ' ' C4 ' ' A' ' 21' ' ' ' G' . 18.5 mtm180 -73.3 -107.44 0.01 OUTLIER 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 126.204 1.802 . . . . 0.0 111.503 -169.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' LYS . . . . . 0.497 ' HB2' HH22 ' B' ' 110' ' ' ARG . 29.3 mmtp -71.45 107.13 4.21 Favored 'General case' 0 N--CA 1.423 -1.783 0 C-N-CA 129.025 2.93 . . . . 0.0 110.322 -177.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -97.24 140.51 22.09 Favored Pre-proline 0 C--N 1.364 1.208 0 C-N-CA 126.937 2.095 . . . . 0.0 110.559 -178.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo . . . . . 0 C--O 1.263 1.732 0 C-N-CA 120.725 0.95 . . . . 0.0 111.516 179.712 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.81 0 O5'-C5'-C4' 114.178 2.842 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.705 0 O4'-C1'-N19 111.614 3.414 . 0.457 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.043 1 N19-C1'-C2' 121.351 4.969 . 0.855 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.805 1 O4'-C1'-N19 114.212 6.012 . 0.733 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . 0.446 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 P--O3' 1.572 -2.939 2 P-O3'-C3' 129.45 8.125 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.669 0 O4'-C1'-N19 111.797 3.597 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.282 3 P-O3'-C3' 125.647 4.956 . 0.249 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 0.625 HO2' " H5'" ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.55 3.085 2 O4'-C1'-N19 113.386 5.186 . 0.326 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.625 " H5'" HO2' ' A' ' 8' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.569 4.556 1 O4'-C1'-N19 112.341 4.141 . 0.569 1b . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.433 1.507 2 C5'-C4'-C3' 122.999 4.999 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.447 ' C5 ' ' C4 ' ' A' ' 12' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.556 3.539 0 C5'-C4'-O4' 113.46 3.043 . 0.604 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ' C' . . . . . 0.447 ' C4 ' ' C5 ' ' A' ' 11' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.454 3.298 1 O4'-C1'-N19 115.791 7.591 OUTLIER-EPSILON 0.227 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.611 HO2' ' H6 ' ' A' ' 14' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.485 2.627 1 P-O3'-C3' 133.67 11.641 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.611 ' H6 ' HO2' ' A' ' 13' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.57 4.641 2 C4'-C3'-C2' 97.577 -5.123 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.449 ' C8 ' " O2'" ' A' ' 14' ' ' ' C' . . . . . . . . 1 C2'--C1' 1.583 5.523 5 O4'-C1'-N19 98.58 -9.62 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.606 1 P-O3'-C3' 132.338 10.532 . 0.015 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . 0.455 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.565 4.261 0 C5'-C4'-C3' 110.355 -3.43 OUTLIER-DELTA 0.071 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ' U' . . . . . 0.455 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.557 3.594 2 P-O3'-C3' 126.221 5.434 . 0.02 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ' A' . . . . . 0.466 ' C5 ' ' C5 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.544 2.638 1 N19-C1'-C2' 120.059 4.162 . 0.419 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . 0.721 HO2' H5'' ' A' ' 21' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.56 3.207 1 O4'-C1'-N19 113.017 4.817 . 0.274 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ' G' . . . . . 0.721 H5'' HO2' ' A' ' 20' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.545 2.661 3 O5'-C5'-C4' 120.849 7.607 . 0.074 7p . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.569 -3.187 1 P-O3'-C3' 124.92 4.35 . 0.016 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.769 0 P-O3'-C3' 123.365 3.054 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . 0.552 HO2' " C5'" ' A' ' 25' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.551 3.157 2 P-O3'-C3' 134.732 12.526 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . 0.552 " C5'" HO2' ' A' ' 24' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.561 3.937 3 P-O3'-C3' 129.213 7.927 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.252 3 P-O3'-C3' 127.45 6.458 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ' A' . . . . . 0.455 " H3'" ' C6 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.535 1.94 2 P-O3'-C3' 127.298 6.331 . 0.062 5n . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.455 ' C6 ' " H3'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.562 3.989 0 N19-C1'-C2' 118.129 2.955 . 0.477 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.78 0 N19-C1'-C2' 118.178 2.987 . 0.635 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.946 0 O4'-C1'-N19 111.571 3.371 . 0.437 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.156 0 O4'-C1'-N19 111.917 3.717 . 0.423 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.844 1 O4'-C1'-N19 112.266 4.066 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.832 1 P-O3'-C3' 127.309 6.341 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 54.3 tpp . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 117.502 -1.237 . . . . 0.0 111.513 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -64.98 158.46 51.46 Favored 'Trans proline' 0 C--N 1.373 1.854 0 CA-C-N 120.535 1.227 . . . . 0.0 114.239 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -63.56 148.23 49.35 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.8 2.04 . . . . 0.0 112.399 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 8.5 p -58.38 130.11 45.2 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 127.472 2.309 . . . . 0.0 115.105 -176.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -108.37 -123.66 0.25 Allowed 'General case' 0 C--N 1.359 1.011 0 C-N-CA 128.469 2.707 . . . . 0.0 108.351 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.586 ' HG3' ' C6 ' ' A' ' 20' ' ' ' C' . 0.0 OUTLIER 178.31 -82.09 0.0 OUTLIER 'General case' 0 C--N 1.383 2.065 0 C-N-CA 126.126 1.77 . . . . 0.0 112.539 -176.855 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.579 ' H ' ' CD ' ' B' ' 106' ' ' ARG 0.433 0.0 OUTLIER -57.37 115.21 10.0 Favored Pre-proline 0 C--N 1.386 2.192 0 C-N-CA 131.493 3.917 . . . . 0.0 107.798 -177.222 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . 0.514 ' HD2' ' C8 ' ' A' ' 21' ' ' ' G' . 7.7 Cg_exo -68.42 -179.09 2.12 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 O-C-N 124.722 1.906 . . . . 0.0 114.468 -175.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.446 ' CZ ' ' C8 ' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -67.89 102.87 1.33 Allowed 'General case' 0 CA--C 1.477 -1.858 1 C-N-CA 135.478 5.511 . . . . 0.0 102.872 -177.443 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -10.53 -48.2 0.0 OUTLIER 'General case' 0 N--CA 1.419 -2.005 1 C-N-CA 133.333 4.653 . . . . 0.0 118.821 -176.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 49.5 m -41.35 -28.38 0.11 Allowed 'General case' 0 C--N 1.366 1.314 0 C-N-CA 130.473 3.509 . . . . 0.0 115.948 176.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.0 -60.58 2.2 Favored 'General case' 0 N--CA 1.43 -1.445 1 C-N-CA 133.7 4.8 . . . . 0.0 110.832 -179.63 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -61.46 101.54 0.18 Allowed 'General case' 0 N--CA 1.43 -1.47 1 C-N-CA 132.335 4.254 . . . . 0.0 109.785 -172.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -102.1 110.71 22.75 Favored 'General case' 0 N--CA 1.422 -1.868 0 CA-C-N 111.115 -2.766 . . . . 0.0 106.644 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -92.28 150.19 39.77 Favored Pre-proline 0 C--N 1.364 1.238 0 C-N-CA 127.284 2.234 . . . . 0.0 110.748 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo . . . . . 0 C--N 1.373 1.823 0 C-N-CA 120.767 0.978 . . . . 0.0 111.283 179.041 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 . . . . . 0 N--CA 1.449 -0.501 0 CA-C-O 116.2 -1.857 . . . . 0.0 111.555 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . 0.502 0.1 OUTLIER -60.64 126.3 84.71 Favored Pre-proline 0 C--N 1.393 2.486 0 CA-C-N 121.313 1.869 . . . . 0.0 109.997 -179.296 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -81.79 -177.04 3.33 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 O-C-N 124.631 1.858 . . . . 0.0 115.71 -169.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.3 106.42 1.35 Allowed 'General case' 0 CA--C 1.474 -1.956 1 C-N-CA 131.711 4.004 . . . . 0.0 105.35 -178.311 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -13.46 -49.06 0.0 OUTLIER 'General case' 0 N--CA 1.426 -1.674 1 C-N-CA 133.626 4.771 . . . . 0.0 116.309 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 52.7 m -42.71 -30.93 0.41 Allowed 'General case' 0 C--N 1.364 1.207 0 C-N-CA 130.209 3.404 . . . . 0.0 116.357 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -79.23 -44.56 21.56 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 130.81 3.644 . . . . 0.0 113.069 -177.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 . . . . . 0 N--CA 1.434 -1.239 0 C-N-CA 130.899 3.679 . . . . 0.0 107.377 -177.429 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . 0.329 0.0 OUTLIER . . . . . 0 C--O 1.236 0.342 0 CA-C-O 116.032 -1.937 . . . . 0.0 115.927 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 107' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' B' ' 108' ' ' PRO 0.593 0.8 OUTLIER -57.79 115.13 10.03 Favored Pre-proline 0 C--N 1.392 2.454 0 CA-C-N 121.894 2.134 . . . . 0.0 110.579 -179.36 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' B' B ' 108' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 107' ' ' ARG . 5.7 Cg_endo -68.83 170.16 16.06 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.328 2.019 . . . . 0.0 116.259 -173.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.75 112.09 1.69 Allowed 'General case' 0 CA--C 1.468 -2.182 0 C-N-CA 131.698 3.999 . . . . 0.0 107.706 -177.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -14.81 -52.86 0.0 OUTLIER 'General case' 0 N--CA 1.414 -2.24 1 C-N-CA 133.857 4.863 . . . . 0.0 116.532 -178.262 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 70.0 m -40.79 -35.7 0.53 Allowed 'General case' 0 C--N 1.364 1.21 0 C-N-CA 129.285 3.034 . . . . 0.0 115.509 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -48.79 16.79 Favored 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 130.526 3.531 . . . . 0.0 111.577 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.426 -1.666 0 C-N-CA 128.23 2.612 . . . . 0.0 108.61 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . 0.39 0.1 OUTLIER . . . . . 0 C--O 1.238 0.461 0 CA-C-O 115.348 -2.263 . . . . 0.0 116.484 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . 0.559 0.0 OUTLIER -59.61 122.18 62.81 Favored Pre-proline 0 C--N 1.396 2.616 0 CA-C-N 122.669 2.486 . . . . 0.0 110.029 -179.256 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -78.49 179.63 6.31 Favored 'Trans proline' 0 C--N 1.351 0.666 0 N-CA-C 117.729 2.165 . . . . 0.0 117.729 -171.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.84 108.3 2.49 Favored 'General case' 0 CA--C 1.481 -1.684 1 C-N-CA 135.38 5.472 . . . . 0.0 103.558 179.611 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -20.45 -44.29 0.0 OUTLIER 'General case' 0 N--CA 1.416 -2.147 1 C-N-CA 132.156 4.182 . . . . 0.0 120.352 -175.421 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 69.2 m -46.0 -25.45 0.56 Allowed 'General case' 0 C--N 1.361 1.092 0 C-N-CA 129.627 3.171 . . . . 0.0 115.863 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -85.93 -51.73 6.18 Favored 'General case' 0 N--CA 1.433 -1.316 0 C-N-CA 130.289 3.436 . . . . 0.0 110.404 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . 0.258 2.7 ptt180 . . . . . 0 N--CA 1.426 -1.66 0 C-N-CA 126.817 2.047 . . . . 0.0 109.064 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 . . . . . 0 C--O 1.237 0.414 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . 0.579 0.0 OUTLIER -54.04 124.25 44.15 Favored Pre-proline 0 C--N 1.388 2.271 0 CA-C-N 121.454 1.934 . . . . 0.0 112.476 -177.798 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -75.0 179.8 5.73 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 122.243 1.962 . . . . 0.0 116.881 -173.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.7 104.92 1.13 Allowed 'General case' 0 CA--C 1.47 -2.124 1 C-N-CA 131.789 4.036 . . . . 0.0 106.56 -177.857 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 110' ' ' ARG . . . . . 0.54 HH21 ' HB2' ' B' ' 113' ' ' ARG . 4.8 tpm_? -12.39 -52.87 0.0 OUTLIER 'General case' 0 N--CA 1.418 -2.047 1 C-N-CA 132.609 4.364 . . . . 0.0 117.478 -178.313 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 60.9 m -43.19 -30.6 0.49 Allowed 'General case' 0 C--N 1.366 1.286 0 C-N-CA 129.67 3.188 . . . . 0.0 116.338 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -76.84 -49.48 15.67 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 130.981 3.712 . . . . 0.0 110.647 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.54 ' HB2' HH21 ' B' ' 110' ' ' ARG . 3.9 mtm180 . . . . . 0 N--CA 1.428 -1.569 0 C-N-CA 129.671 3.188 . . . . 0.0 106.515 -177.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . 0.311 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . 0.524 0.0 OUTLIER -59.13 120.71 49.78 Favored Pre-proline 0 C--N 1.389 2.295 0 CA-C-N 121.225 1.83 . . . . 0.0 109.72 -179.129 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -73.17 173.57 13.47 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.608 2.205 . . . . 0.0 116.447 -171.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.26 101.75 0.09 Allowed 'General case' 0 CA--C 1.468 -2.2 1 C-N-CA 131.846 4.058 . . . . 0.0 105.356 -178.376 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -10.69 -56.69 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.495 1 C-N-CA 133.151 4.581 . . . . 0.0 115.7 -176.917 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 33.4 m -33.62 -38.75 0.05 Allowed 'General case' 0 C--N 1.358 0.958 0 C-N-CA 128.966 2.906 . . . . 0.0 117.53 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.83 -41.8 78.07 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 131.375 3.87 . . . . 0.0 115.975 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . 0.448 4.8 ptt180 . . . . . 0 N--CA 1.426 -1.647 0 N-CA-C 119.05 2.981 . . . . 0.0 119.05 -169.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 . . . . . 0 C--O 1.235 0.301 0 CA-C-O 115.841 -2.028 . . . . 0.0 115.196 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . 0.621 0.1 OUTLIER -52.15 116.84 9.04 Favored Pre-proline 0 C--N 1.397 2.655 0 CA-C-N 121.906 2.139 . . . . 0.0 111.874 -176.834 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -69.3 174.5 9.02 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.035 1.823 . . . . 0.0 115.322 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.22 110.18 1.33 Allowed 'General case' 0 CA--C 1.468 -2.19 0 C-N-CA 131.485 3.914 . . . . 0.0 107.481 -177.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 110' ' ' ARG . . . . . 0.434 ' C ' ' HE ' ' B' ' 110' ' ' ARG . 0.0 OUTLIER -8.57 -60.4 0.0 OUTLIER 'General case' 0 N--CA 1.412 -2.349 1 C-N-CA 133.964 4.906 . . . . 0.0 115.637 -178.546 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 47.4 m -35.76 -39.53 0.15 Allowed 'General case' 0 C--N 1.363 1.184 0 C-N-CA 130.76 3.624 . . . . 0.0 116.694 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -26.03 40.97 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 131.43 3.892 . . . . 0.0 117.428 -177.281 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 . . . . . 0 N--CA 1.423 -1.811 0 C-N-CA 126.346 1.858 . . . . 0.0 111.903 -169.735 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 . . . . . 0 CA--C 1.507 -0.693 0 CA-C-O 116.088 -1.91 . . . . 0.0 113.108 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . 0.536 0.0 OUTLIER -61.22 116.76 21.05 Favored Pre-proline 0 C--N 1.392 2.451 0 CA-C-N 121.004 1.729 . . . . 0.0 108.901 -178.771 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -75.3 179.33 6.26 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.461 2.108 . . . . 0.0 117.445 -170.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.13 106.29 0.83 Allowed 'General case' 0 CA--C 1.48 -1.721 1 C-N-CA 133.458 4.703 . . . . 0.0 103.712 179.096 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -18.32 -43.98 0.0 OUTLIER 'General case' 0 N--CA 1.415 -2.224 1 C-N-CA 132.598 4.359 . . . . 0.0 120.469 -175.29 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 67.5 m -44.83 -25.63 0.32 Allowed 'General case' 0 C--N 1.36 1.042 0 C-N-CA 129.73 3.212 . . . . 0.0 116.117 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -84.38 -54.23 4.92 Favored 'General case' 0 N--CA 1.429 -1.523 0 C-N-CA 130.908 3.683 . . . . 0.0 110.246 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . 0.275 6.3 ptt180 . . . . . 0 N--CA 1.422 -1.833 0 CA-C-O 124.979 2.323 . . . . 0.0 109.729 -178.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . 0.258 21.8 mmm180 . . . . . 0 C--O 1.235 0.325 0 CA-C-O 116.106 -1.902 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 107' ' ' ARG . . . . . 0.407 ' HA ' ' HD3' ' B' ' 108' ' ' PRO 0.605 0.0 OUTLIER -35.26 122.71 0.61 Allowed Pre-proline 0 C--N 1.392 2.455 0 N-CA-C 116.686 2.106 . . . . 0.0 116.686 -177.197 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' B' B ' 108' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 107' ' ' ARG . 10.3 Cg_endo -71.02 174.34 10.74 Favored 'Trans proline' 0 C--N 1.364 1.379 0 O-C-N 124.709 1.899 . . . . 0.0 114.749 -174.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.07 106.26 1.02 Allowed 'General case' 0 CA--C 1.464 -2.342 1 C-N-CA 132.936 4.494 . . . . 0.0 106.016 -176.378 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 110' ' ' ARG . . . . . 0.502 ' C ' ' HE ' ' B' ' 110' ' ' ARG . 0.7 OUTLIER -9.21 -60.54 0.0 OUTLIER 'General case' 0 N--CA 1.406 -2.669 1 C-N-CA 133.344 4.658 . . . . 0.0 115.879 -178.977 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 69.8 m -40.69 -35.9 0.54 Allowed 'General case' 0 C--N 1.361 1.098 0 N-CA-C 117.8 2.518 . . . . 0.0 117.8 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -32.03 68.32 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 129.081 2.952 . . . . 0.0 115.024 -178.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . 0.26 11.3 mtm180 . . . . . 0 N--CA 1.425 -1.706 0 C-N-CA 127.792 2.437 . . . . 0.0 113.571 -170.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 . . . . . 0 N--CA 1.446 -0.673 0 CA-C-O 115.718 -2.087 . . . . 0.0 113.896 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . 0.609 0.3 OUTLIER -53.28 123.74 36.46 Favored Pre-proline 0 C--N 1.395 2.582 0 CA-C-N 121.99 2.177 . . . . 0.0 113.234 -176.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -74.34 176.68 9.32 Favored 'Trans proline' 0 C--N 1.358 1.053 0 O-C-N 124.325 1.697 . . . . 0.0 116.142 -174.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 103.28 0.59 Allowed 'General case' 0 CA--C 1.465 -2.291 1 C-N-CA 135.625 5.57 . . . . 0.0 105.461 -176.586 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 110' ' ' ARG . . . . . 0.572 HH21 ' HB2' ' B' ' 113' ' ' ARG . 3.8 tpm_? -15.69 -50.4 0.0 OUTLIER 'General case' 0 N--CA 1.421 -1.879 1 C-N-CA 131.859 4.064 . . . . 0.0 117.108 -177.532 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 49.8 m -42.54 -30.76 0.38 Allowed 'General case' 0 C--N 1.364 1.222 0 C-N-CA 130.041 3.336 . . . . 0.0 116.031 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.22 -52.01 8.25 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 131.112 3.765 . . . . 0.0 109.939 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.572 ' HB2' HH21 ' B' ' 110' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.425 -1.716 0 C-N-CA 129.172 2.989 . . . . 0.0 107.187 -177.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . 0.463 12.9 mmm180 . . . . . 0 C--O 1.24 0.554 0 CA-C-O 114.473 -2.68 . . . . 0.0 116.079 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . 0.711 0.3 OUTLIER -62.58 117.41 31.1 Favored Pre-proline 0 C--N 1.399 2.746 0 CA-C-N 123.512 2.869 . . . . 0.0 110.761 178.716 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -67.67 173.75 8.53 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.265 2.643 . . . . 0.0 115.276 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 128.92 37.97 Favored 'General case' 0 CA--C 1.473 -1.987 1 C-N-CA 133.147 4.579 . . . . 0.0 107.711 -176.632 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -27.29 -50.41 0.05 Allowed 'General case' 0 N--CA 1.424 -1.747 0 C-N-CA 129.694 3.198 . . . . 0.0 118.415 -176.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 51.1 m -48.82 -26.44 2.4 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 130.253 3.421 . . . . 0.0 117.912 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . 0.279 3.3 pm0 -87.94 -36.71 16.95 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 126.413 1.885 . . . . 0.0 113.661 -177.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 . . . . . 0 N--CA 1.438 -1.033 0 C-N-CA 130.871 3.668 . . . . 0.0 108.281 -177.489 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 . . . . . 0 N--CA 1.445 -0.693 0 CA-C-O 115.831 -2.033 . . . . 0.0 113.993 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . 0.668 0.0 OUTLIER -50.77 114.43 4.68 Favored Pre-proline 0 C--N 1.397 2.662 0 CA-C-N 120.93 1.695 . . . . 0.0 112.009 -176.02 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -70.46 178.54 4.89 Favored 'Trans proline' 0 C--N 1.351 0.707 0 O-C-N 125.322 2.222 . . . . 0.0 115.081 -174.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.36 106.67 0.94 Allowed 'General case' 0 CA--C 1.467 -2.238 1 C-N-CA 134.774 5.23 . . . . 0.0 105.396 -176.722 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 110' ' ' ARG . . . . . 0.446 ' C ' ' HE ' ' B' ' 110' ' ' ARG . 2.2 tpm_? -11.66 -61.28 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.505 1 C-N-CA 132.306 4.242 . . . . 0.0 116.062 -177.877 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 59.6 m -38.59 -37.23 0.3 Allowed 'General case' 0 C--N 1.365 1.267 0 C-N-CA 128.026 2.53 . . . . 0.0 117.723 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -26.25 57.7 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 129.719 3.208 . . . . 0.0 116.35 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 . . . . . 0 N--CA 1.42 -1.964 0 C-N-CA 126.204 1.802 . . . . 0.0 111.503 -169.416 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.605 ' CD ' ' H ' ' B' ' 107' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.866 0 CA-C-O 118.813 -0.613 . . . . 0.0 112.539 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 107' ' ' ARG . . . . . 0.605 ' H ' ' CD ' ' B' ' 106' ' ' ARG 0.433 0.0 OUTLIER -57.37 115.21 10.0 Favored Pre-proline 0 C--N 1.386 2.192 0 C-N-CA 131.493 3.917 . . . . 0.0 107.798 -177.222 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' B' B ' 108' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 107' ' ' ARG . 7.7 Cg_exo -68.42 -179.09 2.12 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 O-C-N 124.722 1.906 . . . . 0.0 114.468 -175.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.89 102.87 1.33 Allowed 'General case' 0 CA--C 1.477 -1.858 1 C-N-CA 135.478 5.511 . . . . 0.0 102.872 -177.443 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 110' ' ' ARG . . . . . 0.423 HH21 ' HB2' ' B' ' 113' ' ' ARG . 4.6 tpm_? -10.53 -48.2 0.0 OUTLIER 'General case' 0 N--CA 1.419 -2.005 1 C-N-CA 133.333 4.653 . . . . 0.0 118.821 -176.85 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 49.5 m -41.35 -28.38 0.11 Allowed 'General case' 0 C--N 1.366 1.314 0 C-N-CA 130.473 3.509 . . . . 0.0 115.948 176.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.0 -60.58 2.2 Favored 'General case' 0 N--CA 1.43 -1.445 1 C-N-CA 133.7 4.8 . . . . 0.0 110.832 -179.63 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.423 ' HB2' HH21 ' B' ' 110' ' ' ARG . 7.8 mtm180 . . . . . 0 N--CA 1.43 -1.47 1 C-N-CA 132.335 4.254 . . . . 0.0 109.785 -172.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.925 0 C1'-O4'-C4' 110.791 1.324 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.445 2.621 1 O4'-C1'-N19 113.336 5.136 . 0.731 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . 0.418 " H2'" ' C6 ' ' A' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.446 2.657 1 N19-C1'-C2' 121.914 5.322 . 0.799 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.418 ' C6 ' " H2'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.454 3.356 1 O4'-C1'-N19 113.836 5.636 OUTLIER-EPSILON 0.422 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . 0.454 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 P--O3' 1.567 -3.339 2 P-O3'-C3' 136.632 14.11 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.79 1 O4'-C1'-N19 112.582 4.382 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.818 3 P-O3'-C3' 125.31 4.675 . 0.365 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.946 1 O4'-C1'-N19 113.314 5.114 . 0.732 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . 0.518 HO2' ' H6 ' ' A' ' 10' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.566 4.276 0 O4'-C1'-N19 111.571 3.371 . 0.644 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ' U' . . . . . 0.518 ' H6 ' HO2' ' A' ' 9' ' ' ' G' . . . . . . . . 0 P--O3' 1.592 -1.274 2 C5'-C4'-C3' 122.119 4.413 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.466 ' C5 ' ' C4 ' ' A' ' 12' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.557 3.62 0 O4'-C1'-N19 111.411 3.211 . 0.589 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ' C' . . . . . 0.466 ' C4 ' ' C5 ' ' A' ' 11' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.452 3.141 1 O4'-C1'-N19 114.949 6.749 . 0.647 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.342 0 C5'-C4'-O4' 113.598 3.141 . 0.87 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.643 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.551 2.352 0 N19-C1'-C2' 119.752 3.97 OUTLIER-EPSILON 0.104 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . 0.643 ' C8 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 1 C2'--C1' 1.586 5.833 4 P-O3'-C3' 134.392 12.243 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . 0.498 ' C8 ' " H1'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.707 2 P-O3'-C3' 130.778 9.232 . 0.065 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . 0.51 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.565 4.243 0 C5'-C4'-C3' 110.647 -3.235 OUTLIER-DELTA 0.104 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ' U' . . . . . 0.51 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.56 3.873 2 P-O3'-C3' 126.126 5.355 . 0.037 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ' A' . . . . . 0.521 ' C5 ' ' C5 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.544 2.607 1 N19-C1'-C2' 121.379 4.987 . 0.244 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . 0.521 ' C5 ' ' C5 ' ' A' ' 19' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.707 2 P-O3'-C3' 131.676 9.98 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ' G' . . . . . 0.605 " H4'" HH11 ' B' ' 107' ' ' ARG . . . . . . . . 0 C2'--C1' 1.499 -2.882 3 O5'-C5'-C4' 121.743 8.245 . 0.015 7p . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.756 1 C1'-O4'-C4' 105.867 -4.147 . 0.02 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.558 3.698 1 O4'-C1'-N19 113.16 4.96 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.515 1 P-O3'-C3' 135.55 13.209 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.534 2 O4'-C1'-N19 112.973 4.773 . 0.075 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.941 2 O4'-C1'-N19 114.973 6.773 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.153 1 P-O3'-C3' 127.556 6.547 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.557 3.585 1 O4'-C1'-N19 113.584 5.384 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.056 0 N19-C1'-C2' 117.705 2.691 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.569 0 O4'-C1'-N19 111.706 3.506 . 0.498 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.052 0 O4'-C1'-N19 111.85 3.65 . 0.553 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.638 0 P-O3'-C3' 123.426 3.105 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.844 0 C5'-C4'-O4' 113.32 2.943 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 57.2 ttm . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -66.91 175.15 5.78 Favored 'Trans proline' 0 C--N 1.371 1.738 0 C-N-CA 121.256 1.304 . . . . 0.0 113.761 178.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -59.98 144.84 48.16 Favored 'General case' 0 C--N 1.37 1.496 0 C-N-CA 126.977 2.111 . . . . 0.0 111.522 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . 0.325 6.2 t -83.35 128.27 34.37 Favored 'General case' 0 C--N 1.367 1.356 0 CA-C-O 123.348 1.547 . . . . 0.0 110.021 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -108.32 170.97 7.68 Favored 'General case' 0 N--CA 1.434 -1.232 0 C-N-CA 130.68 3.592 . . . . 0.0 113.313 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.447 ' HE ' " H5'" ' A' ' 19' ' ' ' A' . 22.1 tpp180 -124.33 -69.8 0.79 Allowed 'General case' 0 C--N 1.373 1.611 0 CA-C-O 116.2 -1.857 . . . . 0.0 111.555 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.605 HH11 " H4'" ' A' ' 21' ' ' ' G' 0.502 0.1 OUTLIER -60.64 126.3 84.71 Favored Pre-proline 0 C--N 1.393 2.486 0 CA-C-N 121.313 1.869 . . . . 0.0 109.997 -179.296 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -81.79 -177.04 3.33 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 O-C-N 124.631 1.858 . . . . 0.0 115.71 -169.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.454 ' CZ ' ' C8 ' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -65.3 106.42 1.35 Allowed 'General case' 0 CA--C 1.474 -1.956 1 C-N-CA 131.711 4.004 . . . . 0.0 105.35 -178.311 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -13.46 -49.06 0.0 OUTLIER 'General case' 0 N--CA 1.426 -1.674 1 C-N-CA 133.626 4.771 . . . . 0.0 116.309 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 52.7 m -42.71 -30.93 0.41 Allowed 'General case' 0 C--N 1.364 1.207 0 C-N-CA 130.209 3.404 . . . . 0.0 116.357 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -79.23 -44.56 21.56 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 130.81 3.644 . . . . 0.0 113.069 -177.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -68.12 96.72 0.65 Allowed 'General case' 0 N--CA 1.434 -1.239 0 C-N-CA 130.899 3.679 . . . . 0.0 107.377 -177.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . 0.341 5.9 ttpm? -94.3 -99.71 0.15 Allowed 'General case' 0 N--CA 1.421 -1.882 0 C-N-CA 130.742 3.617 . . . . 0.0 106.126 -176.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -63.33 120.46 62.18 Favored Pre-proline 0 CA--C 1.54 0.59 0 C-N-CA 130.373 3.469 . . . . 0.0 110.089 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo . . . . . 0 C--N 1.371 1.711 0 CA-C-O 117.327 -1.197 . . . . 0.0 110.779 178.085 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.195 0 C4'-C3'-C2' 104.237 1.537 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.489 " H2'" ' H8 ' ' A' ' 3' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.549 3.029 1 O4'-C1'-N19 113.175 4.975 . 0.507 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . 0.489 ' H8 ' " H2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.555 3.466 1 N19-C1'-C2' 121.724 5.202 . 0.805 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.456 3.537 1 O4'-C1'-N19 113.64 5.44 OUTLIER-EPSILON 0.517 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . 0.47 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 P--O3' 1.569 -3.17 2 P-O3'-C3' 135.866 13.472 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.034 0 O4'-C1'-N19 112.066 3.866 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.71 2 C3'-C2'-C1' 106.259 5.287 . 0.288 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . 0.472 ' C8 ' ' C5 ' ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.539 2.259 2 N19-C1'-C2' 121.275 4.922 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . 0.522 HO2' ' H5 ' ' A' ' 10' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.555 3.463 0 O4'-C1'-C2' 101.826 -3.267 . 0.18 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ' U' . . . . . 0.522 ' H5 ' HO2' ' A' ' 9' ' ' ' G' . . . . . . . . 0 P--O3' 1.592 -1.274 3 C5'-C4'-C3' 122.867 4.912 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.56 3.841 0 O4'-C1'-N19 111.179 2.979 . 0.397 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.454 3.333 3 O4'-C1'-N19 114.959 6.759 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.058 0 P-O3'-C3' 123.398 3.082 . 0.92 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.638 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.551 2.335 1 C5'-C4'-C3' 121.601 4.067 OUTLIER-EPSILON 0.082 1g . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . 0.638 ' C8 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 1 C2'--C1' 1.58 5.197 3 P-O3'-C3' 134.33 12.191 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . 0.459 ' C8 ' " H1'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.669 1 P-O3'-C3' 129.34 8.034 . 0.136 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . 0.486 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.565 4.266 0 C5'-C4'-C3' 110.381 -3.412 OUTLIER-DELTA 0.079 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ' U' . . . . . 0.486 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.554 3.392 1 P-O3'-C3' 126.141 5.367 . 0.029 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.484 1 N19-C1'-C2' 125.48 7.55 . 0.065 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.445 2.6 2 O4'-C1'-N19 112.818 4.618 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ' G' . . . . . 0.625 " H4'" HH11 ' B' ' 107' ' ' ARG . . . . . . . . 0 C2'--C1' 1.505 -2.349 3 O5'-C5'-C4' 120.487 7.348 . 0.01 7p . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.575 -2.653 0 N19-C1'-C2' 119.612 3.882 . 0.014 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.557 3.602 1 O4'-C1'-N19 112.338 4.138 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.815 1 P-O3'-C3' 125.957 5.214 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . 0.4 ' C2 ' ' C6 ' ' A' ' 26' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.562 4.027 1 O4'-C1'-N19 112.313 4.113 OUTLIER-EPSILON 0.212 1t . 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ' U' . . . . . 0.4 ' C6 ' ' C2 ' ' A' ' 25' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.546 2.801 2 P-O3'-C3' 137.526 14.855 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ' A' . . . . . 0.433 " H3'" ' C6 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.54 2.286 2 P-O3'-C3' 126.399 5.582 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . 0.433 ' C6 ' " H3'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.559 3.77 1 O4'-C1'-N19 112.623 4.423 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.565 0 N19-C1'-C2' 118.889 3.43 . 0.298 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.484 1 P-O3'-C3' 124.535 4.029 . 0.055 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.935 1 O4'-C1'-N19 112.231 4.031 . 0.434 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.556 2.844 0 P-O3'-C3' 123.664 3.303 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.797 1 P-O3'-C3' 126.96 6.05 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 21.3 ptp . . . . . 0 N--CA 1.495 1.78 0 N-CA-C 114.128 1.159 . . . . 0.0 114.128 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -68.42 158.83 55.98 Favored 'Trans proline' 0 C--N 1.374 1.906 0 CA-C-N 119.836 0.977 . . . . 0.0 112.818 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -93.43 -32.98 14.01 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 127.124 2.17 . . . . 0.0 116.277 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 38.1 p -55.72 158.5 3.53 Favored 'General case' 0 N--CA 1.438 -1.033 1 C-N-CA 133.823 4.849 . . . . 0.0 115.33 -178.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 23.6 tpt85 -75.68 136.09 40.4 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 129.055 2.942 . . . . 0.0 110.314 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . 0.329 0.0 OUTLIER -84.55 -64.75 1.1 Allowed 'General case' 0 C--N 1.374 1.669 0 CA-C-O 116.032 -1.937 . . . . 0.0 115.927 -177.424 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.625 HH11 " H4'" ' A' ' 21' ' ' ' G' 0.593 0.8 OUTLIER -57.79 115.13 10.03 Favored Pre-proline 0 C--N 1.392 2.454 0 CA-C-N 121.894 2.134 . . . . 0.0 110.579 -179.36 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 108' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 107' ' ' ARG . 5.7 Cg_endo -68.83 170.16 16.06 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.328 2.019 . . . . 0.0 116.259 -173.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.47 ' CZ ' ' C8 ' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -59.75 112.09 1.69 Allowed 'General case' 0 CA--C 1.468 -2.182 0 C-N-CA 131.698 3.999 . . . . 0.0 107.706 -177.727 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -14.81 -52.86 0.0 OUTLIER 'General case' 0 N--CA 1.414 -2.24 1 C-N-CA 133.857 4.863 . . . . 0.0 116.532 -178.262 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 70.0 m -40.79 -35.7 0.53 Allowed 'General case' 0 C--N 1.364 1.21 0 C-N-CA 129.285 3.034 . . . . 0.0 115.509 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -48.79 16.79 Favored 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 130.526 3.531 . . . . 0.0 111.577 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.406 ' HA ' ' C4 ' ' A' ' 21' ' ' ' G' . 0.5 OUTLIER -71.97 107.85 4.91 Favored 'General case' 0 N--CA 1.426 -1.666 0 C-N-CA 128.23 2.612 . . . . 0.0 108.61 -177.797 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -92.56 89.08 6.57 Favored 'General case' 0 N--CA 1.426 -1.668 0 N-CA-C 103.391 -2.818 . . . . 0.0 103.391 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -98.12 121.14 58.15 Favored Pre-proline 0 C--N 1.366 1.301 0 C-N-CA 127.082 2.153 . . . . 0.0 108.51 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo . . . . . 0 C--N 1.371 1.747 0 CA-C-O 117.309 -1.205 . . . . 0.0 112.395 178.298 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.258 0 C5'-C4'-O4' 111.824 1.874 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.839 0 O4'-C1'-N19 112.05 3.85 . 0.49 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . 0.469 " H2'" ' C6 ' ' A' ' 4' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.546 2.746 0 N19-C1'-C2' 119.617 3.886 OUTLIER-EPSILON 0.709 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.469 ' C6 ' " H2'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.548 2.907 2 P-O3'-C3' 134.687 12.49 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . 0.451 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 C5'--C4' 1.55 3.111 2 P-O3'-C3' 128.946 7.705 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.922 1 O4'-C1'-N19 112.462 4.262 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.467 2 O4'-C1'-N19 113.015 4.815 . 0.505 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.598 2 O4'-C1'-N19 112.545 4.345 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . 0.551 HO2' ' H6 ' ' A' ' 10' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.561 3.892 0 O4'-C1'-N19 111.916 3.716 . 0.378 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ' U' . . . . . 0.551 ' H6 ' HO2' ' A' ' 9' ' ' ' G' . . . . . . . . 0 C2'--O2' 1.429 1.246 3 C5'-C4'-C3' 122.745 4.83 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.522 0 N19-C1'-C2' 117.896 2.81 . 0.51 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.454 3.301 2 O4'-C1'-N19 114.969 6.769 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.428 0 P-O3'-C3' 123.718 3.348 . 0.929 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.637 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.548 2.1 2 N19-C1'-C2' 121.354 4.971 . 0.075 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . 0.637 ' C8 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 1 C2'--C1' 1.572 4.405 3 O4'-C1'-N19 99.281 -8.919 . 0.0 OUTLIER '7D dist 7r' 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . 0.46 ' C8 ' " H1'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.546 2.742 1 P-O3'-C3' 129.417 8.097 . 0.061 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . 0.586 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.579 5.316 1 O5'-C5'-C4' 119.082 6.344 . 0.318 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ' U' . . . . . 0.586 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.562 4.01 1 P-O3'-C3' 128.336 7.197 . 0.416 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ' A' . . . . . 0.424 ' C5 ' ' C5 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.673 1 N19-C1'-C2' 122.017 5.386 . 0.387 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . 0.424 ' C5 ' ' C5 ' ' A' ' 19' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.554 3.369 1 O4'-C1'-N19 115.35 7.15 . 0.228 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ' G' . . . . . 0.51 " H4'" HH11 ' B' ' 107' ' ' ARG . . . . . . . . 0 C5'--C4' 1.546 2.737 2 O5'-C5'-C4' 120.881 7.629 . 0.01 7p . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.556 2.83 4 P-O3'-C3' 128.248 7.123 . 0.096 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.557 3.64 1 O4'-C1'-N19 112.52 4.32 . 0.127 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.509 1 P-O3'-C3' 125.698 4.999 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.302 2 C3'-C2'-C1' 106.239 5.266 . 0.01 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ' U' . . . . . 0.511 ' H3 ' HH22 ' B' ' 109' ' ' ARG . . . . . . . . 0 C5'--C4' 1.552 3.235 1 O4'-C1'-N19 114.086 5.886 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.463 1 P-O3'-C3' 126.318 5.515 . 0.111 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.561 3.927 0 N19-C1'-C2' 119.62 3.887 . 0.567 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.64 0 P-O3'-C3' 123.22 2.933 . 0.316 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.658 0 O4'-C1'-N19 111.349 3.149 . 0.392 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.035 0 O4'-C1'-N19 111.815 3.615 . 0.475 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.747 1 P-O3'-C3' 124.56 4.05 . 0.437 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.989 1 P-O3'-C3' 125.072 4.477 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 4.8 mpp? . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 115.039 -2.41 . . . . 0.0 112.761 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.66 154.76 70.78 Favored 'Trans proline' 0 C--N 1.375 1.952 0 CA-C-N 123.369 2.239 . . . . 0.0 114.897 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -79.85 -164.54 0.68 Allowed 'General case' 0 C--N 1.365 1.239 0 C-N-CA 127.574 2.35 . . . . 0.0 110.624 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . 0.259 14.7 t -56.78 -55.5 33.46 Favored 'General case' 0 C--N 1.371 1.508 0 C-N-CA 126.748 2.019 . . . . 0.0 112.629 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -100.48 129.35 46.42 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 127.641 2.376 . . . . 0.0 111.08 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . 0.39 0.1 OUTLIER -87.55 -70.7 0.61 Allowed 'General case' 0 C--N 1.378 1.84 0 CA-C-O 115.348 -2.263 . . . . 0.0 116.484 -177.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.51 HH11 " H4'" ' A' ' 21' ' ' ' G' 0.559 0.0 OUTLIER -59.61 122.18 62.81 Favored Pre-proline 0 C--N 1.396 2.616 0 CA-C-N 122.669 2.486 . . . . 0.0 110.029 -179.256 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -78.49 179.63 6.31 Favored 'Trans proline' 0 C--N 1.351 0.666 0 N-CA-C 117.729 2.165 . . . . 0.0 117.729 -171.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.511 HH22 ' H3 ' ' A' ' 26' ' ' ' U' . 0.0 OUTLIER -66.84 108.3 2.49 Favored 'General case' 0 CA--C 1.481 -1.684 1 C-N-CA 135.38 5.472 . . . . 0.0 103.558 179.611 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -20.45 -44.29 0.0 OUTLIER 'General case' 0 N--CA 1.416 -2.147 1 C-N-CA 132.156 4.182 . . . . 0.0 120.352 -175.421 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 69.2 m -46.0 -25.45 0.56 Allowed 'General case' 0 C--N 1.361 1.092 0 C-N-CA 129.627 3.171 . . . . 0.0 115.863 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -85.93 -51.73 6.18 Favored 'General case' 0 N--CA 1.433 -1.316 0 C-N-CA 130.289 3.436 . . . . 0.0 110.404 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . 0.258 2.7 ptt180 -69.98 112.21 6.23 Favored 'General case' 0 N--CA 1.426 -1.66 0 C-N-CA 126.817 2.047 . . . . 0.0 109.064 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -95.37 -13.95 24.27 Favored 'General case' 0 N--CA 1.436 -1.172 0 C-N-CA 131.23 3.812 . . . . 0.0 114.495 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -96.26 162.2 24.46 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 130.055 3.342 . . . . 0.0 110.331 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo . . . . . 0 C--N 1.373 1.858 0 C-N-CA 121.264 1.31 . . . . 0.0 113.217 -179.634 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . 0.457 " H2'" ' C8 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.539 2.247 0 C5'-C4'-O4' 111.608 1.72 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.457 ' C8 ' " H2'" ' A' ' 1' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.547 2.883 0 O4'-C1'-N19 112.067 3.867 . 0.466 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . 0.442 " H2'" ' C6 ' ' A' ' 4' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.551 3.157 1 N19-C1'-C2' 121.962 5.351 . 0.824 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.442 ' C6 ' " H2'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.456 3.541 1 O4'-C1'-N19 113.47 5.27 OUTLIER-EPSILON 0.486 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . 0.448 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 P--O3' 1.566 -3.408 2 P-O3'-C3' 136.397 13.914 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.863 1 O4'-C1'-N19 112.56 4.36 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . 0.456 " H2'" ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.544 2.64 1 C3'-C2'-C1' 105.528 4.475 . 0.367 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . 0.456 ' C8 ' " H2'" ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.547 2.82 2 O4'-C1'-N19 112.999 4.799 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . 0.433 HO2' ' H6 ' ' A' ' 10' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.561 3.926 0 C1'-C2'-O2' 119.093 2.831 . 0.434 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ' U' . . . . . 0.433 ' H6 ' HO2' ' A' ' 9' ' ' ' G' . . . . . . . . 0 P--O3' 1.59 -1.38 3 C5'-C4'-C3' 122.859 4.906 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.461 ' C5 ' ' C4 ' ' A' ' 12' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.557 3.636 0 O4'-C1'-N19 111.715 3.515 . 0.518 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ' C' . . . . . 0.461 ' C4 ' ' C5 ' ' A' ' 11' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.449 2.884 1 O4'-C1'-N19 115.067 6.867 . 0.521 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.084 0 P-O3'-C3' 123.581 3.234 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.645 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.548 2.128 2 N19-C1'-C2' 122.654 5.783 . 0.032 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . 0.645 ' C8 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 1 C2'--C1' 1.582 5.439 4 P-O3'-C3' 130.275 8.813 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . 0.597 ' C8 ' " H1'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.556 3.561 1 P-O3'-C3' 136.069 13.641 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . 0.452 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.565 4.204 0 C2'-C3'-O3' 121.18 3.636 OUTLIER-EPSILON 0.707 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ' U' . . . . . 0.452 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.553 3.333 2 P-O3'-C3' 137.668 14.974 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.68 1 N19-C1'-C2' 124.6 7.0 . 0.142 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.445 2.605 1 O4'-C1'-N19 112.614 4.414 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ' G' . . . . . 0.459 " H4'" HH11 ' B' ' 107' ' ' ARG . . . . . . . . 0 C5'--C4' 1.545 2.656 3 O5'-C5'-C4' 121.667 8.19 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.571 -2.976 0 C1'-O4'-C4' 106.119 -3.868 . 0.022 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.137 0 O4'-C1'-N19 111.86 3.66 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.743 0 O4'-C1'-N19 111.073 2.873 . 0.416 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.008 2 O4'-C1'-N19 113.236 5.036 . 0.046 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ' U' . . . . . 0.468 ' H3 ' HH22 ' B' ' 109' ' ' ARG . . . . . . . . 0 C5'--C4' 1.551 3.142 1 O4'-C1'-N19 115.33 7.13 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.326 1 P-O3'-C3' 127.073 6.144 . 0.108 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.755 0 O4'-C1'-N19 111.181 2.981 . 0.452 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.881 0 O4'-C1'-N19 110.683 2.483 . 0.891 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.05 0 O4'-C1'-N19 111.668 3.468 . 0.639 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.153 0 P-O3'-C3' 123.664 3.304 . 0.495 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.557 2.856 1 P-O3'-C3' 124.957 4.381 . 0.402 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.932 1 P-O3'-C3' 126.014 5.261 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 30.1 mmt . . . . . 0 N--CA 1.496 1.834 0 CA-C-O 118.427 -0.797 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -61.42 -21.3 71.51 Favored 'Trans proline' 0 C--N 1.376 1.99 0 N-CA-C 115.768 1.411 . . . . 0.0 115.768 178.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -83.77 -166.7 1.47 Allowed 'General case' 0 C--N 1.365 1.239 0 C-N-CA 127.893 2.477 . . . . 0.0 109.512 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 5.5 t -57.07 -41.66 79.17 Favored 'General case' 0 C--N 1.372 1.544 0 C-N-CA 128.032 2.533 . . . . 0.0 112.632 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 7.2 tpt85 -67.01 140.66 57.72 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 128.841 2.856 . . . . 0.0 111.709 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -114.77 -64.05 1.37 Allowed 'General case' 0 C--N 1.372 1.545 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -173.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.459 HH11 " H4'" ' A' ' 21' ' ' ' G' 0.579 0.0 OUTLIER -54.04 124.25 44.15 Favored Pre-proline 0 C--N 1.388 2.271 0 CA-C-N 121.454 1.934 . . . . 0.0 112.476 -177.798 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -75.0 179.8 5.73 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 122.243 1.962 . . . . 0.0 116.881 -173.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.468 HH22 ' H3 ' ' A' ' 26' ' ' ' U' . 0.0 OUTLIER -65.7 104.92 1.13 Allowed 'General case' 0 CA--C 1.47 -2.124 1 C-N-CA 131.789 4.036 . . . . 0.0 106.56 -177.857 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ARG . . . . . 0.54 HH21 ' HB2' ' B' ' 113' ' ' ARG . 4.8 tpm_? -12.39 -52.87 0.0 OUTLIER 'General case' 0 N--CA 1.418 -2.047 1 C-N-CA 132.609 4.364 . . . . 0.0 117.478 -178.313 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 60.9 m -43.19 -30.6 0.49 Allowed 'General case' 0 C--N 1.366 1.286 0 C-N-CA 129.67 3.188 . . . . 0.0 116.338 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -76.84 -49.48 15.67 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 130.981 3.712 . . . . 0.0 110.647 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.54 ' HB2' HH21 ' B' ' 110' ' ' ARG . 3.9 mtm180 -69.77 106.54 3.15 Favored 'General case' 0 N--CA 1.428 -1.569 0 C-N-CA 129.671 3.188 . . . . 0.0 106.515 -177.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -94.92 122.99 38.13 Favored 'General case' 0 N--CA 1.421 -1.879 0 C-N-CA 130.365 3.466 . . . . 0.0 107.556 -177.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -94.06 130.77 33.34 Favored Pre-proline 0 C--N 1.358 0.955 0 C-N-CA 127.098 2.159 . . . . 0.0 109.536 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . 2.544 63.0 Cg_endo . . . . . 0 C--O 1.263 1.731 0 CA-C-O 117.296 -1.21 . . . . 0.0 112.229 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.213 0 O4'-C1'-N19 109.656 1.456 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.595 0 O4'-C1'-N19 111.855 3.655 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . 0.455 " H2'" ' C6 ' ' A' ' 4' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.546 2.777 1 N19-C1'-C2' 121.99 5.369 . 0.872 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.455 ' C6 ' " H2'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.456 3.516 1 O4'-C1'-N19 113.541 5.341 OUTLIER-EPSILON 0.478 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . 0.454 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 P--O3' 1.566 -3.439 2 P-O3'-C3' 137.07 14.475 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.562 1 O4'-C1'-N19 113.207 5.007 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . 0.455 " H2'" ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.541 2.408 3 P-O3'-C3' 134.037 11.948 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . 0.562 ' C8 ' ' C5 ' ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.544 2.652 2 N19-C1'-C2' 122.725 5.828 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . 0.562 ' C5 ' ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.566 3.754 0 C5'-C4'-C3' 109.792 -3.806 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ' U' . . . . . 0.542 ' H6 ' HO2' ' A' ' 9' ' ' ' G' . . . . . . . . 0 P--O3' 1.592 -1.253 1 C5'-C4'-C3' 122.383 4.589 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.437 ' C5 ' ' C4 ' ' A' ' 12' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.553 3.319 0 C5'-C4'-O4' 113.066 2.761 . 0.721 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ' C' . . . . . 0.437 ' C4 ' ' C5 ' ' A' ' 11' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.45 2.991 1 O4'-C1'-N19 115.133 6.933 . 0.488 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.3 0 C5'-C4'-O4' 113.359 2.971 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.551 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.546 1.939 1 C5'-C4'-C3' 121.925 4.284 OUTLIER-EPSILON 0.092 1g . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . 0.614 " H1'" ' C8 ' ' A' ' 16' ' ' ' A' . . . . . . . . 1 C2'--C1' 1.579 5.078 5 P-O3'-C3' 136.072 13.643 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . 0.614 ' C8 ' " H1'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.559 3.767 1 P-O3'-C3' 135.755 13.379 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.563 4.092 0 C1'-O4'-C4' 112.321 3.023 . 0.163 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.553 2 P-O3'-C3' 126.279 5.482 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ' A' . . . . . 0.473 " H5'" HH21 ' B' ' 106' ' ' ARG . . . . . . . . 0 C5'--C4' 1.545 2.655 1 N19-C1'-C2' 121.729 5.205 . 0.672 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . 0.472 ' C5 ' ' C5 ' ' A' ' 19' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.547 2.859 2 P-O3'-C3' 130.251 8.793 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ' G' . . . . . 0.569 ' C4 ' ' HB3' ' B' ' 113' ' ' ARG . . . . . . . . 0 C2'--C1' 1.493 -3.542 3 O5'-C5'-C4' 121.117 7.798 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.547 1.91 0 N19-C1'-C2' 119.333 3.708 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 3.057 1 O4'-C1'-N19 112.808 4.608 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.816 1 P-O3'-C3' 134.273 12.144 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.137 1 O4'-C1'-N19 113.312 5.112 . 0.095 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.087 1 O4'-C1'-N19 114.933 6.733 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ' A' . . . . . 0.441 " H3'" ' C6 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.54 2.317 1 N19-C1'-C2' 120.481 4.426 . 0.254 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . 0.441 ' C6 ' " H3'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.556 3.566 1 O4'-C1'-N19 113.557 5.357 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.087 0 O4'-C1'-N19 110.826 2.626 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.819 0 O4'-C1'-N19 111.657 3.457 . 0.67 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.009 0 O4'-C1'-N19 111.581 3.381 . 0.576 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.556 2.766 0 P-O3'-C3' 123.209 2.924 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.691 0 P-O3'-C3' 123.842 3.452 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.1 ttt . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 114.88 -2.486 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -66.96 160.27 47.93 Favored 'Trans proline' 0 C--N 1.377 2.053 0 CA-C-N 123.748 2.374 . . . . 0.0 112.824 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -70.66 147.58 48.98 Favored 'General case' 0 C--N 1.367 1.334 0 C-N-CA 125.529 1.531 . . . . 0.0 110.913 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 26.3 p -63.95 147.51 51.83 Favored 'General case' 0 C--N 1.367 1.337 0 C-N-CA 127.517 2.327 . . . . 0.0 113.49 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ARG . . . . . 0.462 HH11 ' H ' ' B' ' 107' ' ' ARG . 0.2 OUTLIER -90.9 133.6 35.11 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 127.507 2.323 . . . . 0.0 107.544 178.903 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.473 HH21 " H5'" ' A' ' 19' ' ' ' A' 0.311 0.1 OUTLIER -72.39 -71.74 0.27 Allowed 'General case' 0 C--N 1.368 1.392 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 -176.502 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.477 ' HD2' " H4'" ' A' ' 21' ' ' ' G' 0.524 0.0 OUTLIER -59.13 120.71 49.78 Favored Pre-proline 0 C--N 1.389 2.295 0 CA-C-N 121.225 1.83 . . . . 0.0 109.72 -179.129 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -73.17 173.57 13.47 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.608 2.205 . . . . 0.0 116.447 -171.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.454 ' CZ ' ' C8 ' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -58.26 101.75 0.09 Allowed 'General case' 0 CA--C 1.468 -2.2 1 C-N-CA 131.846 4.058 . . . . 0.0 105.356 -178.376 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -10.69 -56.69 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.495 1 C-N-CA 133.151 4.581 . . . . 0.0 115.7 -176.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 33.4 m -33.62 -38.75 0.05 Allowed 'General case' 0 C--N 1.358 0.958 0 C-N-CA 128.966 2.906 . . . . 0.0 117.53 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.83 -41.8 78.07 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 131.375 3.87 . . . . 0.0 115.975 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.569 ' HB3' ' C4 ' ' A' ' 21' ' ' ' G' 0.448 4.8 ptt180 -80.25 -115.83 0.02 OUTLIER 'General case' 0 N--CA 1.426 -1.647 0 N-CA-C 119.05 2.981 . . . . 0.0 119.05 -169.255 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -56.82 78.87 0.01 OUTLIER 'General case' 0 N--CA 1.432 -1.34 1 C-N-CA 135.067 5.347 . . . . 0.0 115.808 -174.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -91.94 127.67 48.77 Favored Pre-proline 0 C--N 1.365 1.268 0 C-N-CA 125.684 1.593 . . . . 0.0 109.354 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo . . . . . 0 C--N 1.371 1.751 0 CA-C-O 117.305 -1.206 . . . . 0.0 112.84 179.02 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.253 0 C4'-C3'-C2' 104.241 1.541 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.601 1 O4'-C1'-N19 112.932 4.732 . 0.621 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.942 1 N19-C1'-C2' 121.03 4.769 . 0.846 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.457 3.55 1 O4'-C1'-N19 113.651 5.451 OUTLIER-EPSILON 0.504 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . 0.475 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 P--O3' 1.567 -3.332 3 P-O3'-C3' 136.621 14.101 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 2.514 1 O4'-C1'-N19 113.51 5.31 OUTLIER-EPSILON 0.064 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.249 2 P-O3'-C3' 134.746 12.538 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . 0.401 ' C8 ' ' C5 ' ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.542 2.483 2 P-O3'-C3' 134.495 12.329 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . 0.466 HO2' ' H6 ' ' A' ' 10' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.563 4.066 0 C1'-C2'-O2' 119.2 2.867 . 0.663 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ' U' . . . . . 0.466 ' H6 ' HO2' ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.525 1.188 3 C5'-C4'-C3' 122.679 4.786 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.557 3.614 0 O4'-C1'-N19 110.946 2.746 . 0.55 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.455 3.393 2 O4'-C1'-N19 114.926 6.726 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.061 0 P-O3'-C3' 123.745 3.371 . 0.881 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.534 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.545 1.837 1 C5'-C4'-C3' 121.951 4.301 OUTLIER-EPSILON 0.135 1g . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . 0.54 " H1'" ' C8 ' ' A' ' 16' ' ' ' A' . . . . . . . . 1 C2'--C1' 1.581 5.284 5 P-O3'-C3' 137.152 14.544 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . 0.54 ' C8 ' " H1'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.547 2.87 2 P-O3'-C3' 133.782 11.735 . 0.01 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . 0.526 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.565 4.243 0 C5'-C4'-C3' 110.85 -3.1 OUTLIER-DELTA 0.087 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ' U' . . . . . 0.526 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.742 1 P-O3'-C3' 126.508 5.674 . 0.026 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ' A' . . . . . 0.446 ' C5 ' ' C5 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.713 1 N19-C1'-C2' 123.728 6.455 . 0.23 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . 0.446 ' C5 ' ' C5 ' ' A' ' 19' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.441 2.279 2 P-O3'-C3' 132.167 10.389 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ' G' . . . . . 0.564 ' C4 ' ' HA ' ' B' ' 113' ' ' ARG . . . . . . . . 1 C2'--C1' 1.488 -4.037 3 O5'-C5'-C4' 122.211 8.579 . 0.01 7p . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.552 2.454 1 C1'-O4'-C4' 105.688 -4.347 . 0.01 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.558 3.719 1 O4'-C1'-N19 112.242 4.042 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.797 1 P-O3'-C3' 125.86 5.134 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.039 1 O4'-C1'-N19 112.934 4.734 . 0.091 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.967 3 O4'-C1'-N19 114.621 6.421 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ' A' . . . . . 0.431 " H3'" ' C6 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.544 2.625 1 N19-C1'-C2' 120.025 4.141 . 0.202 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . 0.431 ' C6 ' " H3'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.556 3.554 1 O4'-C1'-N19 112.824 4.624 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.874 0 O5'-C5'-C4' 113.619 2.442 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.908 0 O4'-C1'-N19 111.576 3.376 . 0.662 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.1 0 O4'-C1'-N19 111.885 3.685 . 0.471 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.837 1 P-O3'-C3' 125.222 4.602 . 0.433 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.273 0 P-O3'-C3' 124.439 3.949 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 117.972 -1.013 . . . . 0.0 113.678 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.32 -19.24 44.11 Favored 'Trans proline' 0 C--N 1.371 1.712 0 CA-C-O 117.348 -1.188 . . . . 0.0 114.548 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -83.74 159.46 21.47 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 127.334 2.254 . . . . 0.0 110.669 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 13.9 t -90.62 -58.73 2.39 Favored 'General case' 0 C--N 1.365 1.251 0 C-N-CA 126.571 1.948 . . . . 0.0 110.546 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ARG . . . . . 0.432 HH11 ' H ' ' B' ' 107' ' ' ARG . 0.1 OUTLIER -88.24 147.29 24.91 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 128.246 2.618 . . . . 0.0 113.563 -177.717 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -93.76 -72.86 0.59 Allowed 'General case' 0 C--N 1.371 1.529 0 C-N-CA 127.862 2.465 . . . . 0.0 115.196 -177.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.558 HH11 " H4'" ' A' ' 21' ' ' ' G' 0.621 0.1 OUTLIER -52.15 116.84 9.04 Favored Pre-proline 0 C--N 1.397 2.655 0 CA-C-N 121.906 2.139 . . . . 0.0 111.874 -176.834 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' B' B ' 108' ' ' PRO . . . . . 0.433 ' HD2' ' H8 ' ' A' ' 21' ' ' ' G' . 1.7 Cg_endo -69.3 174.5 9.02 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.035 1.823 . . . . 0.0 115.322 -174.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.475 ' CZ ' ' C8 ' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -61.22 110.18 1.33 Allowed 'General case' 0 CA--C 1.468 -2.19 0 C-N-CA 131.485 3.914 . . . . 0.0 107.481 -177.17 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ARG . . . . . 0.513 HH22 ' HB2' ' B' ' 114' ' ' LYS . 0.0 OUTLIER -8.57 -60.4 0.0 OUTLIER 'General case' 0 N--CA 1.412 -2.349 1 C-N-CA 133.964 4.906 . . . . 0.0 115.637 -178.546 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 47.4 m -35.76 -39.53 0.15 Allowed 'General case' 0 C--N 1.363 1.184 0 C-N-CA 130.76 3.624 . . . . 0.0 116.694 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -26.03 40.97 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 131.43 3.892 . . . . 0.0 117.428 -177.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.564 ' HA ' ' C4 ' ' A' ' 21' ' ' ' G' . 17.2 mtm180 -71.32 -101.77 0.01 OUTLIER 'General case' 0 N--CA 1.423 -1.811 0 C-N-CA 126.346 1.858 . . . . 0.0 111.903 -169.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 114' ' ' LYS . . . . . 0.513 ' HB2' HH22 ' B' ' 110' ' ' ARG . 64.9 mmtt -68.74 93.27 0.52 Allowed 'General case' 0 N--CA 1.425 -1.722 0 C-N-CA 128.998 2.919 . . . . 0.0 110.735 -177.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -107.54 119.81 49.41 Favored Pre-proline 0 C--N 1.366 1.286 0 C-N-CA 126.74 2.016 . . . . 0.0 108.733 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo . . . . . 0 C--O 1.264 1.787 0 CA-C-N 120.011 1.04 . . . . 0.0 112.337 177.862 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.1 0 C5'-C4'-O4' 112.043 2.031 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.774 1 O4'-C1'-N19 112.311 4.111 . 0.796 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.018 1 N19-C1'-C2' 122.854 5.909 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.455 3.457 2 O4'-C1'-N19 113.796 5.596 OUTLIER-EPSILON 0.037 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . 0.454 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 P--O3' 1.565 -3.504 2 P-O3'-C3' 136.867 14.306 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.989 1 O4'-C1'-N19 112.393 4.193 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . 0.401 " H2'" ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.542 2.433 2 O4'-C1'-N19 113.284 5.084 . 0.56 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . 0.401 ' C8 ' " H2'" ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.549 3.007 1 O4'-C1'-N19 113.793 5.593 . 0.662 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . 0.533 HO2' ' H6 ' ' A' ' 10' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.567 4.404 0 O4'-C1'-N19 111.725 3.525 . 0.542 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ' U' . . . . . 0.533 ' H6 ' HO2' ' A' ' 9' ' ' ' G' . . . . . . . . 0 C2'--O2' 1.432 1.456 2 C5'-C4'-C3' 122.743 4.829 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.416 ' C5 ' ' C4 ' ' A' ' 12' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.553 3.291 0 C5'-C4'-O4' 112.889 2.635 . 0.728 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ' C' . . . . . 0.416 ' C4 ' ' C5 ' ' A' ' 11' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.45 3.029 1 O4'-C1'-N19 115.292 7.092 . 0.471 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.33 0 C5'-C4'-O4' 113.577 3.127 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.613 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.547 2.043 2 N19-C1'-C2' 122.208 5.505 . 0.079 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . 0.613 ' C8 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 1 C2'--C1' 1.585 5.716 4 O4'-C1'-N19 98.575 -9.625 . 0.0 OUTLIER '7D dist 7r' 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . 0.534 ' C8 ' " H1'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.724 1 P-O3'-C3' 130.824 9.27 . 0.046 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . 0.476 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.565 4.195 0 N19-C1'-C2' 118.417 3.136 OUTLIER-DELTA 0.102 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ' U' . . . . . 0.476 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.757 1 P-O3'-C3' 126.204 5.42 . 0.035 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ' A' . . . . . 0.525 ' C5 ' ' C5 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.547 2.839 2 N19-C1'-C2' 120.399 4.374 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . 0.525 ' C5 ' ' C5 ' ' A' ' 19' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.543 2.558 2 P-O3'-C3' 131.356 9.713 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ' G' . . . . . 0.425 ' N9 ' ' HB3' ' B' ' 113' ' ' ARG . . . . . . . . 0 C5'--C4' 1.545 2.684 3 O5'-C5'-C4' 120.968 7.691 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.551 2.285 0 O4'-C4'-C3' 100.682 -3.442 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.299 0 O4'-C1'-N19 111.276 3.076 . 0.579 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.735 0 O4'-C1'-N19 111.308 3.108 . 0.607 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.195 2 O4'-C1'-N19 114.816 6.616 . 0.148 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ' U' . . . . . 0.426 ' H3 ' HH22 ' B' ' 109' ' ' ARG . . . . . . . . 0 C5'--C4' 1.549 2.992 1 O4'-C1'-N19 114.253 6.053 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.145 1 P-O3'-C3' 126.183 5.403 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.789 0 O4'-C1'-N19 111.643 3.443 . 0.448 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ' G' . . . . . 0.4 ' C6 ' ' C4 ' ' A' ' 30' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.072 0 O5'-C5'-C4' 113.673 2.481 . 0.767 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.4 ' C4 ' ' C6 ' ' A' ' 29' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.547 2.825 0 O4'-C1'-N19 112.104 3.904 . 0.742 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.994 0 O4'-C1'-N19 112.053 3.853 . 0.511 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.863 0 P-O3'-C3' 123.474 3.145 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.885 1 P-O3'-C3' 125.194 4.579 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 61.4 mtt . . . . . 0 N--CA 1.498 1.952 0 CA-C-O 118.217 -0.896 . . . . 0.0 113.335 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -59.16 -24.26 73.05 Favored 'Trans proline' 0 C--N 1.376 1.987 0 N-CA-C 116.282 1.609 . . . . 0.0 116.282 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -86.7 144.21 27.21 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 125.779 1.631 . . . . 0.0 109.281 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 14.9 t -91.54 -52.26 4.86 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 127.42 2.288 . . . . 0.0 109.541 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -97.19 150.88 20.4 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 127.74 2.416 . . . . 0.0 112.906 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.441 ' HG3' " H3'" ' A' ' 19' ' ' ' A' . 21.4 mmt180 -110.23 -72.08 0.74 Allowed 'General case' 0 C--N 1.372 1.569 0 CA-C-O 116.088 -1.91 . . . . 0.0 113.108 -179.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.419 HH11 " H4'" ' A' ' 21' ' ' ' G' 0.536 0.0 OUTLIER -61.22 116.76 21.05 Favored Pre-proline 0 C--N 1.392 2.451 0 CA-C-N 121.004 1.729 . . . . 0.0 108.901 -178.771 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -75.3 179.33 6.26 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.461 2.108 . . . . 0.0 117.445 -170.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.454 ' CZ ' ' C8 ' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -63.13 106.29 0.83 Allowed 'General case' 0 CA--C 1.48 -1.721 1 C-N-CA 133.458 4.703 . . . . 0.0 103.712 179.096 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -18.32 -43.98 0.0 OUTLIER 'General case' 0 N--CA 1.415 -2.224 1 C-N-CA 132.598 4.359 . . . . 0.0 120.469 -175.29 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 67.5 m -44.83 -25.63 0.32 Allowed 'General case' 0 C--N 1.36 1.042 0 C-N-CA 129.73 3.212 . . . . 0.0 116.117 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -84.38 -54.23 4.92 Favored 'General case' 0 N--CA 1.429 -1.523 0 C-N-CA 130.908 3.683 . . . . 0.0 110.246 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.425 ' HB3' ' N9 ' ' A' ' 21' ' ' ' G' 0.275 6.3 ptt180 -72.42 119.58 16.82 Favored 'General case' 0 N--CA 1.422 -1.833 0 CA-C-O 124.979 2.323 . . . . 0.0 109.729 -178.73 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -106.31 121.05 43.43 Favored 'General case' 0 N--CA 1.415 -2.193 1 C-N-CA 132.643 4.377 . . . . 0.0 105.251 -178.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 28.3 mtp-105 -70.92 -63.44 1.54 Allowed Pre-proline 0 C--N 1.355 0.82 0 C-N-CA 127.816 2.447 . . . . 0.0 112.871 -177.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo . . . . . 0 C--O 1.263 1.741 0 CA-C-N 122.91 2.075 . . . . 0.0 111.295 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.028 0 N19-C1'-C2' 116.143 1.714 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.72 1 O4'-C1'-N19 112.429 4.229 . 0.453 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . 0.404 ' C5 ' ' C4 ' ' A' ' 4' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.548 2.897 1 N19-C1'-C2' 121.407 5.004 . 0.523 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.439 ' C5 ' ' NH1' ' B' ' 109' ' ' ARG . . . . . . . . 0 C5'--C4' 1.543 2.539 1 O4'-C1'-N19 114.38 6.18 . 0.758 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . 0.436 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 P--O3' 1.574 -2.79 2 P-O3'-C3' 128.337 7.198 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.939 0 O4'-C1'-N19 112.159 3.959 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . 0.434 " H2'" ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.54 2.328 3 P-O3'-C3' 126.633 5.778 . 0.345 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . 0.479 ' C8 ' ' C5 ' ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.543 2.519 2 N19-C1'-C2' 122.278 5.549 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . 0.479 ' C5 ' ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.556 3.507 0 C1'-C2'-O2' 119.573 2.991 . 0.249 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ' U' . . . . . 0.501 " H1'" ' C5 ' ' A' ' 22' ' ' ' A' . . . . . . . . 0 C2'--O2' 1.429 1.253 3 C5'-C4'-C3' 123.045 5.03 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.434 ' C5 ' ' C4 ' ' A' ' 12' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.559 3.749 0 C2'-C3'-O3' 121.515 3.755 OUTLIER-EPSILON 0.455 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ' C' . . . . . 0.434 ' C4 ' ' C5 ' ' A' ' 11' ' ' ' A' . . . . . . . . 0 P--O3' 1.571 -3.04 2 P-O3'-C3' 137.663 14.969 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.302 0 C5'-C4'-O4' 113.341 2.958 . 0.941 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.621 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.552 2.44 1 C5'-C4'-C3' 121.604 4.069 OUTLIER-EPSILON 0.114 1g . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . 0.621 ' C8 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 1 C2'--C1' 1.582 5.373 3 P-O3'-C3' 134.458 12.299 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . 0.461 ' C8 ' " H1'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.658 1 P-O3'-C3' 128.979 7.732 . 0.125 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . 0.407 ' C8 ' H5'' ' A' ' 17' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.565 4.231 0 O4'-C1'-N19 104.84 -3.36 OUTLIER-DELTA 0.024 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.506 1 P-O3'-C3' 127.623 6.603 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.662 1 N19-C1'-C2' 123.264 6.165 . 0.311 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.123 1 O4'-C1'-N19 115.033 6.833 . 0.225 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ' G' . . . . . 0.558 ' C4 ' ' HA ' ' B' ' 113' ' ' ARG . . . . . . . . 0 C5'--C4' 1.554 3.375 2 O5'-C5'-C4' 119.438 6.599 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ' A' . . . . . 0.501 ' C5 ' " H1'" ' A' ' 10' ' ' ' U' . . . . . . . . 0 C2'--C1' 1.555 2.687 0 O4'-C4'-C3' 100.227 -3.767 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.187 1 O4'-C1'-N19 112.424 4.224 . 0.338 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.233 0 O4'-C1'-N19 111.217 3.017 . 0.567 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.564 4.192 1 O4'-C1'-N19 114.753 6.553 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.068 2 O4'-C1'-N19 114.382 6.182 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.189 1 P-O3'-C3' 127.292 6.327 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.553 1 O4'-C1'-N19 113.287 5.087 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.077 0 O4'-C1'-N19 111.502 3.302 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.98 1 O4'-C1'-N19 112.205 4.005 . 0.613 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.177 0 O4'-C1'-N19 111.652 3.452 . 0.517 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.771 0 P-O3'-C3' 123.495 3.162 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.885 0 P-O3'-C3' 123.913 3.511 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.496 1.858 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -63.44 157.49 50.39 Favored 'Trans proline' 0 C--N 1.374 1.908 0 N-CA-C 116.317 1.622 . . . . 0.0 116.317 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -90.0 163.46 14.92 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.367 2.267 . . . . 0.0 110.786 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 12.0 p -69.35 153.98 42.75 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 127.088 2.155 . . . . 0.0 111.009 178.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 15.0 tpt85 -67.94 151.39 47.19 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.955 2.102 . . . . 0.0 113.571 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . 0.258 21.8 mmm180 -99.31 -88.62 0.33 Allowed 'General case' 0 C--N 1.37 1.481 0 CA-C-O 116.106 -1.902 . . . . 0.0 111.032 -177.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.407 ' HA ' ' HD3' ' B' ' 108' ' ' PRO 0.605 0.0 OUTLIER -35.26 122.71 0.61 Allowed Pre-proline 0 C--N 1.392 2.455 0 N-CA-C 116.686 2.106 . . . . 0.0 116.686 -177.197 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B ' 108' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 107' ' ' ARG . 10.3 Cg_endo -71.02 174.34 10.74 Favored 'Trans proline' 0 C--N 1.364 1.379 0 O-C-N 124.709 1.899 . . . . 0.0 114.749 -174.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.439 ' NH1' ' C5 ' ' A' ' 4' ' ' ' C' . 0.0 OUTLIER -64.07 106.26 1.02 Allowed 'General case' 0 CA--C 1.464 -2.342 1 C-N-CA 132.936 4.494 . . . . 0.0 106.016 -176.378 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ARG . . . . . 0.502 ' C ' ' HE ' ' B' ' 110' ' ' ARG . 0.7 OUTLIER -9.21 -60.54 0.0 OUTLIER 'General case' 0 N--CA 1.406 -2.669 1 C-N-CA 133.344 4.658 . . . . 0.0 115.879 -178.977 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 69.8 m -40.69 -35.9 0.54 Allowed 'General case' 0 C--N 1.361 1.098 0 N-CA-C 117.8 2.518 . . . . 0.0 117.8 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -32.03 68.32 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 129.081 2.952 . . . . 0.0 115.024 -178.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.558 ' HA ' ' C4 ' ' A' ' 21' ' ' ' G' 0.26 11.3 mtm180 -70.7 -127.0 0.0 OUTLIER 'General case' 0 N--CA 1.425 -1.706 0 C-N-CA 127.792 2.437 . . . . 0.0 113.571 -170.128 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt -62.07 99.02 0.11 Allowed 'General case' 0 N--CA 1.426 -1.67 1 C-N-CA 135.172 5.389 . . . . 0.0 110.149 -179.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 115' ' ' ARG . . . . . 0.415 HH21 ' H22' ' A' ' 21' ' ' ' G' . 36.2 mtm180 -93.31 121.52 65.07 Favored Pre-proline 0 C--N 1.361 1.083 0 C-N-CA 126.419 1.887 . . . . 0.0 108.926 -178.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo . . . . . 0 C--O 1.263 1.766 0 C-N-CA 120.73 0.954 . . . . 0.0 111.518 179.826 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . 0.431 " H2'" ' C8 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.538 2.176 0 C5'-C4'-O4' 111.051 1.322 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.431 ' C8 ' " H2'" ' A' ' 1' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.545 2.698 0 O4'-C1'-N19 112.153 3.953 . 0.667 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . 0.403 " H2'" ' C6 ' ' A' ' 4' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.549 3.016 1 N19-C1'-C2' 120.231 4.269 . 0.794 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.403 ' C6 ' " H2'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.552 3.252 1 O4'-C1'-N19 114.303 6.103 . 0.718 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . 0.448 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 C5'--C4' 1.55 3.057 2 P-O3'-C3' 128.837 7.615 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.022 1 O4'-C1'-N19 112.278 4.078 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . 0.524 " H2'" ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.55 3.09 3 O4'-C1'-N19 114.913 6.713 . 0.322 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . 0.524 ' C8 ' " H2'" ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.546 2.735 2 N19-C1'-C2' 122.913 5.946 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . 0.506 ' C5 ' ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.557 3.633 0 C1'-C2'-O2' 119.308 2.903 . 0.338 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ' U' . . . . . 0.488 ' H6 ' HO2' ' A' ' 9' ' ' ' G' . . . . . . . . 0 P--O3' 1.592 -1.224 3 C5'-C4'-C3' 123.134 5.089 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.431 ' C5 ' ' C4 ' ' A' ' 12' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.558 3.682 0 O4'-C1'-N19 111.391 3.191 . 0.387 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ' C' . . . . . 0.431 ' C4 ' ' C5 ' ' A' ' 11' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.455 3.423 2 O4'-C1'-N19 115.004 6.804 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . 0.486 " H2'" " O2'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.551 3.129 0 P-O3'-C3' 124.462 3.968 . 0.828 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.486 " O2'" " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.566 4.335 2 C4'-C3'-C2' 97.384 -5.316 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . 0.499 " H1'" ' C8 ' ' A' ' 16' ' ' ' A' . . . . . . . . 1 C2'--C1' 1.58 5.182 4 O4'-C1'-N19 98.134 -10.066 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . 0.499 ' C8 ' " H1'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.544 2.59 1 P-O3'-C3' 128.617 7.431 . 0.056 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . 0.455 ' C8 ' ' C8 ' ' A' ' 16' ' ' ' A' . . . . . . . . 1 C5'--C4' 1.568 4.427 1 C5'-C4'-C3' 109.463 -4.024 OUTLIER-DELTA 0.01 1c . 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.368 2 P-O3'-C3' 127.281 6.317 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.478 1 N19-C1'-C2' 123.569 6.355 . 0.175 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.131 1 O4'-C1'-N19 115.258 7.058 . 0.424 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ' G' . . . . . 0.479 " H4'" HH11 ' B' ' 107' ' ' ARG . . . . . . . . 0 P--O5' 1.621 2.793 3 O5'-C5'-C4' 122.395 8.711 . 0.031 7p . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.565 -3.513 3 N19-C1'-C2' 120.402 4.376 . 0.016 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.894 2 O4'-C1'-N19 112.603 4.403 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.558 3.714 0 O5'-C5'-C4' 114.47 3.05 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.393 1 O4'-C1'-N19 113.308 5.108 . 0.151 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.804 1 O4'-C1'-N19 113.93 5.73 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.259 1 P-O3'-C3' 136.86 14.3 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.56 3.845 0 N19-C1'-C2' 119.799 3.999 . 0.572 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.558 0 N19-C1'-C2' 117.576 2.61 . 0.638 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.905 0 O4'-C1'-N19 111.408 3.208 . 0.414 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.119 0 O4'-C1'-N19 111.536 3.336 . 0.421 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.558 3.026 0 P-O3'-C3' 123.622 3.269 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 2.531 0 P-O3'-C3' 124.463 3.969 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 90.9 mtp . . . . . 0 N--CA 1.495 1.825 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -64.51 161.52 34.74 Favored 'Trans proline' 0 C--N 1.375 1.927 0 C-N-CA 121.078 1.185 . . . . 0.0 114.137 177.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -64.16 145.33 56.15 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 125.977 1.711 . . . . 0.0 111.107 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 65.3 p -52.27 -49.17 64.63 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 129.387 3.075 . . . . 0.0 114.061 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ARG . . . . . 0.463 HH11 ' HB3' ' B' ' 105' ' ' ARG . 0.3 OUTLIER -51.8 140.09 20.16 Favored 'General case' 0 N--CA 1.44 -0.932 1 C-N-CA 133.43 4.692 . . . . 0.0 115.752 -177.001 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -142.34 -51.99 0.4 Allowed 'General case' 0 C--N 1.372 1.565 0 CA-C-O 115.718 -2.087 . . . . 0.0 113.896 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.479 HH11 " H4'" ' A' ' 21' ' ' ' G' 0.609 0.3 OUTLIER -53.28 123.74 36.46 Favored Pre-proline 0 C--N 1.395 2.582 0 CA-C-N 121.99 2.177 . . . . 0.0 113.234 -176.923 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -74.34 176.68 9.32 Favored 'Trans proline' 0 C--N 1.358 1.053 0 O-C-N 124.325 1.697 . . . . 0.0 116.142 -174.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.448 ' CZ ' ' C8 ' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -64.13 103.28 0.59 Allowed 'General case' 0 CA--C 1.465 -2.291 1 C-N-CA 135.625 5.57 . . . . 0.0 105.461 -176.586 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ARG . . . . . 0.572 HH21 ' HB2' ' B' ' 113' ' ' ARG . 3.8 tpm_? -15.69 -50.4 0.0 OUTLIER 'General case' 0 N--CA 1.421 -1.879 1 C-N-CA 131.859 4.064 . . . . 0.0 117.108 -177.532 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 49.8 m -42.54 -30.76 0.38 Allowed 'General case' 0 C--N 1.364 1.222 0 C-N-CA 130.041 3.336 . . . . 0.0 116.031 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.22 -52.01 8.25 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 131.112 3.765 . . . . 0.0 109.939 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.572 ' HB2' HH21 ' B' ' 110' ' ' ARG . 0.5 OUTLIER -70.08 110.07 4.92 Favored 'General case' 0 N--CA 1.425 -1.716 0 C-N-CA 129.172 2.989 . . . . 0.0 107.187 -177.868 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 114' ' ' LYS . . . . . 0.552 ' HG3' ' H ' ' B' ' 115' ' ' ARG 0.362 48.6 tptt -90.42 -128.84 0.08 Allowed 'General case' 0 N--CA 1.424 -1.746 0 C-N-CA 130.854 3.662 . . . . 0.0 104.699 -179.179 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 115' ' ' ARG . . . . . 0.552 ' H ' ' HG3' ' B' ' 114' ' ' LYS . 37.5 ptt85 -67.81 125.05 90.84 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 127.835 2.454 . . . . 0.0 108.59 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo . . . . . 0 C--O 1.263 1.727 0 CA-C-O 117.15 -1.271 . . . . 0.0 112.302 -178.511 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . 0.412 " H2'" ' C8 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.54 2.328 0 C5'-C4'-O4' 111.895 1.925 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.412 ' C8 ' " H2'" ' A' ' 1' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.545 2.672 0 O4'-C1'-N19 111.76 3.56 . 0.446 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . 0.49 " H2'" ' C6 ' ' A' ' 4' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.547 2.864 1 N19-C1'-C2' 121.494 5.059 OUTLIER-EPSILON 0.859 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.49 ' C6 ' " H2'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.457 3.559 2 P-O3'-C3' 135.071 12.81 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . 0.451 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 P--O3' 1.564 -3.587 2 P-O3'-C3' 137.243 14.619 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.763 1 O4'-C1'-N19 113.218 5.018 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . 0.459 " H2'" ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.555 3.476 3 O4'-C1'-N19 113.313 5.113 . 0.012 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . 0.459 ' C8 ' " H2'" ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.548 2.922 2 O4'-C1'-N19 113.338 5.138 . 0.167 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . 0.547 HO2' ' H6 ' ' A' ' 10' ' ' ' U' . . . . . . . . 2 C5'--C4' 1.571 4.695 0 P-O5'-C5' 127.253 3.971 . 0.527 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ' U' . . . . . 0.547 ' H6 ' HO2' ' A' ' 9' ' ' ' G' . . . . . . . . 0 P--O3' 1.592 -1.214 2 C5'-C4'-C3' 122.36 4.573 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.577 0 C2'-C3'-O3' 121.364 3.701 OUTLIER-EPSILON 0.605 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.573 -2.846 2 P-O3'-C3' 137.137 14.531 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.363 0 C5'-C4'-O4' 113.389 2.992 . 0.949 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.614 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.549 2.15 2 N19-C1'-C2' 123.012 6.008 . 0.053 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . 0.77 HO2' ' H8 ' ' A' ' 16' ' ' ' A' . . . . . . . . 1 C2'--C1' 1.579 5.064 4 P-O3'-C3' 129.59 8.242 . 0.0 OUTLIER '7D dist 7r' 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . 0.77 ' H8 ' HO2' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.552 3.236 1 P-O3'-C3' 128.318 7.182 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . 0.57 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.563 4.047 0 C1'-O4'-C4' 112.246 2.94 . 0.149 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ' U' . . . . . 0.57 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 1 O4'--C1' 1.463 4.046 1 P-O3'-C3' 126.812 5.926 . 0.068 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ' A' . . . . . 0.52 ' C5 ' ' C5 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.543 2.539 1 N19-C1'-C2' 120.257 4.285 OUTLIER-EPSILON 0.544 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . 0.52 ' C5 ' ' C5 ' ' A' ' 19' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.451 3.059 2 P-O3'-C3' 134.431 12.276 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ' G' . . . . . 0.58 ' H8 ' ' HD2' ' B' ' 108' ' ' PRO . . . . . . . . 0 C2'--C1' 1.493 -3.507 3 O5'-C5'-C4' 121.323 7.945 . 0.024 7p . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.548 2.12 1 C1'-O4'-C4' 105.778 -4.247 . 0.01 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.923 2 O4'-C1'-N19 112.753 4.553 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.113 0 C5'-C4'-C3' 111.047 -2.968 . 0.715 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.911 1 O4'-C1'-N19 113.279 5.079 . 0.182 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.934 1 O4'-C1'-N19 113.718 5.518 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ' A' . . . . . 0.42 " H3'" ' C6 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.545 2.696 1 N19-C1'-C2' 120.469 4.418 . 0.132 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . 0.42 ' C6 ' " H3'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.56 3.875 0 O4'-C1'-N19 111.44 3.24 . 0.347 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.878 0 O4'-C1'-N19 111.46 3.26 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.918 0 O4'-C1'-N19 111.94 3.74 . 0.604 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.202 0 O4'-C1'-N19 111.658 3.458 . 0.48 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.698 1 P-O3'-C3' 125.524 4.853 . 0.331 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.974 1 P-O3'-C3' 127.066 6.138 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ptm . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 117.817 -1.087 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -73.98 134.96 20.42 Favored 'Trans proline' 0 C--N 1.371 1.732 0 CA-C-N 120.018 1.042 . . . . 0.0 111.074 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -97.04 146.61 24.83 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 125.951 1.701 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 86.3 m -81.81 -62.35 1.66 Allowed 'General case' 0 C--N 1.365 1.267 0 C-N-CA 127.103 2.161 . . . . 0.0 105.575 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -102.07 122.57 44.37 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 130.798 3.639 . . . . 0.0 105.326 176.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . 0.463 12.9 mmm180 -70.19 -61.32 1.82 Allowed 'General case' 0 C--N 1.369 1.449 0 CA-C-O 114.473 -2.68 . . . . 0.0 116.079 -176.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.564 HH12 HH22 ' B' ' 115' ' ' ARG 0.711 0.3 OUTLIER -62.58 117.41 31.1 Favored Pre-proline 0 C--N 1.399 2.746 0 CA-C-N 123.512 2.869 . . . . 0.0 110.761 178.716 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 108' ' ' PRO . . . . . 0.58 ' HD2' ' H8 ' ' A' ' 21' ' ' ' G' . 6.6 Cg_exo -67.67 173.75 8.53 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.265 2.643 . . . . 0.0 115.276 -176.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.451 ' CZ ' ' C8 ' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -63.68 128.92 37.97 Favored 'General case' 0 CA--C 1.473 -1.987 1 C-N-CA 133.147 4.579 . . . . 0.0 107.711 -176.632 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -27.29 -50.41 0.05 Allowed 'General case' 0 N--CA 1.424 -1.747 0 C-N-CA 129.694 3.198 . . . . 0.0 118.415 -176.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 51.1 m -48.82 -26.44 2.4 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 130.253 3.421 . . . . 0.0 117.912 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . 0.279 3.3 pm0 -87.94 -36.71 16.95 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 126.413 1.885 . . . . 0.0 113.661 -177.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -66.66 90.82 0.17 Allowed 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 130.871 3.668 . . . . 0.0 108.281 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -95.04 117.11 29.61 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 128.922 2.889 . . . . 0.0 108.422 -176.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 115' ' ' ARG . . . . . 0.564 HH22 HH12 ' B' ' 107' ' ' ARG . 79.6 mmt-85 -100.4 -54.37 0.16 Allowed Pre-proline 0 C--N 1.366 1.312 0 CA-C-O 115.587 -2.149 . . . . 0.0 111.817 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo . . . . . 0 C--O 1.263 1.77 0 C-N-CA 123.063 2.508 . . . . 0.0 113.673 178.405 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.773 0 O5'-C5'-C4' 113.787 2.562 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.724 1 O4'-C1'-N19 112.64 4.44 . 0.628 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.903 1 N19-C1'-C2' 122.187 5.492 . 0.633 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.425 ' C5 ' ' NH1' ' B' ' 109' ' ' ARG . . . . . . . . 0 C5'--C4' 1.539 2.249 1 O4'-C1'-N19 114.583 6.383 . 0.658 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . 0.429 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 C5'--C4' 1.544 2.641 2 P-O3'-C3' 128.763 7.553 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.835 1 O4'-C1'-N19 112.828 4.628 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . 0.462 " H2'" ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.555 3.429 3 C3'-C2'-C1' 106.409 5.454 . 0.089 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . 0.499 ' C8 ' ' C5 ' ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.544 2.635 2 N19-C1'-C2' 122.405 5.628 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . 0.499 ' C5 ' ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.565 3.742 0 C5'-C4'-C3' 110.186 -3.543 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ' U' . . . . . 0.421 ' H6 ' HO2' ' A' ' 9' ' ' ' G' . . . . . . . . 0 P--O5' 1.606 1.294 4 C5'-C4'-C3' 123.662 5.441 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.485 ' C5 ' ' C4 ' ' A' ' 12' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.559 3.78 0 C5'-C4'-O4' 113.989 3.42 . 0.459 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ' C' . . . . . 0.485 ' C4 ' ' C5 ' ' A' ' 11' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.45 3.006 1 O4'-C1'-N19 114.976 6.776 . 0.558 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.13 0 P-O3'-C3' 123.852 3.46 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.565 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.545 1.8 2 C5'-C4'-C3' 121.722 4.148 OUTLIER-EPSILON 0.093 1g . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . 0.613 " H1'" ' C8 ' ' A' ' 16' ' ' ' A' . . . . . . . . 1 C2'--C1' 1.58 5.156 5 P-O3'-C3' 136.022 13.602 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . 0.613 ' C8 ' " H1'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.559 3.763 1 P-O3'-C3' 135.701 13.334 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . 0.504 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.564 4.143 0 C1'-O4'-C4' 112.36 3.067 OUTLIER-DELTA 0.077 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ' U' . . . . . 0.504 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.735 1 P-O3'-C3' 126.587 5.739 . 0.026 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ' A' . . . . . 0.572 " H3'" ' HG3' ' B' ' 106' ' ' ARG . . . . . . . . 0 C5'--C4' 1.547 2.824 1 N19-C1'-C2' 124.222 6.764 OUTLIER-EPSILON 0.139 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.985 2 P-O3'-C3' 134.521 12.351 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ' G' . . . . . 0.577 ' C4 ' ' HA ' ' B' ' 113' ' ' ARG . . . . . . . . 0 C2'--C1' 1.492 -3.571 2 O5'-C5'-C4' 120.805 7.575 . 0.048 7p . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.55 2.249 1 P-O3'-C3' 125.415 4.763 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ' C' . . . . . 0.419 ' H41' ' HD3' ' B' ' 107' ' ' ARG . . . . . . . . 0 C5'--C4' 1.553 3.309 1 P-O3'-C3' 126.778 5.898 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.994 0 C5'-C4'-C3' 111.659 -2.56 . 0.81 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.091 3 O4'-C1'-N19 113.798 5.598 . 0.064 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ' U' . . . . . 0.469 ' H3 ' HH22 ' B' ' 109' ' ' ARG . . . . . . . . 0 C5'--C4' 1.547 2.882 1 O4'-C1'-N19 113.84 5.64 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.304 1 P-O3'-C3' 126.412 5.594 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.747 0 N19-C1'-C2' 118.383 3.114 . 0.454 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.691 0 O4'-C1'-N19 110.627 2.427 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.843 0 O4'-C1'-N19 111.711 3.511 . 0.667 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.083 0 O4'-C1'-N19 111.902 3.702 . 0.527 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.87 1 P-O3'-C3' 124.966 4.389 . 0.678 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.909 1 P-O3'-C3' 126.231 5.442 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 25.1 mmt . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.19 -0.909 . . . . 0.0 112.23 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -67.3 -37.0 19.1 Favored 'Trans proline' 0 C--N 1.372 1.763 0 CA-C-O 117.993 -0.919 . . . . 0.0 113.792 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.07 149.21 21.64 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 127.843 2.457 . . . . 0.0 111.26 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 46.5 m -90.84 -67.65 0.84 Allowed 'General case' 0 C--N 1.364 1.236 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 177.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -62.84 129.83 42.16 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 127.963 2.505 . . . . 0.0 112.323 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.572 ' HG3' " H3'" ' A' ' 19' ' ' ' A' . 18.7 mmt180 -83.69 -68.61 0.7 Allowed 'General case' 0 C--N 1.366 1.311 0 CA-C-O 115.831 -2.033 . . . . 0.0 113.993 -177.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.57 HH11 " H4'" ' A' ' 21' ' ' ' G' 0.668 0.0 OUTLIER -50.77 114.43 4.68 Favored Pre-proline 0 C--N 1.397 2.662 0 CA-C-N 120.93 1.695 . . . . 0.0 112.009 -176.02 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -70.46 178.54 4.89 Favored 'Trans proline' 0 C--N 1.351 0.707 0 O-C-N 125.322 2.222 . . . . 0.0 115.081 -174.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.469 HH22 ' H3 ' ' A' ' 26' ' ' ' U' . 0.0 OUTLIER -63.36 106.67 0.94 Allowed 'General case' 0 CA--C 1.467 -2.238 1 C-N-CA 134.774 5.23 . . . . 0.0 105.396 -176.722 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' B' B ' 110' ' ' ARG . . . . . 0.559 HH22 ' HB2' ' B' ' 114' ' ' LYS . 2.2 tpm_? -11.66 -61.28 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.505 1 C-N-CA 132.306 4.242 . . . . 0.0 116.062 -177.877 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 59.6 m -38.59 -37.23 0.3 Allowed 'General case' 0 C--N 1.365 1.267 0 C-N-CA 128.026 2.53 . . . . 0.0 117.723 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -26.25 57.7 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 129.719 3.208 . . . . 0.0 116.35 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.577 ' HA ' ' C4 ' ' A' ' 21' ' ' ' G' . 18.5 mtm180 -73.3 -107.44 0.01 OUTLIER 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 126.204 1.802 . . . . 0.0 111.503 -169.416 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 114' ' ' LYS . . . . . 0.559 ' HB2' HH22 ' B' ' 110' ' ' ARG . 29.3 mmtp -71.45 107.13 4.21 Favored 'General case' 0 N--CA 1.423 -1.783 0 C-N-CA 129.025 2.93 . . . . 0.0 110.322 -177.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -97.24 140.51 22.09 Favored Pre-proline 0 C--N 1.364 1.208 0 C-N-CA 126.937 2.095 . . . . 0.0 110.559 -178.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo . . . . . 0 C--O 1.263 1.732 0 C-N-CA 120.725 0.95 . . . . 0.0 111.516 179.712 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.81 0 O5'-C5'-C4' 114.178 2.842 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.705 0 O4'-C1'-N19 111.614 3.414 . 0.457 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.043 1 N19-C1'-C2' 121.351 4.969 . 0.855 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.805 1 O4'-C1'-N19 114.212 6.012 . 0.733 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . 0.446 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 P--O3' 1.572 -2.939 2 P-O3'-C3' 129.45 8.125 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.669 0 O4'-C1'-N19 111.797 3.597 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.282 3 P-O3'-C3' 125.647 4.956 . 0.249 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.085 2 O4'-C1'-N19 113.386 5.186 . 0.326 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . 0.417 HO2' ' H6 ' ' A' ' 10' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.569 4.556 1 O4'-C1'-N19 112.341 4.141 . 0.569 1b . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ' U' . . . . . 0.417 ' H6 ' HO2' ' A' ' 9' ' ' ' G' . . . . . . . . 0 C2'--O2' 1.433 1.507 2 C5'-C4'-C3' 122.999 4.999 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.447 ' C5 ' ' C4 ' ' A' ' 12' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.556 3.539 0 C5'-C4'-O4' 113.46 3.043 . 0.604 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ' C' . . . . . 0.447 ' C4 ' ' C5 ' ' A' ' 11' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.454 3.298 1 O4'-C1'-N19 115.791 7.591 OUTLIER-EPSILON 0.227 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . 0.535 " H2'" " O2'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.485 2.627 1 P-O3'-C3' 133.67 11.641 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.535 " O2'" " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.57 4.641 2 C4'-C3'-C2' 97.577 -5.123 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . 0.579 " H1'" ' C8 ' ' A' ' 16' ' ' ' A' . . . . . . . . 1 C2'--C1' 1.583 5.523 5 O4'-C1'-N19 98.58 -9.62 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . 0.579 ' C8 ' " H1'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.544 2.606 1 P-O3'-C3' 132.338 10.532 . 0.015 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . 0.42 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.565 4.261 0 C5'-C4'-C3' 110.355 -3.43 OUTLIER-DELTA 0.071 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ' U' . . . . . 0.42 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.557 3.594 2 P-O3'-C3' 126.221 5.434 . 0.02 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ' A' . . . . . 0.466 ' C5 ' ' C5 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.544 2.638 1 N19-C1'-C2' 120.059 4.162 . 0.419 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . 0.635 ' C6 ' ' HG3' ' B' ' 106' ' ' ARG . . . . . . . . 0 C2'--C1' 1.56 3.207 1 O4'-C1'-N19 113.017 4.817 . 0.274 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ' G' . . . . . 0.608 " H4'" HH11 ' B' ' 107' ' ' ARG . . . . . . . . 0 C5'--C4' 1.545 2.661 3 O5'-C5'-C4' 120.849 7.607 . 0.074 7p . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.569 -3.187 1 P-O3'-C3' 124.92 4.35 . 0.016 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.769 0 P-O3'-C3' 123.365 3.054 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.157 2 P-O3'-C3' 134.732 12.526 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.561 3.937 3 P-O3'-C3' 129.213 7.927 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.252 3 P-O3'-C3' 127.45 6.458 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ' A' . . . . . 0.41 " H3'" ' C6 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.535 1.94 2 P-O3'-C3' 127.298 6.331 . 0.062 5n . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . 0.41 ' C6 ' " H3'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.562 3.989 0 N19-C1'-C2' 118.129 2.955 . 0.477 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.78 0 N19-C1'-C2' 118.178 2.987 . 0.635 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.946 0 O4'-C1'-N19 111.571 3.371 . 0.437 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.156 0 O4'-C1'-N19 111.917 3.717 . 0.423 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.844 1 O4'-C1'-N19 112.266 4.066 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.832 1 P-O3'-C3' 127.309 6.341 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 54.3 tpp . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 117.502 -1.237 . . . . 0.0 111.513 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -64.98 158.46 51.46 Favored 'Trans proline' 0 C--N 1.373 1.854 0 CA-C-N 120.535 1.227 . . . . 0.0 114.239 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -63.56 148.23 49.35 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.8 2.04 . . . . 0.0 112.399 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 8.5 p -58.38 130.11 45.2 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 127.472 2.309 . . . . 0.0 115.105 -176.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ARG . . . . . 0.405 ' HE ' ' NH1' ' B' ' 106' ' ' ARG . 6.2 tpt180 -108.37 -123.66 0.25 Allowed 'General case' 0 C--N 1.359 1.011 0 C-N-CA 128.469 2.707 . . . . 0.0 108.351 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.635 ' HG3' ' C6 ' ' A' ' 20' ' ' ' C' . 0.0 OUTLIER 178.31 -82.09 0.0 OUTLIER 'General case' 0 C--N 1.383 2.065 0 C-N-CA 126.126 1.77 . . . . 0.0 112.539 -176.855 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.608 HH11 " H4'" ' A' ' 21' ' ' ' G' 0.433 0.0 OUTLIER -57.37 115.21 10.0 Favored Pre-proline 0 C--N 1.386 2.192 0 C-N-CA 131.493 3.917 . . . . 0.0 107.798 -177.222 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' B' B ' 108' ' ' PRO . . . . . 0.477 ' HD2' ' C8 ' ' A' ' 21' ' ' ' G' . 7.7 Cg_exo -68.42 -179.09 2.12 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 O-C-N 124.722 1.906 . . . . 0.0 114.468 -175.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.446 ' CZ ' ' C8 ' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -67.89 102.87 1.33 Allowed 'General case' 0 CA--C 1.477 -1.858 1 C-N-CA 135.478 5.511 . . . . 0.0 102.872 -177.443 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' B' B ' 110' ' ' ARG . . . . . 0.423 HH21 ' HB2' ' B' ' 113' ' ' ARG . 4.6 tpm_? -10.53 -48.2 0.0 OUTLIER 'General case' 0 N--CA 1.419 -2.005 1 C-N-CA 133.333 4.653 . . . . 0.0 118.821 -176.85 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 49.5 m -41.35 -28.38 0.11 Allowed 'General case' 0 C--N 1.366 1.314 0 C-N-CA 130.473 3.509 . . . . 0.0 115.948 176.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.0 -60.58 2.2 Favored 'General case' 0 N--CA 1.43 -1.445 1 C-N-CA 133.7 4.8 . . . . 0.0 110.832 -179.63 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.423 ' HB2' HH21 ' B' ' 110' ' ' ARG . 7.8 mtm180 -61.46 101.54 0.18 Allowed 'General case' 0 N--CA 1.43 -1.47 1 C-N-CA 132.335 4.254 . . . . 0.0 109.785 -172.447 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -102.1 110.71 22.75 Favored 'General case' 0 N--CA 1.422 -1.868 0 CA-C-N 111.115 -2.766 . . . . 0.0 106.644 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -92.28 150.19 39.77 Favored Pre-proline 0 C--N 1.364 1.238 0 C-N-CA 127.284 2.234 . . . . 0.0 110.748 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo . . . . . 0 C--N 1.373 1.823 0 C-N-CA 120.767 0.978 . . . . 0.0 111.283 179.041 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 . . . . . 0 N--CA 1.449 -0.501 0 CA-C-O 116.2 -1.857 . . . . 0.0 111.555 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . 0.502 0.1 OUTLIER -60.64 126.3 84.71 Favored Pre-proline 0 C--N 1.393 2.486 0 CA-C-N 121.313 1.869 . . . . 0.0 109.997 -179.296 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -81.79 -177.04 3.33 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 O-C-N 124.631 1.858 . . . . 0.0 115.71 -169.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.3 106.42 1.35 Allowed 'General case' 0 CA--C 1.474 -1.956 1 C-N-CA 131.711 4.004 . . . . 0.0 105.35 -178.311 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -13.46 -49.06 0.0 OUTLIER 'General case' 0 N--CA 1.426 -1.674 1 C-N-CA 133.626 4.771 . . . . 0.0 116.309 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 52.7 m -42.71 -30.93 0.41 Allowed 'General case' 0 C--N 1.364 1.207 0 C-N-CA 130.209 3.404 . . . . 0.0 116.357 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -79.23 -44.56 21.56 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 130.81 3.644 . . . . 0.0 113.069 -177.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 . . . . . 0 N--CA 1.434 -1.239 0 C-N-CA 130.899 3.679 . . . . 0.0 107.377 -177.429 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . 0.329 0.0 OUTLIER . . . . . 0 C--O 1.236 0.342 0 CA-C-O 116.032 -1.937 . . . . 0.0 115.927 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' B' ' 108' ' ' PRO 0.593 0.8 OUTLIER -57.79 115.13 10.03 Favored Pre-proline 0 C--N 1.392 2.454 0 CA-C-N 121.894 2.134 . . . . 0.0 110.579 -179.36 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 107' ' ' ARG . 5.7 Cg_endo -68.83 170.16 16.06 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.328 2.019 . . . . 0.0 116.259 -173.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.75 112.09 1.69 Allowed 'General case' 0 CA--C 1.468 -2.182 0 C-N-CA 131.698 3.999 . . . . 0.0 107.706 -177.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -14.81 -52.86 0.0 OUTLIER 'General case' 0 N--CA 1.414 -2.24 1 C-N-CA 133.857 4.863 . . . . 0.0 116.532 -178.262 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 70.0 m -40.79 -35.7 0.53 Allowed 'General case' 0 C--N 1.364 1.21 0 C-N-CA 129.285 3.034 . . . . 0.0 115.509 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -48.79 16.79 Favored 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 130.526 3.531 . . . . 0.0 111.577 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.426 -1.666 0 C-N-CA 128.23 2.612 . . . . 0.0 108.61 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . 0.39 0.1 OUTLIER . . . . . 0 C--O 1.238 0.461 0 CA-C-O 115.348 -2.263 . . . . 0.0 116.484 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . 0.559 0.0 OUTLIER -59.61 122.18 62.81 Favored Pre-proline 0 C--N 1.396 2.616 0 CA-C-N 122.669 2.486 . . . . 0.0 110.029 -179.256 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -78.49 179.63 6.31 Favored 'Trans proline' 0 C--N 1.351 0.666 0 N-CA-C 117.729 2.165 . . . . 0.0 117.729 -171.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.84 108.3 2.49 Favored 'General case' 0 CA--C 1.481 -1.684 1 C-N-CA 135.38 5.472 . . . . 0.0 103.558 179.611 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -20.45 -44.29 0.0 OUTLIER 'General case' 0 N--CA 1.416 -2.147 1 C-N-CA 132.156 4.182 . . . . 0.0 120.352 -175.421 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 69.2 m -46.0 -25.45 0.56 Allowed 'General case' 0 C--N 1.361 1.092 0 C-N-CA 129.627 3.171 . . . . 0.0 115.863 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -85.93 -51.73 6.18 Favored 'General case' 0 N--CA 1.433 -1.316 0 C-N-CA 130.289 3.436 . . . . 0.0 110.404 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . 0.258 2.7 ptt180 . . . . . 0 N--CA 1.426 -1.66 0 C-N-CA 126.817 2.047 . . . . 0.0 109.064 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 . . . . . 0 C--O 1.237 0.414 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . 0.579 0.0 OUTLIER -54.04 124.25 44.15 Favored Pre-proline 0 C--N 1.388 2.271 0 CA-C-N 121.454 1.934 . . . . 0.0 112.476 -177.798 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -75.0 179.8 5.73 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 122.243 1.962 . . . . 0.0 116.881 -173.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.7 104.92 1.13 Allowed 'General case' 0 CA--C 1.47 -2.124 1 C-N-CA 131.789 4.036 . . . . 0.0 106.56 -177.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' ARG . . . . . 0.54 HH21 ' HB2' ' B' ' 113' ' ' ARG . 4.8 tpm_? -12.39 -52.87 0.0 OUTLIER 'General case' 0 N--CA 1.418 -2.047 1 C-N-CA 132.609 4.364 . . . . 0.0 117.478 -178.313 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 60.9 m -43.19 -30.6 0.49 Allowed 'General case' 0 C--N 1.366 1.286 0 C-N-CA 129.67 3.188 . . . . 0.0 116.338 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -76.84 -49.48 15.67 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 130.981 3.712 . . . . 0.0 110.647 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.54 ' HB2' HH21 ' B' ' 110' ' ' ARG . 3.9 mtm180 . . . . . 0 N--CA 1.428 -1.569 0 C-N-CA 129.671 3.188 . . . . 0.0 106.515 -177.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . 0.311 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.487 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . 0.524 0.0 OUTLIER -59.13 120.71 49.78 Favored Pre-proline 0 C--N 1.389 2.295 0 CA-C-N 121.225 1.83 . . . . 0.0 109.72 -179.129 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -73.17 173.57 13.47 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.608 2.205 . . . . 0.0 116.447 -171.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.26 101.75 0.09 Allowed 'General case' 0 CA--C 1.468 -2.2 1 C-N-CA 131.846 4.058 . . . . 0.0 105.356 -178.376 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -10.69 -56.69 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.495 1 C-N-CA 133.151 4.581 . . . . 0.0 115.7 -176.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 33.4 m -33.62 -38.75 0.05 Allowed 'General case' 0 C--N 1.358 0.958 0 C-N-CA 128.966 2.906 . . . . 0.0 117.53 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.83 -41.8 78.07 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 131.375 3.87 . . . . 0.0 115.975 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . 0.448 4.8 ptt180 . . . . . 0 N--CA 1.426 -1.647 0 N-CA-C 119.05 2.981 . . . . 0.0 119.05 -169.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 . . . . . 0 C--O 1.235 0.301 0 CA-C-O 115.841 -2.028 . . . . 0.0 115.196 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . 0.621 0.1 OUTLIER -52.15 116.84 9.04 Favored Pre-proline 0 C--N 1.397 2.655 0 CA-C-N 121.906 2.139 . . . . 0.0 111.874 -176.834 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -69.3 174.5 9.02 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.035 1.823 . . . . 0.0 115.322 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.22 110.18 1.33 Allowed 'General case' 0 CA--C 1.468 -2.19 0 C-N-CA 131.485 3.914 . . . . 0.0 107.481 -177.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' ARG . . . . . 0.434 ' C ' ' HE ' ' B' ' 110' ' ' ARG . 0.0 OUTLIER -8.57 -60.4 0.0 OUTLIER 'General case' 0 N--CA 1.412 -2.349 1 C-N-CA 133.964 4.906 . . . . 0.0 115.637 -178.546 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 47.4 m -35.76 -39.53 0.15 Allowed 'General case' 0 C--N 1.363 1.184 0 C-N-CA 130.76 3.624 . . . . 0.0 116.694 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -26.03 40.97 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 131.43 3.892 . . . . 0.0 117.428 -177.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 . . . . . 0 N--CA 1.423 -1.811 0 C-N-CA 126.346 1.858 . . . . 0.0 111.903 -169.735 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 . . . . . 0 CA--C 1.507 -0.693 0 CA-C-O 116.088 -1.91 . . . . 0.0 113.108 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . 0.536 0.0 OUTLIER -61.22 116.76 21.05 Favored Pre-proline 0 C--N 1.392 2.451 0 CA-C-N 121.004 1.729 . . . . 0.0 108.901 -178.771 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -75.3 179.33 6.26 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.461 2.108 . . . . 0.0 117.445 -170.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.13 106.29 0.83 Allowed 'General case' 0 CA--C 1.48 -1.721 1 C-N-CA 133.458 4.703 . . . . 0.0 103.712 179.096 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -18.32 -43.98 0.0 OUTLIER 'General case' 0 N--CA 1.415 -2.224 1 C-N-CA 132.598 4.359 . . . . 0.0 120.469 -175.29 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 67.5 m -44.83 -25.63 0.32 Allowed 'General case' 0 C--N 1.36 1.042 0 C-N-CA 129.73 3.212 . . . . 0.0 116.117 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -84.38 -54.23 4.92 Favored 'General case' 0 N--CA 1.429 -1.523 0 C-N-CA 130.908 3.683 . . . . 0.0 110.246 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . 0.275 6.3 ptt180 . . . . . 0 N--CA 1.422 -1.833 0 CA-C-O 124.979 2.323 . . . . 0.0 109.729 -178.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . 0.258 21.8 mmm180 . . . . . 0 C--O 1.235 0.325 0 CA-C-O 116.106 -1.902 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . 0.407 ' HA ' ' HD3' ' B' ' 108' ' ' PRO 0.605 0.0 OUTLIER -35.26 122.71 0.61 Allowed Pre-proline 0 C--N 1.392 2.455 0 N-CA-C 116.686 2.106 . . . . 0.0 116.686 -177.197 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 107' ' ' ARG . 10.3 Cg_endo -71.02 174.34 10.74 Favored 'Trans proline' 0 C--N 1.364 1.379 0 O-C-N 124.709 1.899 . . . . 0.0 114.749 -174.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.07 106.26 1.02 Allowed 'General case' 0 CA--C 1.464 -2.342 1 C-N-CA 132.936 4.494 . . . . 0.0 106.016 -176.378 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' ARG . . . . . 0.502 ' C ' ' HE ' ' B' ' 110' ' ' ARG . 0.7 OUTLIER -9.21 -60.54 0.0 OUTLIER 'General case' 0 N--CA 1.406 -2.669 1 C-N-CA 133.344 4.658 . . . . 0.0 115.879 -178.977 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 69.8 m -40.69 -35.9 0.54 Allowed 'General case' 0 C--N 1.361 1.098 0 N-CA-C 117.8 2.518 . . . . 0.0 117.8 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -32.03 68.32 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 129.081 2.952 . . . . 0.0 115.024 -178.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . 0.26 11.3 mtm180 . . . . . 0 N--CA 1.425 -1.706 0 C-N-CA 127.792 2.437 . . . . 0.0 113.571 -170.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 . . . . . 0 N--CA 1.446 -0.673 0 CA-C-O 115.718 -2.087 . . . . 0.0 113.896 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . 0.609 0.3 OUTLIER -53.28 123.74 36.46 Favored Pre-proline 0 C--N 1.395 2.582 0 CA-C-N 121.99 2.177 . . . . 0.0 113.234 -176.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -74.34 176.68 9.32 Favored 'Trans proline' 0 C--N 1.358 1.053 0 O-C-N 124.325 1.697 . . . . 0.0 116.142 -174.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 103.28 0.59 Allowed 'General case' 0 CA--C 1.465 -2.291 1 C-N-CA 135.625 5.57 . . . . 0.0 105.461 -176.586 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' ARG . . . . . 0.572 HH21 ' HB2' ' B' ' 113' ' ' ARG . 3.8 tpm_? -15.69 -50.4 0.0 OUTLIER 'General case' 0 N--CA 1.421 -1.879 1 C-N-CA 131.859 4.064 . . . . 0.0 117.108 -177.532 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 49.8 m -42.54 -30.76 0.38 Allowed 'General case' 0 C--N 1.364 1.222 0 C-N-CA 130.041 3.336 . . . . 0.0 116.031 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.22 -52.01 8.25 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 131.112 3.765 . . . . 0.0 109.939 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.572 ' HB2' HH21 ' B' ' 110' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.425 -1.716 0 C-N-CA 129.172 2.989 . . . . 0.0 107.187 -177.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . 0.463 12.9 mmm180 . . . . . 0 C--O 1.24 0.554 0 CA-C-O 114.473 -2.68 . . . . 0.0 116.079 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . 0.711 0.3 OUTLIER -62.58 117.41 31.1 Favored Pre-proline 0 C--N 1.399 2.746 0 CA-C-N 123.512 2.869 . . . . 0.0 110.761 178.716 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -67.67 173.75 8.53 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.265 2.643 . . . . 0.0 115.276 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 128.92 37.97 Favored 'General case' 0 CA--C 1.473 -1.987 1 C-N-CA 133.147 4.579 . . . . 0.0 107.711 -176.632 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -27.29 -50.41 0.05 Allowed 'General case' 0 N--CA 1.424 -1.747 0 C-N-CA 129.694 3.198 . . . . 0.0 118.415 -176.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 51.1 m -48.82 -26.44 2.4 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 130.253 3.421 . . . . 0.0 117.912 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . 0.279 3.3 pm0 -87.94 -36.71 16.95 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 126.413 1.885 . . . . 0.0 113.661 -177.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 . . . . . 0 N--CA 1.438 -1.033 0 C-N-CA 130.871 3.668 . . . . 0.0 108.281 -177.489 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 . . . . . 0 N--CA 1.445 -0.693 0 CA-C-O 115.831 -2.033 . . . . 0.0 113.993 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . 0.668 0.0 OUTLIER -50.77 114.43 4.68 Favored Pre-proline 0 C--N 1.397 2.662 0 CA-C-N 120.93 1.695 . . . . 0.0 112.009 -176.02 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -70.46 178.54 4.89 Favored 'Trans proline' 0 C--N 1.351 0.707 0 O-C-N 125.322 2.222 . . . . 0.0 115.081 -174.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.36 106.67 0.94 Allowed 'General case' 0 CA--C 1.467 -2.238 1 C-N-CA 134.774 5.23 . . . . 0.0 105.396 -176.722 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' ARG . . . . . 0.446 ' C ' ' HE ' ' B' ' 110' ' ' ARG . 2.2 tpm_? -11.66 -61.28 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.505 1 C-N-CA 132.306 4.242 . . . . 0.0 116.062 -177.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 59.6 m -38.59 -37.23 0.3 Allowed 'General case' 0 C--N 1.365 1.267 0 C-N-CA 128.026 2.53 . . . . 0.0 117.723 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -26.25 57.7 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 129.719 3.208 . . . . 0.0 116.35 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 . . . . . 0 N--CA 1.42 -1.964 0 C-N-CA 126.204 1.802 . . . . 0.0 111.503 -169.416 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.605 ' CD ' ' H ' ' B' ' 107' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.866 0 CA-C-O 118.813 -0.613 . . . . 0.0 112.539 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . 0.605 ' H ' ' CD ' ' B' ' 106' ' ' ARG 0.433 0.0 OUTLIER -57.37 115.21 10.0 Favored Pre-proline 0 C--N 1.386 2.192 0 C-N-CA 131.493 3.917 . . . . 0.0 107.798 -177.222 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 107' ' ' ARG . 7.7 Cg_exo -68.42 -179.09 2.12 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 O-C-N 124.722 1.906 . . . . 0.0 114.468 -175.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.89 102.87 1.33 Allowed 'General case' 0 CA--C 1.477 -1.858 1 C-N-CA 135.478 5.511 . . . . 0.0 102.872 -177.443 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' ARG . . . . . 0.423 HH21 ' HB2' ' B' ' 113' ' ' ARG . 4.6 tpm_? -10.53 -48.2 0.0 OUTLIER 'General case' 0 N--CA 1.419 -2.005 1 C-N-CA 133.333 4.653 . . . . 0.0 118.821 -176.85 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 49.5 m -41.35 -28.38 0.11 Allowed 'General case' 0 C--N 1.366 1.314 0 C-N-CA 130.473 3.509 . . . . 0.0 115.948 176.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.0 -60.58 2.2 Favored 'General case' 0 N--CA 1.43 -1.445 1 C-N-CA 133.7 4.8 . . . . 0.0 110.832 -179.63 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.423 ' HB2' HH21 ' B' ' 110' ' ' ARG . 7.8 mtm180 . . . . . 0 N--CA 1.43 -1.47 1 C-N-CA 132.335 4.254 . . . . 0.0 109.785 -172.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.925 0 C1'-O4'-C4' 110.791 1.324 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.445 2.621 1 O4'-C1'-N19 113.336 5.136 . 0.731 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . 0.418 " H2'" ' C6 ' ' A' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.446 2.657 1 N19-C1'-C2' 121.914 5.322 . 0.799 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.418 ' C6 ' " H2'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.454 3.356 1 O4'-C1'-N19 113.836 5.636 OUTLIER-EPSILON 0.422 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . 0.454 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 P--O3' 1.567 -3.339 2 P-O3'-C3' 136.632 14.11 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.79 1 O4'-C1'-N19 112.582 4.382 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.818 3 P-O3'-C3' 125.31 4.675 . 0.365 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.946 1 O4'-C1'-N19 113.314 5.114 . 0.732 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . 0.518 HO2' ' H6 ' ' A' ' 10' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.566 4.276 0 O4'-C1'-N19 111.571 3.371 . 0.644 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ' U' . . . . . 0.518 ' H6 ' HO2' ' A' ' 9' ' ' ' G' . . . . . . . . 0 P--O3' 1.592 -1.274 2 C5'-C4'-C3' 122.119 4.413 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.466 ' C5 ' ' C4 ' ' A' ' 12' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.557 3.62 0 O4'-C1'-N19 111.411 3.211 . 0.589 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ' C' . . . . . 0.466 ' C4 ' ' C5 ' ' A' ' 11' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.452 3.141 1 O4'-C1'-N19 114.949 6.749 . 0.647 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.342 0 C5'-C4'-O4' 113.598 3.141 . 0.87 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.643 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.551 2.352 0 N19-C1'-C2' 119.752 3.97 OUTLIER-EPSILON 0.104 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . 0.643 ' C8 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 1 C2'--C1' 1.586 5.833 4 P-O3'-C3' 134.392 12.243 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . 0.498 ' C8 ' " H1'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.707 2 P-O3'-C3' 130.778 9.232 . 0.065 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . 0.51 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.565 4.243 0 C5'-C4'-C3' 110.647 -3.235 OUTLIER-DELTA 0.104 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ' U' . . . . . 0.51 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.56 3.873 2 P-O3'-C3' 126.126 5.355 . 0.037 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ' A' . . . . . 0.521 ' C5 ' ' C5 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.544 2.607 1 N19-C1'-C2' 121.379 4.987 . 0.244 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . 0.521 ' C5 ' ' C5 ' ' A' ' 19' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.707 2 P-O3'-C3' 131.676 9.98 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ' G' . . . . . 0.605 " H4'" HH11 ' B' ' 107' ' ' ARG . . . . . . . . 0 C2'--C1' 1.499 -2.882 3 O5'-C5'-C4' 121.743 8.245 . 0.015 7p . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.756 1 C1'-O4'-C4' 105.867 -4.147 . 0.02 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.558 3.698 1 O4'-C1'-N19 113.16 4.96 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.515 1 P-O3'-C3' 135.55 13.209 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.534 2 O4'-C1'-N19 112.973 4.773 . 0.075 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.941 2 O4'-C1'-N19 114.973 6.773 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.153 1 P-O3'-C3' 127.556 6.547 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.557 3.585 1 O4'-C1'-N19 113.584 5.384 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.056 0 N19-C1'-C2' 117.705 2.691 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.569 0 O4'-C1'-N19 111.706 3.506 . 0.498 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.052 0 O4'-C1'-N19 111.85 3.65 . 0.553 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.638 0 P-O3'-C3' 123.426 3.105 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.844 0 C5'-C4'-O4' 113.32 2.943 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 57.2 ttm . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -66.91 175.15 5.78 Favored 'Trans proline' 0 C--N 1.371 1.738 0 C-N-CA 121.256 1.304 . . . . 0.0 113.761 178.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -59.98 144.84 48.16 Favored 'General case' 0 C--N 1.37 1.496 0 C-N-CA 126.977 2.111 . . . . 0.0 111.522 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . 0.325 6.2 t -83.35 128.27 34.37 Favored 'General case' 0 C--N 1.367 1.356 0 CA-C-O 123.348 1.547 . . . . 0.0 110.021 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -108.32 170.97 7.68 Favored 'General case' 0 N--CA 1.434 -1.232 0 C-N-CA 130.68 3.592 . . . . 0.0 113.313 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.447 ' HE ' " H5'" ' A' ' 19' ' ' ' A' . 22.1 tpp180 -124.33 -69.8 0.79 Allowed 'General case' 0 C--N 1.373 1.611 0 CA-C-O 116.2 -1.857 . . . . 0.0 111.555 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.605 HH11 " H4'" ' A' ' 21' ' ' ' G' 0.502 0.1 OUTLIER -60.64 126.3 84.71 Favored Pre-proline 0 C--N 1.393 2.486 0 CA-C-N 121.313 1.869 . . . . 0.0 109.997 -179.296 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -81.79 -177.04 3.33 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 O-C-N 124.631 1.858 . . . . 0.0 115.71 -169.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.454 ' CZ ' ' C8 ' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -65.3 106.42 1.35 Allowed 'General case' 0 CA--C 1.474 -1.956 1 C-N-CA 131.711 4.004 . . . . 0.0 105.35 -178.311 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -13.46 -49.06 0.0 OUTLIER 'General case' 0 N--CA 1.426 -1.674 1 C-N-CA 133.626 4.771 . . . . 0.0 116.309 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 52.7 m -42.71 -30.93 0.41 Allowed 'General case' 0 C--N 1.364 1.207 0 C-N-CA 130.209 3.404 . . . . 0.0 116.357 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -79.23 -44.56 21.56 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 130.81 3.644 . . . . 0.0 113.069 -177.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -68.12 96.72 0.65 Allowed 'General case' 0 N--CA 1.434 -1.239 0 C-N-CA 130.899 3.679 . . . . 0.0 107.377 -177.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . 0.341 5.9 ttpm? -94.3 -99.71 0.15 Allowed 'General case' 0 N--CA 1.421 -1.882 0 C-N-CA 130.742 3.617 . . . . 0.0 106.126 -176.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -63.33 120.46 62.18 Favored Pre-proline 0 CA--C 1.54 0.59 0 C-N-CA 130.373 3.469 . . . . 0.0 110.089 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo . . . . . 0 C--N 1.371 1.711 0 CA-C-O 117.327 -1.197 . . . . 0.0 110.779 178.085 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.195 0 C4'-C3'-C2' 104.237 1.537 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.489 " H2'" ' H8 ' ' A' ' 3' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.549 3.029 1 O4'-C1'-N19 113.175 4.975 . 0.507 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . 0.489 ' H8 ' " H2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.555 3.466 1 N19-C1'-C2' 121.724 5.202 . 0.805 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.456 3.537 1 O4'-C1'-N19 113.64 5.44 OUTLIER-EPSILON 0.517 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . 0.47 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 P--O3' 1.569 -3.17 2 P-O3'-C3' 135.866 13.472 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.034 0 O4'-C1'-N19 112.066 3.866 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.71 2 C3'-C2'-C1' 106.259 5.287 . 0.288 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . 0.472 ' C8 ' ' C5 ' ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.539 2.259 2 N19-C1'-C2' 121.275 4.922 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . 0.522 HO2' ' H5 ' ' A' ' 10' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.555 3.463 0 O4'-C1'-C2' 101.826 -3.267 . 0.18 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ' U' . . . . . 0.522 ' H5 ' HO2' ' A' ' 9' ' ' ' G' . . . . . . . . 0 P--O3' 1.592 -1.274 3 C5'-C4'-C3' 122.867 4.912 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.56 3.841 0 O4'-C1'-N19 111.179 2.979 . 0.397 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.454 3.333 3 O4'-C1'-N19 114.959 6.759 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.058 0 P-O3'-C3' 123.398 3.082 . 0.92 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.638 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.551 2.335 1 C5'-C4'-C3' 121.601 4.067 OUTLIER-EPSILON 0.082 1g . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . 0.638 ' C8 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 1 C2'--C1' 1.58 5.197 3 P-O3'-C3' 134.33 12.191 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . 0.459 ' C8 ' " H1'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.669 1 P-O3'-C3' 129.34 8.034 . 0.136 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . 0.486 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.565 4.266 0 C5'-C4'-C3' 110.381 -3.412 OUTLIER-DELTA 0.079 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ' U' . . . . . 0.486 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.554 3.392 1 P-O3'-C3' 126.141 5.367 . 0.029 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.484 1 N19-C1'-C2' 125.48 7.55 . 0.065 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.445 2.6 2 O4'-C1'-N19 112.818 4.618 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ' G' . . . . . 0.625 " H4'" HH11 ' B' ' 107' ' ' ARG . . . . . . . . 0 C2'--C1' 1.505 -2.349 3 O5'-C5'-C4' 120.487 7.348 . 0.01 7p . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.575 -2.653 0 N19-C1'-C2' 119.612 3.882 . 0.014 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.557 3.602 1 O4'-C1'-N19 112.338 4.138 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.815 1 P-O3'-C3' 125.957 5.214 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . 0.4 ' C2 ' ' C6 ' ' A' ' 26' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.562 4.027 1 O4'-C1'-N19 112.313 4.113 OUTLIER-EPSILON 0.212 1t . 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ' U' . . . . . 0.4 ' C6 ' ' C2 ' ' A' ' 25' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.546 2.801 2 P-O3'-C3' 137.526 14.855 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ' A' . . . . . 0.433 " H3'" ' C6 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.54 2.286 2 P-O3'-C3' 126.399 5.582 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . 0.433 ' C6 ' " H3'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.559 3.77 1 O4'-C1'-N19 112.623 4.423 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.565 0 N19-C1'-C2' 118.889 3.43 . 0.298 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.484 1 P-O3'-C3' 124.535 4.029 . 0.055 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.935 1 O4'-C1'-N19 112.231 4.031 . 0.434 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.556 2.844 0 P-O3'-C3' 123.664 3.303 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.797 1 P-O3'-C3' 126.96 6.05 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 21.3 ptp . . . . . 0 N--CA 1.495 1.78 0 N-CA-C 114.128 1.159 . . . . 0.0 114.128 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -68.42 158.83 55.98 Favored 'Trans proline' 0 C--N 1.374 1.906 0 CA-C-N 119.836 0.977 . . . . 0.0 112.818 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -93.43 -32.98 14.01 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 127.124 2.17 . . . . 0.0 116.277 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 38.1 p -55.72 158.5 3.53 Favored 'General case' 0 N--CA 1.438 -1.033 1 C-N-CA 133.823 4.849 . . . . 0.0 115.33 -178.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 23.6 tpt85 -75.68 136.09 40.4 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 129.055 2.942 . . . . 0.0 110.314 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . 0.329 0.0 OUTLIER -84.55 -64.75 1.1 Allowed 'General case' 0 C--N 1.374 1.669 0 CA-C-O 116.032 -1.937 . . . . 0.0 115.927 -177.424 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.625 HH11 " H4'" ' A' ' 21' ' ' ' G' 0.593 0.8 OUTLIER -57.79 115.13 10.03 Favored Pre-proline 0 C--N 1.392 2.454 0 CA-C-N 121.894 2.134 . . . . 0.0 110.579 -179.36 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 107' ' ' ARG . 5.7 Cg_endo -68.83 170.16 16.06 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.328 2.019 . . . . 0.0 116.259 -173.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.47 ' CZ ' ' C8 ' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -59.75 112.09 1.69 Allowed 'General case' 0 CA--C 1.468 -2.182 0 C-N-CA 131.698 3.999 . . . . 0.0 107.706 -177.727 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -14.81 -52.86 0.0 OUTLIER 'General case' 0 N--CA 1.414 -2.24 1 C-N-CA 133.857 4.863 . . . . 0.0 116.532 -178.262 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 70.0 m -40.79 -35.7 0.53 Allowed 'General case' 0 C--N 1.364 1.21 0 C-N-CA 129.285 3.034 . . . . 0.0 115.509 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -48.79 16.79 Favored 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 130.526 3.531 . . . . 0.0 111.577 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.406 ' HA ' ' C4 ' ' A' ' 21' ' ' ' G' . 0.5 OUTLIER -71.97 107.85 4.91 Favored 'General case' 0 N--CA 1.426 -1.666 0 C-N-CA 128.23 2.612 . . . . 0.0 108.61 -177.797 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -92.56 89.08 6.57 Favored 'General case' 0 N--CA 1.426 -1.668 0 N-CA-C 103.391 -2.818 . . . . 0.0 103.391 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -98.12 121.14 58.15 Favored Pre-proline 0 C--N 1.366 1.301 0 C-N-CA 127.082 2.153 . . . . 0.0 108.51 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo . . . . . 0 C--N 1.371 1.747 0 CA-C-O 117.309 -1.205 . . . . 0.0 112.395 178.298 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.258 0 C5'-C4'-O4' 111.824 1.874 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.839 0 O4'-C1'-N19 112.05 3.85 . 0.49 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . 0.469 " H2'" ' C6 ' ' A' ' 4' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.546 2.746 0 N19-C1'-C2' 119.617 3.886 OUTLIER-EPSILON 0.709 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.469 ' C6 ' " H2'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.548 2.907 2 P-O3'-C3' 134.687 12.49 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . 0.451 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 C5'--C4' 1.55 3.111 2 P-O3'-C3' 128.946 7.705 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.922 1 O4'-C1'-N19 112.462 4.262 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.467 2 O4'-C1'-N19 113.015 4.815 . 0.505 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.598 2 O4'-C1'-N19 112.545 4.345 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . 0.551 HO2' ' H6 ' ' A' ' 10' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.561 3.892 0 O4'-C1'-N19 111.916 3.716 . 0.378 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ' U' . . . . . 0.551 ' H6 ' HO2' ' A' ' 9' ' ' ' G' . . . . . . . . 0 C2'--O2' 1.429 1.246 3 C5'-C4'-C3' 122.745 4.83 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.522 0 N19-C1'-C2' 117.896 2.81 . 0.51 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.454 3.301 2 O4'-C1'-N19 114.969 6.769 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.428 0 P-O3'-C3' 123.718 3.348 . 0.929 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.637 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.548 2.1 2 N19-C1'-C2' 121.354 4.971 . 0.075 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . 0.637 ' C8 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 1 C2'--C1' 1.572 4.405 3 O4'-C1'-N19 99.281 -8.919 . 0.0 OUTLIER '7D dist 7r' 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . 0.46 ' C8 ' " H1'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.546 2.742 1 P-O3'-C3' 129.417 8.097 . 0.061 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . 0.586 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.579 5.316 1 O5'-C5'-C4' 119.082 6.344 . 0.318 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ' U' . . . . . 0.586 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.562 4.01 1 P-O3'-C3' 128.336 7.197 . 0.416 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ' A' . . . . . 0.424 ' C5 ' ' C5 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.673 1 N19-C1'-C2' 122.017 5.386 . 0.387 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . 0.424 ' C5 ' ' C5 ' ' A' ' 19' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.554 3.369 1 O4'-C1'-N19 115.35 7.15 . 0.228 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ' G' . . . . . 0.51 " H4'" HH11 ' B' ' 107' ' ' ARG . . . . . . . . 0 C5'--C4' 1.546 2.737 2 O5'-C5'-C4' 120.881 7.629 . 0.01 7p . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.556 2.83 4 P-O3'-C3' 128.248 7.123 . 0.096 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.557 3.64 1 O4'-C1'-N19 112.52 4.32 . 0.127 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.509 1 P-O3'-C3' 125.698 4.999 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.302 2 C3'-C2'-C1' 106.239 5.266 . 0.01 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ' U' . . . . . 0.511 ' H3 ' HH22 ' B' ' 109' ' ' ARG . . . . . . . . 0 C5'--C4' 1.552 3.235 1 O4'-C1'-N19 114.086 5.886 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.463 1 P-O3'-C3' 126.318 5.515 . 0.111 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.561 3.927 0 N19-C1'-C2' 119.62 3.887 . 0.567 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.64 0 P-O3'-C3' 123.22 2.933 . 0.316 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.658 0 O4'-C1'-N19 111.349 3.149 . 0.392 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.035 0 O4'-C1'-N19 111.815 3.615 . 0.475 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.747 1 P-O3'-C3' 124.56 4.05 . 0.437 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.989 1 P-O3'-C3' 125.072 4.477 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 4.8 mpp? . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 115.039 -2.41 . . . . 0.0 112.761 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.66 154.76 70.78 Favored 'Trans proline' 0 C--N 1.375 1.952 0 CA-C-N 123.369 2.239 . . . . 0.0 114.897 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -79.85 -164.54 0.68 Allowed 'General case' 0 C--N 1.365 1.239 0 C-N-CA 127.574 2.35 . . . . 0.0 110.624 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . 0.259 14.7 t -56.78 -55.5 33.46 Favored 'General case' 0 C--N 1.371 1.508 0 C-N-CA 126.748 2.019 . . . . 0.0 112.629 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -100.48 129.35 46.42 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 127.641 2.376 . . . . 0.0 111.08 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . 0.39 0.1 OUTLIER -87.55 -70.7 0.61 Allowed 'General case' 0 C--N 1.378 1.84 0 CA-C-O 115.348 -2.263 . . . . 0.0 116.484 -177.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.51 HH11 " H4'" ' A' ' 21' ' ' ' G' 0.559 0.0 OUTLIER -59.61 122.18 62.81 Favored Pre-proline 0 C--N 1.396 2.616 0 CA-C-N 122.669 2.486 . . . . 0.0 110.029 -179.256 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -78.49 179.63 6.31 Favored 'Trans proline' 0 C--N 1.351 0.666 0 N-CA-C 117.729 2.165 . . . . 0.0 117.729 -171.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.511 HH22 ' H3 ' ' A' ' 26' ' ' ' U' . 0.0 OUTLIER -66.84 108.3 2.49 Favored 'General case' 0 CA--C 1.481 -1.684 1 C-N-CA 135.38 5.472 . . . . 0.0 103.558 179.611 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -20.45 -44.29 0.0 OUTLIER 'General case' 0 N--CA 1.416 -2.147 1 C-N-CA 132.156 4.182 . . . . 0.0 120.352 -175.421 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 69.2 m -46.0 -25.45 0.56 Allowed 'General case' 0 C--N 1.361 1.092 0 C-N-CA 129.627 3.171 . . . . 0.0 115.863 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -85.93 -51.73 6.18 Favored 'General case' 0 N--CA 1.433 -1.316 0 C-N-CA 130.289 3.436 . . . . 0.0 110.404 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . 0.258 2.7 ptt180 -69.98 112.21 6.23 Favored 'General case' 0 N--CA 1.426 -1.66 0 C-N-CA 126.817 2.047 . . . . 0.0 109.064 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -95.37 -13.95 24.27 Favored 'General case' 0 N--CA 1.436 -1.172 0 C-N-CA 131.23 3.812 . . . . 0.0 114.495 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -96.26 162.2 24.46 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 130.055 3.342 . . . . 0.0 110.331 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo . . . . . 0 C--N 1.373 1.858 0 C-N-CA 121.264 1.31 . . . . 0.0 113.217 -179.634 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . 0.457 " H2'" ' C8 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.539 2.247 0 C5'-C4'-O4' 111.608 1.72 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.457 ' C8 ' " H2'" ' A' ' 1' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.547 2.883 0 O4'-C1'-N19 112.067 3.867 . 0.466 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . 0.442 " H2'" ' C6 ' ' A' ' 4' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.551 3.157 1 N19-C1'-C2' 121.962 5.351 . 0.824 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.442 ' C6 ' " H2'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.456 3.541 1 O4'-C1'-N19 113.47 5.27 OUTLIER-EPSILON 0.486 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . 0.448 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 P--O3' 1.566 -3.408 2 P-O3'-C3' 136.397 13.914 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.863 1 O4'-C1'-N19 112.56 4.36 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . 0.456 " H2'" ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.544 2.64 1 C3'-C2'-C1' 105.528 4.475 . 0.367 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . 0.456 ' C8 ' " H2'" ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.547 2.82 2 O4'-C1'-N19 112.999 4.799 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . 0.433 HO2' ' H6 ' ' A' ' 10' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.561 3.926 0 C1'-C2'-O2' 119.093 2.831 . 0.434 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ' U' . . . . . 0.433 ' H6 ' HO2' ' A' ' 9' ' ' ' G' . . . . . . . . 0 P--O3' 1.59 -1.38 3 C5'-C4'-C3' 122.859 4.906 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.461 ' C5 ' ' C4 ' ' A' ' 12' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.557 3.636 0 O4'-C1'-N19 111.715 3.515 . 0.518 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ' C' . . . . . 0.461 ' C4 ' ' C5 ' ' A' ' 11' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.449 2.884 1 O4'-C1'-N19 115.067 6.867 . 0.521 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.084 0 P-O3'-C3' 123.581 3.234 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.645 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.548 2.128 2 N19-C1'-C2' 122.654 5.783 . 0.032 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . 0.645 ' C8 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 1 C2'--C1' 1.582 5.439 4 P-O3'-C3' 130.275 8.813 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . 0.597 ' C8 ' " H1'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.556 3.561 1 P-O3'-C3' 136.069 13.641 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . 0.452 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.565 4.204 0 C2'-C3'-O3' 121.18 3.636 OUTLIER-EPSILON 0.707 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ' U' . . . . . 0.452 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.553 3.333 2 P-O3'-C3' 137.668 14.974 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.68 1 N19-C1'-C2' 124.6 7.0 . 0.142 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.445 2.605 1 O4'-C1'-N19 112.614 4.414 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ' G' . . . . . 0.459 " H4'" HH11 ' B' ' 107' ' ' ARG . . . . . . . . 0 C5'--C4' 1.545 2.656 3 O5'-C5'-C4' 121.667 8.19 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.571 -2.976 0 C1'-O4'-C4' 106.119 -3.868 . 0.022 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.137 0 O4'-C1'-N19 111.86 3.66 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.743 0 O4'-C1'-N19 111.073 2.873 . 0.416 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.008 2 O4'-C1'-N19 113.236 5.036 . 0.046 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ' U' . . . . . 0.468 ' H3 ' HH22 ' B' ' 109' ' ' ARG . . . . . . . . 0 C5'--C4' 1.551 3.142 1 O4'-C1'-N19 115.33 7.13 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.326 1 P-O3'-C3' 127.073 6.144 . 0.108 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.755 0 O4'-C1'-N19 111.181 2.981 . 0.452 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.881 0 O4'-C1'-N19 110.683 2.483 . 0.891 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.05 0 O4'-C1'-N19 111.668 3.468 . 0.639 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.153 0 P-O3'-C3' 123.664 3.304 . 0.495 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.557 2.856 1 P-O3'-C3' 124.957 4.381 . 0.402 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.932 1 P-O3'-C3' 126.014 5.261 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 30.1 mmt . . . . . 0 N--CA 1.496 1.834 0 CA-C-O 118.427 -0.797 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -61.42 -21.3 71.51 Favored 'Trans proline' 0 C--N 1.376 1.99 0 N-CA-C 115.768 1.411 . . . . 0.0 115.768 178.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -83.77 -166.7 1.47 Allowed 'General case' 0 C--N 1.365 1.239 0 C-N-CA 127.893 2.477 . . . . 0.0 109.512 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 5.5 t -57.07 -41.66 79.17 Favored 'General case' 0 C--N 1.372 1.544 0 C-N-CA 128.032 2.533 . . . . 0.0 112.632 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 7.2 tpt85 -67.01 140.66 57.72 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 128.841 2.856 . . . . 0.0 111.709 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -114.77 -64.05 1.37 Allowed 'General case' 0 C--N 1.372 1.545 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -173.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.459 HH11 " H4'" ' A' ' 21' ' ' ' G' 0.579 0.0 OUTLIER -54.04 124.25 44.15 Favored Pre-proline 0 C--N 1.388 2.271 0 CA-C-N 121.454 1.934 . . . . 0.0 112.476 -177.798 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -75.0 179.8 5.73 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 122.243 1.962 . . . . 0.0 116.881 -173.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.468 HH22 ' H3 ' ' A' ' 26' ' ' ' U' . 0.0 OUTLIER -65.7 104.92 1.13 Allowed 'General case' 0 CA--C 1.47 -2.124 1 C-N-CA 131.789 4.036 . . . . 0.0 106.56 -177.857 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ARG . . . . . 0.54 HH21 ' HB2' ' B' ' 113' ' ' ARG . 4.8 tpm_? -12.39 -52.87 0.0 OUTLIER 'General case' 0 N--CA 1.418 -2.047 1 C-N-CA 132.609 4.364 . . . . 0.0 117.478 -178.313 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 60.9 m -43.19 -30.6 0.49 Allowed 'General case' 0 C--N 1.366 1.286 0 C-N-CA 129.67 3.188 . . . . 0.0 116.338 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -76.84 -49.48 15.67 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 130.981 3.712 . . . . 0.0 110.647 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.54 ' HB2' HH21 ' B' ' 110' ' ' ARG . 3.9 mtm180 -69.77 106.54 3.15 Favored 'General case' 0 N--CA 1.428 -1.569 0 C-N-CA 129.671 3.188 . . . . 0.0 106.515 -177.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -94.92 122.99 38.13 Favored 'General case' 0 N--CA 1.421 -1.879 0 C-N-CA 130.365 3.466 . . . . 0.0 107.556 -177.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -94.06 130.77 33.34 Favored Pre-proline 0 C--N 1.358 0.955 0 C-N-CA 127.098 2.159 . . . . 0.0 109.536 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . 2.544 63.0 Cg_endo . . . . . 0 C--O 1.263 1.731 0 CA-C-O 117.296 -1.21 . . . . 0.0 112.229 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.213 0 O4'-C1'-N19 109.656 1.456 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.595 0 O4'-C1'-N19 111.855 3.655 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . 0.455 " H2'" ' C6 ' ' A' ' 4' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.546 2.777 1 N19-C1'-C2' 121.99 5.369 . 0.872 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.455 ' C6 ' " H2'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.456 3.516 1 O4'-C1'-N19 113.541 5.341 OUTLIER-EPSILON 0.478 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . 0.454 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 P--O3' 1.566 -3.439 2 P-O3'-C3' 137.07 14.475 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.562 1 O4'-C1'-N19 113.207 5.007 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . 0.455 " H2'" ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.541 2.408 3 P-O3'-C3' 134.037 11.948 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . 0.562 ' C8 ' ' C5 ' ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.544 2.652 2 N19-C1'-C2' 122.725 5.828 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . 0.562 ' C5 ' ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.566 3.754 0 C5'-C4'-C3' 109.792 -3.806 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ' U' . . . . . 0.542 ' H6 ' HO2' ' A' ' 9' ' ' ' G' . . . . . . . . 0 P--O3' 1.592 -1.253 1 C5'-C4'-C3' 122.383 4.589 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.437 ' C5 ' ' C4 ' ' A' ' 12' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.553 3.319 0 C5'-C4'-O4' 113.066 2.761 . 0.721 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ' C' . . . . . 0.437 ' C4 ' ' C5 ' ' A' ' 11' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.45 2.991 1 O4'-C1'-N19 115.133 6.933 . 0.488 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.3 0 C5'-C4'-O4' 113.359 2.971 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.551 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.546 1.939 1 C5'-C4'-C3' 121.925 4.284 OUTLIER-EPSILON 0.092 1g . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . 0.614 " H1'" ' C8 ' ' A' ' 16' ' ' ' A' . . . . . . . . 1 C2'--C1' 1.579 5.078 5 P-O3'-C3' 136.072 13.643 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . 0.614 ' C8 ' " H1'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.559 3.767 1 P-O3'-C3' 135.755 13.379 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.563 4.092 0 C1'-O4'-C4' 112.321 3.023 . 0.163 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.553 2 P-O3'-C3' 126.279 5.482 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ' A' . . . . . 0.473 " H5'" HH21 ' B' ' 106' ' ' ARG . . . . . . . . 0 C5'--C4' 1.545 2.655 1 N19-C1'-C2' 121.729 5.205 . 0.672 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . 0.472 ' C5 ' ' C5 ' ' A' ' 19' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.547 2.859 2 P-O3'-C3' 130.251 8.793 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ' G' . . . . . 0.569 ' C4 ' ' HB3' ' B' ' 113' ' ' ARG . . . . . . . . 0 C2'--C1' 1.493 -3.542 3 O5'-C5'-C4' 121.117 7.798 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.547 1.91 0 N19-C1'-C2' 119.333 3.708 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 3.057 1 O4'-C1'-N19 112.808 4.608 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.816 1 P-O3'-C3' 134.273 12.144 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.137 1 O4'-C1'-N19 113.312 5.112 . 0.095 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.087 1 O4'-C1'-N19 114.933 6.733 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ' A' . . . . . 0.441 " H3'" ' C6 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.54 2.317 1 N19-C1'-C2' 120.481 4.426 . 0.254 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . 0.441 ' C6 ' " H3'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.556 3.566 1 O4'-C1'-N19 113.557 5.357 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.087 0 O4'-C1'-N19 110.826 2.626 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.819 0 O4'-C1'-N19 111.657 3.457 . 0.67 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.009 0 O4'-C1'-N19 111.581 3.381 . 0.576 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.556 2.766 0 P-O3'-C3' 123.209 2.924 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.691 0 P-O3'-C3' 123.842 3.452 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.1 ttt . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 114.88 -2.486 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -66.96 160.27 47.93 Favored 'Trans proline' 0 C--N 1.377 2.053 0 CA-C-N 123.748 2.374 . . . . 0.0 112.824 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -70.66 147.58 48.98 Favored 'General case' 0 C--N 1.367 1.334 0 C-N-CA 125.529 1.531 . . . . 0.0 110.913 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 26.3 p -63.95 147.51 51.83 Favored 'General case' 0 C--N 1.367 1.337 0 C-N-CA 127.517 2.327 . . . . 0.0 113.49 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . 0.462 HH11 ' H ' ' B' ' 107' ' ' ARG . 0.2 OUTLIER -90.9 133.6 35.11 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 127.507 2.323 . . . . 0.0 107.544 178.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.473 HH21 " H5'" ' A' ' 19' ' ' ' A' 0.311 0.1 OUTLIER -72.39 -71.74 0.27 Allowed 'General case' 0 C--N 1.368 1.392 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 -176.502 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.477 ' HD2' " H4'" ' A' ' 21' ' ' ' G' 0.524 0.0 OUTLIER -59.13 120.71 49.78 Favored Pre-proline 0 C--N 1.389 2.295 0 CA-C-N 121.225 1.83 . . . . 0.0 109.72 -179.129 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -73.17 173.57 13.47 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.608 2.205 . . . . 0.0 116.447 -171.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.454 ' CZ ' ' C8 ' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -58.26 101.75 0.09 Allowed 'General case' 0 CA--C 1.468 -2.2 1 C-N-CA 131.846 4.058 . . . . 0.0 105.356 -178.376 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -10.69 -56.69 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.495 1 C-N-CA 133.151 4.581 . . . . 0.0 115.7 -176.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 33.4 m -33.62 -38.75 0.05 Allowed 'General case' 0 C--N 1.358 0.958 0 C-N-CA 128.966 2.906 . . . . 0.0 117.53 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.83 -41.8 78.07 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 131.375 3.87 . . . . 0.0 115.975 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.569 ' HB3' ' C4 ' ' A' ' 21' ' ' ' G' 0.448 4.8 ptt180 -80.25 -115.83 0.02 OUTLIER 'General case' 0 N--CA 1.426 -1.647 0 N-CA-C 119.05 2.981 . . . . 0.0 119.05 -169.255 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -56.82 78.87 0.01 OUTLIER 'General case' 0 N--CA 1.432 -1.34 1 C-N-CA 135.067 5.347 . . . . 0.0 115.808 -174.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -91.94 127.67 48.77 Favored Pre-proline 0 C--N 1.365 1.268 0 C-N-CA 125.684 1.593 . . . . 0.0 109.354 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo . . . . . 0 C--N 1.371 1.751 0 CA-C-O 117.305 -1.206 . . . . 0.0 112.84 179.02 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.253 0 C4'-C3'-C2' 104.241 1.541 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.601 1 O4'-C1'-N19 112.932 4.732 . 0.621 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.942 1 N19-C1'-C2' 121.03 4.769 . 0.846 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.457 3.55 1 O4'-C1'-N19 113.651 5.451 OUTLIER-EPSILON 0.504 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . 0.475 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 P--O3' 1.567 -3.332 3 P-O3'-C3' 136.621 14.101 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 2.514 1 O4'-C1'-N19 113.51 5.31 OUTLIER-EPSILON 0.064 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.249 2 P-O3'-C3' 134.746 12.538 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . 0.401 ' C8 ' ' C5 ' ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.542 2.483 2 P-O3'-C3' 134.495 12.329 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . 0.466 HO2' ' H6 ' ' A' ' 10' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.563 4.066 0 C1'-C2'-O2' 119.2 2.867 . 0.663 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ' U' . . . . . 0.466 ' H6 ' HO2' ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.525 1.188 3 C5'-C4'-C3' 122.679 4.786 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.557 3.614 0 O4'-C1'-N19 110.946 2.746 . 0.55 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.455 3.393 2 O4'-C1'-N19 114.926 6.726 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.061 0 P-O3'-C3' 123.745 3.371 . 0.881 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.534 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.545 1.837 1 C5'-C4'-C3' 121.951 4.301 OUTLIER-EPSILON 0.135 1g . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . 0.54 " H1'" ' C8 ' ' A' ' 16' ' ' ' A' . . . . . . . . 1 C2'--C1' 1.581 5.284 5 P-O3'-C3' 137.152 14.544 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . 0.54 ' C8 ' " H1'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.547 2.87 2 P-O3'-C3' 133.782 11.735 . 0.01 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . 0.526 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.565 4.243 0 C5'-C4'-C3' 110.85 -3.1 OUTLIER-DELTA 0.087 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ' U' . . . . . 0.526 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.742 1 P-O3'-C3' 126.508 5.674 . 0.026 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ' A' . . . . . 0.446 ' C5 ' ' C5 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.713 1 N19-C1'-C2' 123.728 6.455 . 0.23 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . 0.446 ' C5 ' ' C5 ' ' A' ' 19' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.441 2.279 2 P-O3'-C3' 132.167 10.389 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ' G' . . . . . 0.564 ' C4 ' ' HA ' ' B' ' 113' ' ' ARG . . . . . . . . 1 C2'--C1' 1.488 -4.037 3 O5'-C5'-C4' 122.211 8.579 . 0.01 7p . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.552 2.454 1 C1'-O4'-C4' 105.688 -4.347 . 0.01 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.558 3.719 1 O4'-C1'-N19 112.242 4.042 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.797 1 P-O3'-C3' 125.86 5.134 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.039 1 O4'-C1'-N19 112.934 4.734 . 0.091 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.967 3 O4'-C1'-N19 114.621 6.421 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ' A' . . . . . 0.431 " H3'" ' C6 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.544 2.625 1 N19-C1'-C2' 120.025 4.141 . 0.202 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . 0.431 ' C6 ' " H3'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.556 3.554 1 O4'-C1'-N19 112.824 4.624 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.874 0 O5'-C5'-C4' 113.619 2.442 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.908 0 O4'-C1'-N19 111.576 3.376 . 0.662 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.1 0 O4'-C1'-N19 111.885 3.685 . 0.471 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.837 1 P-O3'-C3' 125.222 4.602 . 0.433 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.273 0 P-O3'-C3' 124.439 3.949 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 117.972 -1.013 . . . . 0.0 113.678 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.32 -19.24 44.11 Favored 'Trans proline' 0 C--N 1.371 1.712 0 CA-C-O 117.348 -1.188 . . . . 0.0 114.548 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -83.74 159.46 21.47 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 127.334 2.254 . . . . 0.0 110.669 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 13.9 t -90.62 -58.73 2.39 Favored 'General case' 0 C--N 1.365 1.251 0 C-N-CA 126.571 1.948 . . . . 0.0 110.546 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . 0.432 HH11 ' H ' ' B' ' 107' ' ' ARG . 0.1 OUTLIER -88.24 147.29 24.91 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 128.246 2.618 . . . . 0.0 113.563 -177.717 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -93.76 -72.86 0.59 Allowed 'General case' 0 C--N 1.371 1.529 0 C-N-CA 127.862 2.465 . . . . 0.0 115.196 -177.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.558 HH11 " H4'" ' A' ' 21' ' ' ' G' 0.621 0.1 OUTLIER -52.15 116.84 9.04 Favored Pre-proline 0 C--N 1.397 2.655 0 CA-C-N 121.906 2.139 . . . . 0.0 111.874 -176.834 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . 0.433 ' HD2' ' H8 ' ' A' ' 21' ' ' ' G' . 1.7 Cg_endo -69.3 174.5 9.02 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.035 1.823 . . . . 0.0 115.322 -174.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.475 ' CZ ' ' C8 ' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -61.22 110.18 1.33 Allowed 'General case' 0 CA--C 1.468 -2.19 0 C-N-CA 131.485 3.914 . . . . 0.0 107.481 -177.17 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ARG . . . . . 0.513 HH22 ' HB2' ' B' ' 114' ' ' LYS . 0.0 OUTLIER -8.57 -60.4 0.0 OUTLIER 'General case' 0 N--CA 1.412 -2.349 1 C-N-CA 133.964 4.906 . . . . 0.0 115.637 -178.546 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 47.4 m -35.76 -39.53 0.15 Allowed 'General case' 0 C--N 1.363 1.184 0 C-N-CA 130.76 3.624 . . . . 0.0 116.694 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -26.03 40.97 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 131.43 3.892 . . . . 0.0 117.428 -177.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.564 ' HA ' ' C4 ' ' A' ' 21' ' ' ' G' . 17.2 mtm180 -71.32 -101.77 0.01 OUTLIER 'General case' 0 N--CA 1.423 -1.811 0 C-N-CA 126.346 1.858 . . . . 0.0 111.903 -169.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' LYS . . . . . 0.513 ' HB2' HH22 ' B' ' 110' ' ' ARG . 64.9 mmtt -68.74 93.27 0.52 Allowed 'General case' 0 N--CA 1.425 -1.722 0 C-N-CA 128.998 2.919 . . . . 0.0 110.735 -177.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -107.54 119.81 49.41 Favored Pre-proline 0 C--N 1.366 1.286 0 C-N-CA 126.74 2.016 . . . . 0.0 108.733 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo . . . . . 0 C--O 1.264 1.787 0 CA-C-N 120.011 1.04 . . . . 0.0 112.337 177.862 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.1 0 C5'-C4'-O4' 112.043 2.031 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.774 1 O4'-C1'-N19 112.311 4.111 . 0.796 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.018 1 N19-C1'-C2' 122.854 5.909 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.455 3.457 2 O4'-C1'-N19 113.796 5.596 OUTLIER-EPSILON 0.037 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . 0.454 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 P--O3' 1.565 -3.504 2 P-O3'-C3' 136.867 14.306 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.989 1 O4'-C1'-N19 112.393 4.193 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . 0.401 " H2'" ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.542 2.433 2 O4'-C1'-N19 113.284 5.084 . 0.56 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . 0.401 ' C8 ' " H2'" ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.549 3.007 1 O4'-C1'-N19 113.793 5.593 . 0.662 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . 0.533 HO2' ' H6 ' ' A' ' 10' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.567 4.404 0 O4'-C1'-N19 111.725 3.525 . 0.542 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ' U' . . . . . 0.533 ' H6 ' HO2' ' A' ' 9' ' ' ' G' . . . . . . . . 0 C2'--O2' 1.432 1.456 2 C5'-C4'-C3' 122.743 4.829 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.416 ' C5 ' ' C4 ' ' A' ' 12' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.553 3.291 0 C5'-C4'-O4' 112.889 2.635 . 0.728 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ' C' . . . . . 0.416 ' C4 ' ' C5 ' ' A' ' 11' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.45 3.029 1 O4'-C1'-N19 115.292 7.092 . 0.471 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.33 0 C5'-C4'-O4' 113.577 3.127 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.613 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.547 2.043 2 N19-C1'-C2' 122.208 5.505 . 0.079 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . 0.613 ' C8 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 1 C2'--C1' 1.585 5.716 4 O4'-C1'-N19 98.575 -9.625 . 0.0 OUTLIER '7D dist 7r' 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . 0.534 ' C8 ' " H1'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.724 1 P-O3'-C3' 130.824 9.27 . 0.046 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . 0.476 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.565 4.195 0 N19-C1'-C2' 118.417 3.136 OUTLIER-DELTA 0.102 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ' U' . . . . . 0.476 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.757 1 P-O3'-C3' 126.204 5.42 . 0.035 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ' A' . . . . . 0.525 ' C5 ' ' C5 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.547 2.839 2 N19-C1'-C2' 120.399 4.374 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . 0.525 ' C5 ' ' C5 ' ' A' ' 19' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.543 2.558 2 P-O3'-C3' 131.356 9.713 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ' G' . . . . . 0.425 ' N9 ' ' HB3' ' B' ' 113' ' ' ARG . . . . . . . . 0 C5'--C4' 1.545 2.684 3 O5'-C5'-C4' 120.968 7.691 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.551 2.285 0 O4'-C4'-C3' 100.682 -3.442 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.299 0 O4'-C1'-N19 111.276 3.076 . 0.579 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.735 0 O4'-C1'-N19 111.308 3.108 . 0.607 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.195 2 O4'-C1'-N19 114.816 6.616 . 0.148 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ' U' . . . . . 0.426 ' H3 ' HH22 ' B' ' 109' ' ' ARG . . . . . . . . 0 C5'--C4' 1.549 2.992 1 O4'-C1'-N19 114.253 6.053 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.145 1 P-O3'-C3' 126.183 5.403 . 0.01 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.789 0 O4'-C1'-N19 111.643 3.443 . 0.448 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ' G' . . . . . 0.4 ' C6 ' ' C4 ' ' A' ' 30' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.072 0 O5'-C5'-C4' 113.673 2.481 . 0.767 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.4 ' C4 ' ' C6 ' ' A' ' 29' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.547 2.825 0 O4'-C1'-N19 112.104 3.904 . 0.742 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.994 0 O4'-C1'-N19 112.053 3.853 . 0.511 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.863 0 P-O3'-C3' 123.474 3.145 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.885 1 P-O3'-C3' 125.194 4.579 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 61.4 mtt . . . . . 0 N--CA 1.498 1.952 0 CA-C-O 118.217 -0.896 . . . . 0.0 113.335 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -59.16 -24.26 73.05 Favored 'Trans proline' 0 C--N 1.376 1.987 0 N-CA-C 116.282 1.609 . . . . 0.0 116.282 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -86.7 144.21 27.21 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 125.779 1.631 . . . . 0.0 109.281 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 14.9 t -91.54 -52.26 4.86 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 127.42 2.288 . . . . 0.0 109.541 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -97.19 150.88 20.4 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 127.74 2.416 . . . . 0.0 112.906 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.441 ' HG3' " H3'" ' A' ' 19' ' ' ' A' . 21.4 mmt180 -110.23 -72.08 0.74 Allowed 'General case' 0 C--N 1.372 1.569 0 CA-C-O 116.088 -1.91 . . . . 0.0 113.108 -179.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.419 HH11 " H4'" ' A' ' 21' ' ' ' G' 0.536 0.0 OUTLIER -61.22 116.76 21.05 Favored Pre-proline 0 C--N 1.392 2.451 0 CA-C-N 121.004 1.729 . . . . 0.0 108.901 -178.771 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -75.3 179.33 6.26 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.461 2.108 . . . . 0.0 117.445 -170.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.454 ' CZ ' ' C8 ' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -63.13 106.29 0.83 Allowed 'General case' 0 CA--C 1.48 -1.721 1 C-N-CA 133.458 4.703 . . . . 0.0 103.712 179.096 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -18.32 -43.98 0.0 OUTLIER 'General case' 0 N--CA 1.415 -2.224 1 C-N-CA 132.598 4.359 . . . . 0.0 120.469 -175.29 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 67.5 m -44.83 -25.63 0.32 Allowed 'General case' 0 C--N 1.36 1.042 0 C-N-CA 129.73 3.212 . . . . 0.0 116.117 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -84.38 -54.23 4.92 Favored 'General case' 0 N--CA 1.429 -1.523 0 C-N-CA 130.908 3.683 . . . . 0.0 110.246 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.425 ' HB3' ' N9 ' ' A' ' 21' ' ' ' G' 0.275 6.3 ptt180 -72.42 119.58 16.82 Favored 'General case' 0 N--CA 1.422 -1.833 0 CA-C-O 124.979 2.323 . . . . 0.0 109.729 -178.73 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -106.31 121.05 43.43 Favored 'General case' 0 N--CA 1.415 -2.193 1 C-N-CA 132.643 4.377 . . . . 0.0 105.251 -178.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 28.3 mtp-105 -70.92 -63.44 1.54 Allowed Pre-proline 0 C--N 1.355 0.82 0 C-N-CA 127.816 2.447 . . . . 0.0 112.871 -177.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo . . . . . 0 C--O 1.263 1.741 0 CA-C-N 122.91 2.075 . . . . 0.0 111.295 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.028 0 N19-C1'-C2' 116.143 1.714 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.72 1 O4'-C1'-N19 112.429 4.229 . 0.453 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . 0.404 ' C5 ' ' C4 ' ' A' ' 4' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.548 2.897 1 N19-C1'-C2' 121.407 5.004 . 0.523 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.439 ' C5 ' ' NH1' ' B' ' 109' ' ' ARG . . . . . . . . 0 C5'--C4' 1.543 2.539 1 O4'-C1'-N19 114.38 6.18 . 0.758 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . 0.436 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 P--O3' 1.574 -2.79 2 P-O3'-C3' 128.337 7.198 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.939 0 O4'-C1'-N19 112.159 3.959 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . 0.434 " H2'" ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.54 2.328 3 P-O3'-C3' 126.633 5.778 . 0.345 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . 0.479 ' C8 ' ' C5 ' ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.543 2.519 2 N19-C1'-C2' 122.278 5.549 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . 0.479 ' C5 ' ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.556 3.507 0 C1'-C2'-O2' 119.573 2.991 . 0.249 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ' U' . . . . . 0.501 " H1'" ' C5 ' ' A' ' 22' ' ' ' A' . . . . . . . . 0 C2'--O2' 1.429 1.253 3 C5'-C4'-C3' 123.045 5.03 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.434 ' C5 ' ' C4 ' ' A' ' 12' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.559 3.749 0 C2'-C3'-O3' 121.515 3.755 OUTLIER-EPSILON 0.455 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ' C' . . . . . 0.434 ' C4 ' ' C5 ' ' A' ' 11' ' ' ' A' . . . . . . . . 0 P--O3' 1.571 -3.04 2 P-O3'-C3' 137.663 14.969 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.302 0 C5'-C4'-O4' 113.341 2.958 . 0.941 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.621 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.552 2.44 1 C5'-C4'-C3' 121.604 4.069 OUTLIER-EPSILON 0.114 1g . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . 0.621 ' C8 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 1 C2'--C1' 1.582 5.373 3 P-O3'-C3' 134.458 12.299 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . 0.461 ' C8 ' " H1'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.658 1 P-O3'-C3' 128.979 7.732 . 0.125 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . 0.407 ' C8 ' H5'' ' A' ' 17' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.565 4.231 0 O4'-C1'-N19 104.84 -3.36 OUTLIER-DELTA 0.024 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.506 1 P-O3'-C3' 127.623 6.603 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.662 1 N19-C1'-C2' 123.264 6.165 . 0.311 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.123 1 O4'-C1'-N19 115.033 6.833 . 0.225 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ' G' . . . . . 0.558 ' C4 ' ' HA ' ' B' ' 113' ' ' ARG . . . . . . . . 0 C5'--C4' 1.554 3.375 2 O5'-C5'-C4' 119.438 6.599 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ' A' . . . . . 0.501 ' C5 ' " H1'" ' A' ' 10' ' ' ' U' . . . . . . . . 0 C2'--C1' 1.555 2.687 0 O4'-C4'-C3' 100.227 -3.767 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.187 1 O4'-C1'-N19 112.424 4.224 . 0.338 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.233 0 O4'-C1'-N19 111.217 3.017 . 0.567 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.564 4.192 1 O4'-C1'-N19 114.753 6.553 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.068 2 O4'-C1'-N19 114.382 6.182 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.189 1 P-O3'-C3' 127.292 6.327 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.553 1 O4'-C1'-N19 113.287 5.087 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.077 0 O4'-C1'-N19 111.502 3.302 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.98 1 O4'-C1'-N19 112.205 4.005 . 0.613 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.177 0 O4'-C1'-N19 111.652 3.452 . 0.517 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.771 0 P-O3'-C3' 123.495 3.162 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.885 0 P-O3'-C3' 123.913 3.511 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.496 1.858 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -63.44 157.49 50.39 Favored 'Trans proline' 0 C--N 1.374 1.908 0 N-CA-C 116.317 1.622 . . . . 0.0 116.317 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -90.0 163.46 14.92 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.367 2.267 . . . . 0.0 110.786 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 12.0 p -69.35 153.98 42.75 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 127.088 2.155 . . . . 0.0 111.009 178.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 15.0 tpt85 -67.94 151.39 47.19 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.955 2.102 . . . . 0.0 113.571 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . 0.258 21.8 mmm180 -99.31 -88.62 0.33 Allowed 'General case' 0 C--N 1.37 1.481 0 CA-C-O 116.106 -1.902 . . . . 0.0 111.032 -177.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.407 ' HA ' ' HD3' ' B' ' 108' ' ' PRO 0.605 0.0 OUTLIER -35.26 122.71 0.61 Allowed Pre-proline 0 C--N 1.392 2.455 0 N-CA-C 116.686 2.106 . . . . 0.0 116.686 -177.197 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 107' ' ' ARG . 10.3 Cg_endo -71.02 174.34 10.74 Favored 'Trans proline' 0 C--N 1.364 1.379 0 O-C-N 124.709 1.899 . . . . 0.0 114.749 -174.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.439 ' NH1' ' C5 ' ' A' ' 4' ' ' ' C' . 0.0 OUTLIER -64.07 106.26 1.02 Allowed 'General case' 0 CA--C 1.464 -2.342 1 C-N-CA 132.936 4.494 . . . . 0.0 106.016 -176.378 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ARG . . . . . 0.502 ' C ' ' HE ' ' B' ' 110' ' ' ARG . 0.7 OUTLIER -9.21 -60.54 0.0 OUTLIER 'General case' 0 N--CA 1.406 -2.669 1 C-N-CA 133.344 4.658 . . . . 0.0 115.879 -178.977 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 69.8 m -40.69 -35.9 0.54 Allowed 'General case' 0 C--N 1.361 1.098 0 N-CA-C 117.8 2.518 . . . . 0.0 117.8 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -32.03 68.32 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 129.081 2.952 . . . . 0.0 115.024 -178.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.558 ' HA ' ' C4 ' ' A' ' 21' ' ' ' G' 0.26 11.3 mtm180 -70.7 -127.0 0.0 OUTLIER 'General case' 0 N--CA 1.425 -1.706 0 C-N-CA 127.792 2.437 . . . . 0.0 113.571 -170.128 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt -62.07 99.02 0.11 Allowed 'General case' 0 N--CA 1.426 -1.67 1 C-N-CA 135.172 5.389 . . . . 0.0 110.149 -179.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . 0.415 HH21 ' H22' ' A' ' 21' ' ' ' G' . 36.2 mtm180 -93.31 121.52 65.07 Favored Pre-proline 0 C--N 1.361 1.083 0 C-N-CA 126.419 1.887 . . . . 0.0 108.926 -178.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo . . . . . 0 C--O 1.263 1.766 0 C-N-CA 120.73 0.954 . . . . 0.0 111.518 179.826 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . 0.431 " H2'" ' C8 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.538 2.176 0 C5'-C4'-O4' 111.051 1.322 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.431 ' C8 ' " H2'" ' A' ' 1' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.545 2.698 0 O4'-C1'-N19 112.153 3.953 . 0.667 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . 0.403 " H2'" ' C6 ' ' A' ' 4' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.549 3.016 1 N19-C1'-C2' 120.231 4.269 . 0.794 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.403 ' C6 ' " H2'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.552 3.252 1 O4'-C1'-N19 114.303 6.103 . 0.718 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . 0.448 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 C5'--C4' 1.55 3.057 2 P-O3'-C3' 128.837 7.615 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.022 1 O4'-C1'-N19 112.278 4.078 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . 0.524 " H2'" ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.55 3.09 3 O4'-C1'-N19 114.913 6.713 . 0.322 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . 0.524 ' C8 ' " H2'" ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.546 2.735 2 N19-C1'-C2' 122.913 5.946 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . 0.506 ' C5 ' ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.557 3.633 0 C1'-C2'-O2' 119.308 2.903 . 0.338 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ' U' . . . . . 0.488 ' H6 ' HO2' ' A' ' 9' ' ' ' G' . . . . . . . . 0 P--O3' 1.592 -1.224 3 C5'-C4'-C3' 123.134 5.089 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.431 ' C5 ' ' C4 ' ' A' ' 12' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.558 3.682 0 O4'-C1'-N19 111.391 3.191 . 0.387 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ' C' . . . . . 0.431 ' C4 ' ' C5 ' ' A' ' 11' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.455 3.423 2 O4'-C1'-N19 115.004 6.804 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . 0.486 " H2'" " O2'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.551 3.129 0 P-O3'-C3' 124.462 3.968 . 0.828 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.486 " O2'" " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.566 4.335 2 C4'-C3'-C2' 97.384 -5.316 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . 0.499 " H1'" ' C8 ' ' A' ' 16' ' ' ' A' . . . . . . . . 1 C2'--C1' 1.58 5.182 4 O4'-C1'-N19 98.134 -10.066 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . 0.499 ' C8 ' " H1'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.544 2.59 1 P-O3'-C3' 128.617 7.431 . 0.056 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . 0.455 ' C8 ' ' C8 ' ' A' ' 16' ' ' ' A' . . . . . . . . 1 C5'--C4' 1.568 4.427 1 C5'-C4'-C3' 109.463 -4.024 OUTLIER-DELTA 0.01 1c . 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.368 2 P-O3'-C3' 127.281 6.317 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.478 1 N19-C1'-C2' 123.569 6.355 . 0.175 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.131 1 O4'-C1'-N19 115.258 7.058 . 0.424 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ' G' . . . . . 0.479 " H4'" HH11 ' B' ' 107' ' ' ARG . . . . . . . . 0 P--O5' 1.621 2.793 3 O5'-C5'-C4' 122.395 8.711 . 0.031 7p . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.565 -3.513 3 N19-C1'-C2' 120.402 4.376 . 0.016 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.894 2 O4'-C1'-N19 112.603 4.403 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.558 3.714 0 O5'-C5'-C4' 114.47 3.05 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.393 1 O4'-C1'-N19 113.308 5.108 . 0.151 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.804 1 O4'-C1'-N19 113.93 5.73 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.259 1 P-O3'-C3' 136.86 14.3 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.56 3.845 0 N19-C1'-C2' 119.799 3.999 . 0.572 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.558 0 N19-C1'-C2' 117.576 2.61 . 0.638 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.905 0 O4'-C1'-N19 111.408 3.208 . 0.414 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.119 0 O4'-C1'-N19 111.536 3.336 . 0.421 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.558 3.026 0 P-O3'-C3' 123.622 3.269 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 2.531 0 P-O3'-C3' 124.463 3.969 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 90.9 mtp . . . . . 0 N--CA 1.495 1.825 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -64.51 161.52 34.74 Favored 'Trans proline' 0 C--N 1.375 1.927 0 C-N-CA 121.078 1.185 . . . . 0.0 114.137 177.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -64.16 145.33 56.15 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 125.977 1.711 . . . . 0.0 111.107 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 65.3 p -52.27 -49.17 64.63 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 129.387 3.075 . . . . 0.0 114.061 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . 0.463 HH11 ' HB3' ' B' ' 105' ' ' ARG . 0.3 OUTLIER -51.8 140.09 20.16 Favored 'General case' 0 N--CA 1.44 -0.932 1 C-N-CA 133.43 4.692 . . . . 0.0 115.752 -177.001 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -142.34 -51.99 0.4 Allowed 'General case' 0 C--N 1.372 1.565 0 CA-C-O 115.718 -2.087 . . . . 0.0 113.896 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.479 HH11 " H4'" ' A' ' 21' ' ' ' G' 0.609 0.3 OUTLIER -53.28 123.74 36.46 Favored Pre-proline 0 C--N 1.395 2.582 0 CA-C-N 121.99 2.177 . . . . 0.0 113.234 -176.923 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -74.34 176.68 9.32 Favored 'Trans proline' 0 C--N 1.358 1.053 0 O-C-N 124.325 1.697 . . . . 0.0 116.142 -174.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.448 ' CZ ' ' C8 ' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -64.13 103.28 0.59 Allowed 'General case' 0 CA--C 1.465 -2.291 1 C-N-CA 135.625 5.57 . . . . 0.0 105.461 -176.586 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ARG . . . . . 0.572 HH21 ' HB2' ' B' ' 113' ' ' ARG . 3.8 tpm_? -15.69 -50.4 0.0 OUTLIER 'General case' 0 N--CA 1.421 -1.879 1 C-N-CA 131.859 4.064 . . . . 0.0 117.108 -177.532 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 49.8 m -42.54 -30.76 0.38 Allowed 'General case' 0 C--N 1.364 1.222 0 C-N-CA 130.041 3.336 . . . . 0.0 116.031 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.22 -52.01 8.25 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 131.112 3.765 . . . . 0.0 109.939 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.572 ' HB2' HH21 ' B' ' 110' ' ' ARG . 0.5 OUTLIER -70.08 110.07 4.92 Favored 'General case' 0 N--CA 1.425 -1.716 0 C-N-CA 129.172 2.989 . . . . 0.0 107.187 -177.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' LYS . . . . . 0.552 ' HG3' ' H ' ' B' ' 115' ' ' ARG 0.362 48.6 tptt -90.42 -128.84 0.08 Allowed 'General case' 0 N--CA 1.424 -1.746 0 C-N-CA 130.854 3.662 . . . . 0.0 104.699 -179.179 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . 0.552 ' H ' ' HG3' ' B' ' 114' ' ' LYS . 37.5 ptt85 -67.81 125.05 90.84 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 127.835 2.454 . . . . 0.0 108.59 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo . . . . . 0 C--O 1.263 1.727 0 CA-C-O 117.15 -1.271 . . . . 0.0 112.302 -178.511 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . 0.412 " H2'" ' C8 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.54 2.328 0 C5'-C4'-O4' 111.895 1.925 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.412 ' C8 ' " H2'" ' A' ' 1' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.545 2.672 0 O4'-C1'-N19 111.76 3.56 . 0.446 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . 0.49 " H2'" ' C6 ' ' A' ' 4' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.547 2.864 1 N19-C1'-C2' 121.494 5.059 OUTLIER-EPSILON 0.859 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.49 ' C6 ' " H2'" ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.457 3.559 2 P-O3'-C3' 135.071 12.81 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . 0.451 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 P--O3' 1.564 -3.587 2 P-O3'-C3' 137.243 14.619 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.763 1 O4'-C1'-N19 113.218 5.018 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . 0.459 " H2'" ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.555 3.476 3 O4'-C1'-N19 113.313 5.113 . 0.012 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . 0.459 ' C8 ' " H2'" ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.548 2.922 2 O4'-C1'-N19 113.338 5.138 . 0.167 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . 0.547 HO2' ' H6 ' ' A' ' 10' ' ' ' U' . . . . . . . . 2 C5'--C4' 1.571 4.695 0 P-O5'-C5' 127.253 3.971 . 0.527 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ' U' . . . . . 0.547 ' H6 ' HO2' ' A' ' 9' ' ' ' G' . . . . . . . . 0 P--O3' 1.592 -1.214 2 C5'-C4'-C3' 122.36 4.573 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.577 0 C2'-C3'-O3' 121.364 3.701 OUTLIER-EPSILON 0.605 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.573 -2.846 2 P-O3'-C3' 137.137 14.531 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.363 0 C5'-C4'-O4' 113.389 2.992 . 0.949 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.614 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.549 2.15 2 N19-C1'-C2' 123.012 6.008 . 0.053 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . 0.77 HO2' ' H8 ' ' A' ' 16' ' ' ' A' . . . . . . . . 1 C2'--C1' 1.579 5.064 4 P-O3'-C3' 129.59 8.242 . 0.0 OUTLIER '7D dist 7r' 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . 0.77 ' H8 ' HO2' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.552 3.236 1 P-O3'-C3' 128.318 7.182 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . 0.57 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.563 4.047 0 C1'-O4'-C4' 112.246 2.94 . 0.149 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ' U' . . . . . 0.57 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 1 O4'--C1' 1.463 4.046 1 P-O3'-C3' 126.812 5.926 . 0.068 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ' A' . . . . . 0.52 ' C5 ' ' C5 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.543 2.539 1 N19-C1'-C2' 120.257 4.285 OUTLIER-EPSILON 0.544 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . 0.52 ' C5 ' ' C5 ' ' A' ' 19' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.451 3.059 2 P-O3'-C3' 134.431 12.276 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ' G' . . . . . 0.58 ' H8 ' ' HD2' ' B' ' 108' ' ' PRO . . . . . . . . 0 C2'--C1' 1.493 -3.507 3 O5'-C5'-C4' 121.323 7.945 . 0.024 7p . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.548 2.12 1 C1'-O4'-C4' 105.778 -4.247 . 0.01 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.923 2 O4'-C1'-N19 112.753 4.553 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.113 0 C5'-C4'-C3' 111.047 -2.968 . 0.715 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.911 1 O4'-C1'-N19 113.279 5.079 . 0.182 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.934 1 O4'-C1'-N19 113.718 5.518 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ' A' . . . . . 0.42 " H3'" ' C6 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.545 2.696 1 N19-C1'-C2' 120.469 4.418 . 0.132 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . 0.42 ' C6 ' " H3'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.56 3.875 0 O4'-C1'-N19 111.44 3.24 . 0.347 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.878 0 O4'-C1'-N19 111.46 3.26 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.918 0 O4'-C1'-N19 111.94 3.74 . 0.604 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.202 0 O4'-C1'-N19 111.658 3.458 . 0.48 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.698 1 P-O3'-C3' 125.524 4.853 . 0.331 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.974 1 P-O3'-C3' 127.066 6.138 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 26.3 ptm . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 117.817 -1.087 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -73.98 134.96 20.42 Favored 'Trans proline' 0 C--N 1.371 1.732 0 CA-C-N 120.018 1.042 . . . . 0.0 111.074 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -97.04 146.61 24.83 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 125.951 1.701 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 86.3 m -81.81 -62.35 1.66 Allowed 'General case' 0 C--N 1.365 1.267 0 C-N-CA 127.103 2.161 . . . . 0.0 105.575 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -102.07 122.57 44.37 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 130.798 3.639 . . . . 0.0 105.326 176.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . 0.463 12.9 mmm180 -70.19 -61.32 1.82 Allowed 'General case' 0 C--N 1.369 1.449 0 CA-C-O 114.473 -2.68 . . . . 0.0 116.079 -176.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.564 HH12 HH22 ' B' ' 115' ' ' ARG 0.711 0.3 OUTLIER -62.58 117.41 31.1 Favored Pre-proline 0 C--N 1.399 2.746 0 CA-C-N 123.512 2.869 . . . . 0.0 110.761 178.716 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . 0.58 ' HD2' ' H8 ' ' A' ' 21' ' ' ' G' . 6.6 Cg_exo -67.67 173.75 8.53 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.265 2.643 . . . . 0.0 115.276 -176.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.451 ' CZ ' ' C8 ' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -63.68 128.92 37.97 Favored 'General case' 0 CA--C 1.473 -1.987 1 C-N-CA 133.147 4.579 . . . . 0.0 107.711 -176.632 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -27.29 -50.41 0.05 Allowed 'General case' 0 N--CA 1.424 -1.747 0 C-N-CA 129.694 3.198 . . . . 0.0 118.415 -176.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 51.1 m -48.82 -26.44 2.4 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 130.253 3.421 . . . . 0.0 117.912 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . 0.279 3.3 pm0 -87.94 -36.71 16.95 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 126.413 1.885 . . . . 0.0 113.661 -177.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -66.66 90.82 0.17 Allowed 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 130.871 3.668 . . . . 0.0 108.281 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -95.04 117.11 29.61 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 128.922 2.889 . . . . 0.0 108.422 -176.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . 0.564 HH22 HH12 ' B' ' 107' ' ' ARG . 79.6 mmt-85 -100.4 -54.37 0.16 Allowed Pre-proline 0 C--N 1.366 1.312 0 CA-C-O 115.587 -2.149 . . . . 0.0 111.817 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo . . . . . 0 C--O 1.263 1.77 0 C-N-CA 123.063 2.508 . . . . 0.0 113.673 178.405 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.773 0 O5'-C5'-C4' 113.787 2.562 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.724 1 O4'-C1'-N19 112.64 4.44 . 0.628 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.903 1 N19-C1'-C2' 122.187 5.492 . 0.633 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.425 ' C5 ' ' NH1' ' B' ' 109' ' ' ARG . . . . . . . . 0 C5'--C4' 1.539 2.249 1 O4'-C1'-N19 114.583 6.383 . 0.658 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . 0.429 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 C5'--C4' 1.544 2.641 2 P-O3'-C3' 128.763 7.553 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.835 1 O4'-C1'-N19 112.828 4.628 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . 0.462 " H2'" ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.555 3.429 3 C3'-C2'-C1' 106.409 5.454 . 0.089 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . 0.499 ' C8 ' ' C5 ' ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.544 2.635 2 N19-C1'-C2' 122.405 5.628 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . 0.499 ' C5 ' ' C8 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.565 3.742 0 C5'-C4'-C3' 110.186 -3.543 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ' U' . . . . . 0.421 ' H6 ' HO2' ' A' ' 9' ' ' ' G' . . . . . . . . 0 P--O5' 1.606 1.294 4 C5'-C4'-C3' 123.662 5.441 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.485 ' C5 ' ' C4 ' ' A' ' 12' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.559 3.78 0 C5'-C4'-O4' 113.989 3.42 . 0.459 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ' C' . . . . . 0.485 ' C4 ' ' C5 ' ' A' ' 11' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.45 3.006 1 O4'-C1'-N19 114.976 6.776 . 0.558 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.13 0 P-O3'-C3' 123.852 3.46 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.565 " H2'" ' C8 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.545 1.8 2 C5'-C4'-C3' 121.722 4.148 OUTLIER-EPSILON 0.093 1g . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . 0.613 " H1'" ' C8 ' ' A' ' 16' ' ' ' A' . . . . . . . . 1 C2'--C1' 1.58 5.156 5 P-O3'-C3' 136.022 13.602 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . 0.613 ' C8 ' " H1'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.559 3.763 1 P-O3'-C3' 135.701 13.334 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . 0.504 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.564 4.143 0 C1'-O4'-C4' 112.36 3.067 OUTLIER-DELTA 0.077 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ' U' . . . . . 0.504 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.735 1 P-O3'-C3' 126.587 5.739 . 0.026 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ' A' . . . . . 0.572 " H3'" ' HG3' ' B' ' 106' ' ' ARG . . . . . . . . 0 C5'--C4' 1.547 2.824 1 N19-C1'-C2' 124.222 6.764 OUTLIER-EPSILON 0.139 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.985 2 P-O3'-C3' 134.521 12.351 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ' G' . . . . . 0.577 ' C4 ' ' HA ' ' B' ' 113' ' ' ARG . . . . . . . . 0 C2'--C1' 1.492 -3.571 2 O5'-C5'-C4' 120.805 7.575 . 0.048 7p . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.55 2.249 1 P-O3'-C3' 125.415 4.763 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ' C' . . . . . 0.419 ' H41' ' HD3' ' B' ' 107' ' ' ARG . . . . . . . . 0 C5'--C4' 1.553 3.309 1 P-O3'-C3' 126.778 5.898 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.994 0 C5'-C4'-C3' 111.659 -2.56 . 0.81 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.091 3 O4'-C1'-N19 113.798 5.598 . 0.064 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ' U' . . . . . 0.469 ' H3 ' HH22 ' B' ' 109' ' ' ARG . . . . . . . . 0 C5'--C4' 1.547 2.882 1 O4'-C1'-N19 113.84 5.64 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.304 1 P-O3'-C3' 126.412 5.594 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.747 0 N19-C1'-C2' 118.383 3.114 . 0.454 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.691 0 O4'-C1'-N19 110.627 2.427 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.843 0 O4'-C1'-N19 111.711 3.511 . 0.667 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.083 0 O4'-C1'-N19 111.902 3.702 . 0.527 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.87 1 P-O3'-C3' 124.966 4.389 . 0.678 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.909 1 P-O3'-C3' 126.231 5.442 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 25.1 mmt . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.19 -0.909 . . . . 0.0 112.23 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -67.3 -37.0 19.1 Favored 'Trans proline' 0 C--N 1.372 1.763 0 CA-C-O 117.993 -0.919 . . . . 0.0 113.792 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.07 149.21 21.64 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 127.843 2.457 . . . . 0.0 111.26 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 46.5 m -90.84 -67.65 0.84 Allowed 'General case' 0 C--N 1.364 1.236 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 177.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -62.84 129.83 42.16 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 127.963 2.505 . . . . 0.0 112.323 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.572 ' HG3' " H3'" ' A' ' 19' ' ' ' A' . 18.7 mmt180 -83.69 -68.61 0.7 Allowed 'General case' 0 C--N 1.366 1.311 0 CA-C-O 115.831 -2.033 . . . . 0.0 113.993 -177.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.57 HH11 " H4'" ' A' ' 21' ' ' ' G' 0.668 0.0 OUTLIER -50.77 114.43 4.68 Favored Pre-proline 0 C--N 1.397 2.662 0 CA-C-N 120.93 1.695 . . . . 0.0 112.009 -176.02 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -70.46 178.54 4.89 Favored 'Trans proline' 0 C--N 1.351 0.707 0 O-C-N 125.322 2.222 . . . . 0.0 115.081 -174.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.469 HH22 ' H3 ' ' A' ' 26' ' ' ' U' . 0.0 OUTLIER -63.36 106.67 0.94 Allowed 'General case' 0 CA--C 1.467 -2.238 1 C-N-CA 134.774 5.23 . . . . 0.0 105.396 -176.722 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' ARG . . . . . 0.559 HH22 ' HB2' ' B' ' 114' ' ' LYS . 2.2 tpm_? -11.66 -61.28 0.0 OUTLIER 'General case' 0 N--CA 1.409 -2.505 1 C-N-CA 132.306 4.242 . . . . 0.0 116.062 -177.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 59.6 m -38.59 -37.23 0.3 Allowed 'General case' 0 C--N 1.365 1.267 0 C-N-CA 128.026 2.53 . . . . 0.0 117.723 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -26.25 57.7 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 129.719 3.208 . . . . 0.0 116.35 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.577 ' HA ' ' C4 ' ' A' ' 21' ' ' ' G' . 18.5 mtm180 -73.3 -107.44 0.01 OUTLIER 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 126.204 1.802 . . . . 0.0 111.503 -169.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' LYS . . . . . 0.559 ' HB2' HH22 ' B' ' 110' ' ' ARG . 29.3 mmtp -71.45 107.13 4.21 Favored 'General case' 0 N--CA 1.423 -1.783 0 C-N-CA 129.025 2.93 . . . . 0.0 110.322 -177.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -97.24 140.51 22.09 Favored Pre-proline 0 C--N 1.364 1.208 0 C-N-CA 126.937 2.095 . . . . 0.0 110.559 -178.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo . . . . . 0 C--O 1.263 1.732 0 C-N-CA 120.725 0.95 . . . . 0.0 111.516 179.712 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.81 0 O5'-C5'-C4' 114.178 2.842 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.705 0 O4'-C1'-N19 111.614 3.414 . 0.457 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.043 1 N19-C1'-C2' 121.351 4.969 . 0.855 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.805 1 O4'-C1'-N19 114.212 6.012 . 0.733 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . 0.446 ' C8 ' ' CZ ' ' B' ' 109' ' ' ARG . . . . . . . . 0 P--O3' 1.572 -2.939 2 P-O3'-C3' 129.45 8.125 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.669 0 O4'-C1'-N19 111.797 3.597 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.282 3 P-O3'-C3' 125.647 4.956 . 0.249 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.085 2 O4'-C1'-N19 113.386 5.186 . 0.326 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . 0.417 HO2' ' H6 ' ' A' ' 10' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.569 4.556 1 O4'-C1'-N19 112.341 4.141 . 0.569 1b . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ' U' . . . . . 0.417 ' H6 ' HO2' ' A' ' 9' ' ' ' G' . . . . . . . . 0 C2'--O2' 1.433 1.507 2 C5'-C4'-C3' 122.999 4.999 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.447 ' C5 ' ' C4 ' ' A' ' 12' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.556 3.539 0 C5'-C4'-O4' 113.46 3.043 . 0.604 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ' C' . . . . . 0.447 ' C4 ' ' C5 ' ' A' ' 11' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.454 3.298 1 O4'-C1'-N19 115.791 7.591 OUTLIER-EPSILON 0.227 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . 0.535 " H2'" " O2'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.485 2.627 1 P-O3'-C3' 133.67 11.641 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.535 " O2'" " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.57 4.641 2 C4'-C3'-C2' 97.577 -5.123 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . 0.579 " H1'" ' C8 ' ' A' ' 16' ' ' ' A' . . . . . . . . 1 C2'--C1' 1.583 5.523 5 O4'-C1'-N19 98.58 -9.62 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . 0.579 ' C8 ' " H1'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.544 2.606 1 P-O3'-C3' 132.338 10.532 . 0.015 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . 0.42 " H2'" ' C6 ' ' A' ' 18' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.565 4.261 0 C5'-C4'-C3' 110.355 -3.43 OUTLIER-DELTA 0.071 1c . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ' U' . . . . . 0.42 ' C6 ' " H2'" ' A' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.557 3.594 2 P-O3'-C3' 126.221 5.434 . 0.02 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ' A' . . . . . 0.466 ' C5 ' ' C5 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.544 2.638 1 N19-C1'-C2' 120.059 4.162 . 0.419 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . 0.635 ' C6 ' ' HG3' ' B' ' 106' ' ' ARG . . . . . . . . 0 C2'--C1' 1.56 3.207 1 O4'-C1'-N19 113.017 4.817 . 0.274 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ' G' . . . . . 0.608 " H4'" HH11 ' B' ' 107' ' ' ARG . . . . . . . . 0 C5'--C4' 1.545 2.661 3 O5'-C5'-C4' 120.849 7.607 . 0.074 7p . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.569 -3.187 1 P-O3'-C3' 124.92 4.35 . 0.016 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.769 0 P-O3'-C3' 123.365 3.054 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.157 2 P-O3'-C3' 134.732 12.526 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.561 3.937 3 P-O3'-C3' 129.213 7.927 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.252 3 P-O3'-C3' 127.45 6.458 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ' A' . . . . . 0.41 " H3'" ' C6 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.535 1.94 2 P-O3'-C3' 127.298 6.331 . 0.062 5n . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . 0.41 ' C6 ' " H3'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.562 3.989 0 N19-C1'-C2' 118.129 2.955 . 0.477 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.78 0 N19-C1'-C2' 118.178 2.987 . 0.635 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.946 0 O4'-C1'-N19 111.571 3.371 . 0.437 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.156 0 O4'-C1'-N19 111.917 3.717 . 0.423 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.844 1 O4'-C1'-N19 112.266 4.066 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.832 1 P-O3'-C3' 127.309 6.341 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 54.3 tpp . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 117.502 -1.237 . . . . 0.0 111.513 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -64.98 158.46 51.46 Favored 'Trans proline' 0 C--N 1.373 1.854 0 CA-C-N 120.535 1.227 . . . . 0.0 114.239 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -63.56 148.23 49.35 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.8 2.04 . . . . 0.0 112.399 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 8.5 p -58.38 130.11 45.2 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 127.472 2.309 . . . . 0.0 115.105 -176.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . 0.405 ' HE ' ' NH1' ' B' ' 106' ' ' ARG . 6.2 tpt180 -108.37 -123.66 0.25 Allowed 'General case' 0 C--N 1.359 1.011 0 C-N-CA 128.469 2.707 . . . . 0.0 108.351 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.635 ' HG3' ' C6 ' ' A' ' 20' ' ' ' C' . 0.0 OUTLIER 178.31 -82.09 0.0 OUTLIER 'General case' 0 C--N 1.383 2.065 0 C-N-CA 126.126 1.77 . . . . 0.0 112.539 -176.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.608 HH11 " H4'" ' A' ' 21' ' ' ' G' 0.433 0.0 OUTLIER -57.37 115.21 10.0 Favored Pre-proline 0 C--N 1.386 2.192 0 C-N-CA 131.493 3.917 . . . . 0.0 107.798 -177.222 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . 0.477 ' HD2' ' C8 ' ' A' ' 21' ' ' ' G' . 7.7 Cg_exo -68.42 -179.09 2.12 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 O-C-N 124.722 1.906 . . . . 0.0 114.468 -175.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.446 ' CZ ' ' C8 ' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -67.89 102.87 1.33 Allowed 'General case' 0 CA--C 1.477 -1.858 1 C-N-CA 135.478 5.511 . . . . 0.0 102.872 -177.443 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' ARG . . . . . 0.423 HH21 ' HB2' ' B' ' 113' ' ' ARG . 4.6 tpm_? -10.53 -48.2 0.0 OUTLIER 'General case' 0 N--CA 1.419 -2.005 1 C-N-CA 133.333 4.653 . . . . 0.0 118.821 -176.85 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 49.5 m -41.35 -28.38 0.11 Allowed 'General case' 0 C--N 1.366 1.314 0 C-N-CA 130.473 3.509 . . . . 0.0 115.948 176.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.0 -60.58 2.2 Favored 'General case' 0 N--CA 1.43 -1.445 1 C-N-CA 133.7 4.8 . . . . 0.0 110.832 -179.63 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.423 ' HB2' HH21 ' B' ' 110' ' ' ARG . 7.8 mtm180 -61.46 101.54 0.18 Allowed 'General case' 0 N--CA 1.43 -1.47 1 C-N-CA 132.335 4.254 . . . . 0.0 109.785 -172.447 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -102.1 110.71 22.75 Favored 'General case' 0 N--CA 1.422 -1.868 0 CA-C-N 111.115 -2.766 . . . . 0.0 106.644 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -92.28 150.19 39.77 Favored Pre-proline 0 C--N 1.364 1.238 0 C-N-CA 127.284 2.234 . . . . 0.0 110.748 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo . . . . . 0 C--N 1.373 1.823 0 C-N-CA 120.767 0.978 . . . . 0.0 111.283 179.041 . . . . . . . . 0 0 . 1 stop_ save_