data_1ull_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 1ull _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . 0.335 1.9 mp0 . . . . . 0 CA--C 1.539 0.535 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.56 -56.98 3.8 Favored 'General case' 0 C--N 1.385 2.152 0 C-N-CA 126.088 1.755 . . . . 0.0 106.914 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 -54.33 -43.61 71.35 Favored 'General case' 0 C--N 1.367 1.342 0 CA-C-O 116.712 -1.613 . . . . 0.0 107.887 170.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.04 18.12 0.04 OUTLIER 'General case' 0 C--N 1.39 2.334 0 N-CA-C 117.631 2.456 . . . . 0.0 117.631 172.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . 0.259 45.0 m-80 -143.92 -37.04 0.33 Allowed 'General case' 0 CA--C 1.566 1.574 0 C-N-CA 128.913 2.885 . . . . 0.0 112.102 176.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -80.36 -69.45 0.59 Allowed 'General case' 0 C--N 1.359 0.989 0 C-N-CA 128.629 2.772 . . . . 0.0 107.639 174.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 mmm-85 -56.01 -43.88 78.13 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 120.012 1.278 . . . . 0.0 109.825 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.448 ' HE ' ' CG ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -52.35 -46.48 66.12 Favored 'General case' 0 C--N 1.364 1.232 0 CA-C-O 115.825 -2.036 . . . . 0.0 113.377 175.865 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -70.07 -37.73 75.56 Favored 'General case' 0 C--N 1.402 2.861 0 C-N-CA 126.001 1.72 . . . . 0.0 114.335 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -77.09 -31.32 55.87 Favored 'General case' 0 C--N 1.384 2.095 0 O-C-N 121.251 -0.906 . . . . 0.0 112.005 174.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 ttp-105 -82.88 -55.62 4.29 Favored 'General case' 0 C--N 1.376 1.744 0 C-N-CA 126.192 1.797 . . . . 0.0 113.533 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.448 ' CG ' ' HE ' ' B' ' 10' ' ' ARG 0.251 3.5 mm-40 -40.41 -39.41 0.99 Allowed 'General case' 0 C--N 1.392 2.45 0 CA-C-N 122.46 2.391 . . . . 0.0 112.643 179.345 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 ttm-85 -40.07 -31.31 0.12 Allowed 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 127.9 2.48 . . . . 0.0 114.955 172.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.96 -36.81 22.97 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 129.363 3.065 . . . . 0.0 115.373 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 . . . . . 0 C--N 1.359 0.989 1 C-N-CA 131.731 4.013 . . . . 0.0 108.592 -178.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.579 HE21 ' ND2' ' B' ' 7' ' ' ASN . 56.0 tp60 . . . . . 0 N--CA 1.438 -1.048 0 CA-C-O 118.258 -0.877 . . . . 0.52 110.837 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.64 -52.2 65.33 Favored 'General case' 0 CA--C 1.601 2.918 0 CA-C-N 121.437 1.926 . . . . 0.52 107.008 177.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 85.9 mtm-85 -60.1 -36.85 78.34 Favored 'General case' 0 C--N 1.376 1.727 0 O-C-N 118.65 -2.531 . . . . 0.52 113.325 177.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -55.41 26.28 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 130.427 3.491 . . . . 0.52 104.876 175.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ASN . . . . . 0.579 ' ND2' HE21 ' B' ' 3' ' ' GLN . 3.4 m-20 -48.45 -32.23 7.46 Favored 'General case' 0 C--N 1.366 1.316 0 CA-C-O 115.157 -2.354 . . . . 0.52 114.048 172.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -73.3 0.07 Allowed 'General case' 0 C--N 1.39 2.357 0 CA-C-N 121.763 2.074 . . . . 0.52 109.712 173.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.474 ' C ' ' H ' ' B' ' 11' ' ' ARG 0.27 0.1 OUTLIER -63.54 -46.86 84.05 Favored 'General case' 0 C--N 1.379 1.871 0 CA-C-O 115.629 -2.129 . . . . 0.52 114.555 178.443 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . 0.319 0.0 OUTLIER -64.71 38.54 0.02 OUTLIER 'General case' 0 CA--C 1.585 2.317 0 C-N-CA 130.034 3.334 . . . . 0.52 110.981 176.629 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.474 ' H ' ' C ' ' B' ' 9' ' ' ARG . 60.9 mtt-85 -159.84 -74.91 0.07 Allowed 'General case' 0 C--N 1.361 1.1 1 C-N-CA 134.366 5.066 . . . . 0.52 106.282 179.254 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' TRP . . . . . . . . . . . . 0.293 57.4 m95 -68.6 -18.83 64.4 Favored 'General case' 0 C--N 1.373 1.612 0 N-CA-C 118.595 2.813 . . . . 0.52 118.595 -178.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -95.78 -15.59 22.46 Favored 'General case' 0 CA--C 1.569 1.675 0 C-N-CA 128.281 2.633 . . . . 0.52 111.792 173.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -66.79 -27.83 67.89 Favored 'General case' 0 C--N 1.367 1.345 0 C-N-CA 129.472 3.109 . . . . 0.52 112.698 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.98 -10.47 9.86 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 128.445 2.698 . . . . 0.52 111.851 173.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -111.48 -67.32 1.01 Allowed 'General case' 0 C--N 1.37 1.46 0 C-N-CA 131.011 3.724 . . . . 0.52 106.978 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 34.7 ttt-85 . . . . . 0 CA--C 1.565 1.546 0 C-N-CA 127.937 2.495 . . . . 0.52 109.704 176.747 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . 0.371 2.8 mm-40 . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.99 -53.16 4.91 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 127.704 2.402 . . . . 0.0 111.983 173.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 32.0 mtm105 -75.92 -40.34 54.41 Favored 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 129.776 3.231 . . . . 0.0 111.165 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -57.17 -37.62 72.37 Favored 'General case' 0 C--N 1.381 1.94 0 C-N-CA 128.096 2.558 . . . . 0.0 108.798 173.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . 0.277 35.0 m-20 -65.71 -51.74 56.91 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 130.697 3.599 . . . . 0.0 107.579 174.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -57.33 -55.48 34.29 Favored 'General case' 0 C--N 1.392 2.429 0 CA-C-N 122.44 2.382 . . . . 0.0 109.951 172.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.49 29.4 0.1 Allowed 'General case' 0 C--N 1.364 1.2 0 N-CA-C 117.93 2.567 . . . . 0.0 117.93 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.15 -77.46 0.59 Allowed 'General case' 0 C--N 1.355 0.845 0 C-N-CA 130.763 3.625 . . . . 0.0 101.616 174.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . 0.271 43.4 mtt-85 -48.98 -35.98 16.5 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 117.11 2.263 . . . . 0.0 117.11 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -100.94 15.09 29.75 Favored 'General case' 0 CA--C 1.58 2.118 0 C-N-CA 126.236 1.815 . . . . 0.0 112.029 174.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -123.88 -39.14 2.42 Favored 'General case' 0 C--N 1.373 1.62 0 C-N-CA 127.423 2.289 . . . . 0.0 112.698 -176.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.18 -12.35 2.22 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 128.251 2.62 . . . . 0.0 113.433 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . 0.255 94.5 mtt180 -87.4 -5.28 58.92 Favored 'General case' 0 CA--C 1.598 2.811 1 C-N-CA 132.657 4.383 . . . . 0.0 113.806 177.717 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -105.71 -61.42 1.5 Allowed 'General case' 0 C--N 1.373 1.629 1 C-N-CA 134.067 4.947 . . . . 0.0 108.585 177.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? . . . . . 0 C--N 1.385 2.132 0 C-N-CA 126.661 1.985 . . . . 0.0 109.036 179.869 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.44 -0.955 0 CA-C-O 116.426 -1.749 . . . . 0.37 113.204 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.28 -51.64 11.6 Favored 'General case' 0 C--N 1.386 2.18 0 CA-C-N 120.81 1.641 . . . . 0.37 109.318 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -49.0 -51.25 31.76 Favored 'General case' 0 C--N 1.381 1.967 0 C-N-CA 128.933 2.893 . . . . 0.37 105.331 171.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -0.57 0.59 Allowed 'General case' 0 C--N 1.386 2.164 0 N-CA-C 117.051 2.241 . . . . 0.37 117.051 176.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -122.93 -44.15 2.2 Favored 'General case' 0 CA--C 1.559 1.307 0 O-C-N 118.795 -2.44 . . . . 0.37 111.931 174.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -63.01 1.32 Allowed 'General case' 0 C--N 1.377 1.783 0 C-N-CA 125.61 1.564 . . . . 0.37 111.692 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -51.14 71.23 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 125.61 1.564 . . . . 0.37 108.855 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.403 ' HA ' ' HB3' ' B' ' 13' ' ' ARG . 1.1 tmm_? -46.25 -60.9 2.03 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 129.615 3.166 . . . . 0.37 114.666 176.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . 0.396 0.0 OUTLIER -54.75 -43.42 72.69 Favored 'General case' 0 C--N 1.379 1.887 0 CA-C-N 123.349 2.795 . . . . 0.37 113.265 -178.575 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' TRP . . . . . . . . . . . . 0.279 8.3 t-105 -68.42 -47.76 66.39 Favored 'General case' 0 C--N 1.379 1.855 0 CA-C-N 120.754 1.616 . . . . 0.37 110.73 171.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.403 ' HB3' ' HA ' ' B' ' 10' ' ' ARG . 8.9 ttp180 -52.34 -55.32 22.32 Favored 'General case' 0 C--N 1.389 2.305 1 C-N-CA 133.299 4.639 . . . . 0.37 115.782 178.171 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . 0.298 67.3 mm-40 -44.72 -38.48 4.44 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 126.76 2.024 . . . . 0.37 112.779 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 77.8 mtm-85 -56.98 -21.68 32.37 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 127.951 2.5 . . . . 0.37 114.464 173.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -89.01 -54.65 4.02 Favored 'General case' 0 C--N 1.372 1.546 0 C-N-CA 127.393 2.277 . . . . 0.37 108.272 173.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.378 1.814 1 C-N-CA 133.358 4.663 . . . . 0.37 104.503 177.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . 0.403 HE21 ' HA ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.445 -0.689 0 N-CA-C 115.07 1.507 . . . . 0.27 115.07 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.77 -75.76 0.19 Allowed 'General case' 0 C--N 1.359 1.004 0 N-CA-C 105.305 -2.109 . . . . 0.27 105.305 171.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -26.64 -51.12 0.05 OUTLIER 'General case' 0 C--N 1.382 1.989 1 C-N-CA 132.443 4.297 . . . . 0.27 114.32 174.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . 0.283 3.9 tpm_? -48.32 -38.65 19.58 Favored 'General case' 0 C--N 1.376 1.722 1 C-N-CA 134.896 5.278 . . . . 0.27 115.017 173.451 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -97.71 -42.42 7.63 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 131.119 3.768 . . . . 0.27 107.879 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -46.71 82.68 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 122.282 2.31 . . . . 0.27 114.908 178.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.77 -23.71 64.34 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 119.176 -2.203 . . . . 0.27 111.146 176.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -65.75 -65.39 0.68 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 127.639 2.375 . . . . 0.27 110.525 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.47 -31.45 64.02 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 124.329 1.052 . . . . 0.27 113.408 178.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -82.93 -36.02 25.57 Favored 'General case' 0 CA--C 1.554 1.111 0 O-C-N 119.398 -2.064 . . . . 0.27 110.492 175.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . 0.445 0.1 OUTLIER -62.38 -48.57 79.16 Favored 'General case' 0 C--N 1.387 2.203 0 O-C-N 118.814 -2.429 . . . . 0.27 110.546 177.156 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -34.88 -42.18 0.15 Allowed 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 127.156 2.182 . . . . 0.27 114.159 174.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -38.89 78.37 Favored 'General case' 0 C--N 1.372 1.557 0 C-N-CA 126.796 2.039 . . . . 0.27 114.039 176.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . 0.251 0.0 OUTLIER -89.2 -43.03 11.3 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 126.721 2.008 . . . . 0.27 109.757 172.833 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.373 1.591 0 C-N-CA 129.955 3.302 . . . . 0.27 105.263 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.604 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.64 -49.65 10.97 Favored 'General case' 0 C--N 1.365 1.252 0 C-N-CA 124.929 1.291 . . . . 0.0 108.08 174.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.86 -48.33 31.14 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 130.417 3.487 . . . . 0.0 111.2 175.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -52.74 -34.15 51.42 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 129.046 2.938 . . . . 0.0 112.384 173.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . 0.264 34.8 m-80 -92.49 -42.72 9.56 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 127.15 2.18 . . . . 0.0 111.771 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -53.55 -48.03 69.49 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 121.237 1.835 . . . . 0.0 109.279 173.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -51.74 68.66 Favored 'General case' 0 C--N 1.392 2.416 0 CA-C-N 121.659 2.027 . . . . 0.0 112.167 173.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -51.27 -37.9 49.79 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-O 116.963 -1.494 . . . . 0.0 110.455 177.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . 0.442 0.0 OUTLIER -70.45 -49.86 44.3 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 127.158 2.183 . . . . 0.0 113.448 176.788 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' TRP . . . . . . . . . . . . 0.331 57.3 m95 -58.25 -29.25 65.61 Favored 'General case' 0 CA--C 1.58 2.105 0 CA-C-N 122.287 2.312 . . . . 0.0 111.209 173.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -73.73 -60.29 2.32 Favored 'General case' 0 C--N 1.388 2.242 0 C-N-CA 126.83 2.052 . . . . 0.0 107.884 170.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -36.97 -47.24 0.69 Allowed 'General case' 0 C--N 1.394 2.543 0 C-N-CA 128.753 2.821 . . . . 0.0 111.11 176.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -44.06 -40.6 4.96 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 129.369 3.068 . . . . 0.0 113.405 174.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -76.98 -17.65 58.74 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 125.878 1.671 . . . . 0.0 114.193 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 26.9 mtm105 . . . . . 0 C--N 1.381 1.96 0 C-N-CA 126.75 2.02 . . . . 0.0 111.364 179.688 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 . . . . . 0 C--O 1.22 -0.488 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.54 -44.09 68.91 Favored 'General case' 0 CA--C 1.592 2.579 0 CA-C-O 125.105 2.383 . . . . 0.0 111.125 176.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 69.6 mtm-85 -70.46 -25.93 63.4 Favored 'General case' 0 C--N 1.389 2.307 0 C-N-CA 127.884 2.474 . . . . 0.0 109.773 175.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -73.27 -69.61 0.41 Allowed 'General case' 0 C--O 1.197 -1.685 0 C-N-CA 129.845 3.258 . . . . 0.0 103.137 172.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . 0.481 45.7 m-20 -37.22 -56.81 0.92 Allowed 'General case' 0 C--N 1.362 1.133 0 CA-C-N 124.855 3.48 . . . . 0.0 116.551 -178.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ttm105 -49.8 -54.5 18.85 Favored 'General case' 0 C--N 1.384 2.069 0 CA-C-N 119.429 1.013 . . . . 0.0 109.575 172.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -67.62 -49.8 61.23 Favored 'General case' 0 C--O 1.205 -1.283 0 C-N-CA 130.578 3.551 . . . . 0.0 115.514 176.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . 0.285 0.0 OUTLIER -64.23 45.88 0.02 OUTLIER 'General case' 0 CA--C 1.565 1.529 1 C-N-CA 133.861 4.865 . . . . 0.0 107.101 176.087 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.52 -77.66 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.566 1 C-N-CA 134.186 4.994 . . . . 0.0 101.982 -172.248 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' TRP . . . . . . . . . . . . 0.331 92.9 m95 -55.71 -26.04 43.17 Favored 'General case' 0 C--N 1.382 2.018 0 O-C-N 118.595 -2.566 . . . . 0.0 117.119 178.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 ttt85 -63.62 -61.73 2.13 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 128.066 2.546 . . . . 0.0 104.196 174.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -33.69 -49.2 0.3 Allowed 'General case' 0 N--CA 1.498 1.95 1 C-N-CA 131.905 4.082 . . . . 0.0 114.51 178.241 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -64.12 -11.2 27.92 Favored 'General case' 0 CA--C 1.566 1.594 0 C-N-CA 125.628 1.571 . . . . 0.0 114.351 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.44 -38.3 0.84 Allowed 'General case' 0 CA--C 1.57 1.745 0 C-N-CA 130.948 3.699 . . . . 0.0 114.193 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 38.3 ttt-85 . . . . . 0 C--N 1.363 1.194 1 C-N-CA 134.064 4.945 . . . . 0.0 110.384 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.469 3.283 1 C3'-C2'-C1' 105.885 4.873 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.531 " H2'" ' C6 ' ' A' ' 3' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.569 4.548 3 P-O5'-C5' 140.125 12.016 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.531 ' C6 ' " H2'" ' A' ' 2' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.57 4.595 1 P-O5'-C5' 135.89 9.368 . 0.292 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . 0.605 " H2'" ' C8 ' ' A' ' 5' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.496 -3.248 1 P-O5'-C5' 131.389 6.556 OUTLIER-EPSILON 0.582 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . 0.605 ' C8 ' " H2'" ' A' ' 4' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.579 5.291 5 P-O3'-C3' 140.294 17.162 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.558 3.041 4 P-O5'-C5' 145.141 15.15 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.472 3.476 2 C2'-C3'-O3' 122.665 4.166 OUTLIER-EPSILON 0.206 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ' C' . . . . . 0.598 " H2'" ' C6 ' ' A' ' 9' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.562 3.99 2 P-O3'-C3' 135.981 13.567 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ' U' . . . . . 0.598 ' C6 ' " H2'" ' A' ' 8' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.552 3.208 5 P-O5'-C5' 146.364 15.915 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ' C' . . . . . 0.435 ' C5 ' ' C4 ' ' A' ' 9' ' ' ' U' . . . . . . . . 1 P--O5' 1.634 4.054 2 P-O3'-C3' 138.846 15.955 . 0.362 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . 0.475 HO2' ' P ' ' A' ' 12' ' ' ' U' . . . . . . . . 0 O3'--C3' 1.475 3.691 4 P-O5'-C5' 145.163 15.164 OUTLIER-EPSILON 0.0 OUTLIER beta 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . 0.475 ' P ' HO2' ' A' ' 11' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.573 4.832 4 P-O3'-C3' 139.742 16.702 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.658 6.516 2 P-O5'-C5' 131.783 6.802 . 0.422 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.414 " H2'" ' C6 ' ' A' ' 15' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.486 -3.497 4 P-O5'-C5' 132.958 7.536 OUTLIER-EPSILON 0.273 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ' U' . . . . . 0.414 ' C6 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.49 3.12 2 P-O3'-C3' 138.212 15.426 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.467 3.163 0 O4'-C1'-N19 111.739 3.539 . 0.232 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.495 5.163 2 P-O3'-C3' 135.064 12.803 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ' G' . . . . . 0.444 ' N1 ' ' C5 ' ' A' ' 19' ' ' ' G' . . . . . . . . 3 P--O5' 1.662 6.884 3 P-O3'-C3' 138.248 15.457 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ' G' . . . . . 0.669 " H2'" ' C6 ' ' A' ' 20' ' ' ' U' . . . . . . . . 0 O3'--C3' 1.474 3.648 2 P-O5'-C5' 141.617 12.948 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . 0.669 ' C6 ' " H2'" ' A' ' 19' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.736 3 P-O3'-C3' 130.255 8.796 . 0.292 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ' A' . . . . . 0.575 " H2'" ' C6 ' ' A' ' 22' ' ' ' C' . . . . . . . . 2 P--O5' 1.652 5.919 3 P-O5'-C5' 138.069 10.731 . 0.663 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . 0.575 ' C6 ' " H2'" ' A' ' 21' ' ' ' A' . . . . . . . . 2 C5'--C4' 1.597 6.685 3 P-O5'-C5' 134.488 8.493 . 0.67 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ' U' . . . . . 0.592 ' C4 ' ' HD2' ' B' ' 6' ' ' ARG . . . . . . . . 0 C4'--C3' 1.554 2.753 2 P-O3'-C3' 137.365 14.721 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.554 2.605 6 P-O3'-C3' 140.418 17.265 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . 0.438 ' N7 ' ' C2 ' ' A' ' 23' ' ' ' U' . . . . . . . . 3 P--O5' 1.659 6.617 3 P-O5'-C5' 139.526 11.642 . 0.01 5j . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.57 4.595 2 P-O3'-C3' 133.743 11.703 . 0.497 1c . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ' G' . . . . . 0.424 " H3'" " H2'" ' A' ' 28' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.551 3.189 3 P-O3'-C3' 136.051 13.626 . 0.617 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ' A' . . . . . 0.439 ' C2 ' ' C5 ' ' A' ' 30' ' ' ' A' . . . . . . . . 1 P--O5' 1.636 4.254 0 P-O5'-C5' 127.018 3.823 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.643 5.047 3 P-O3'-C3' 140.561 17.384 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ' A' . . . . . 0.439 ' C5 ' ' C2 ' ' A' ' 28' ' ' ' A' . . . . . . . . 2 C5'--C4' 1.579 5.281 7 P-O3'-C3' 138.543 15.702 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.097 2 N19-C1'-C2' 121.553 5.096 . 0.022 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ' A' . . . . . 0.421 ' C5 ' ' N7 ' ' A' ' 33' ' ' ' G' . . . . . . . . 2 C5'--C4' 1.586 5.885 4 P-O5'-C5' 131.056 6.347 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ' G' . . . . . 0.597 ' C5 ' ' C5 ' ' A' ' 34' ' ' ' C' . . . . . . . . 0 C2'--O2' 1.444 2.375 1 N19-C1'-C2' 123.508 6.318 . 0.614 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ' C' . . . . . 0.597 ' C5 ' ' C5 ' ' A' ' 33' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.564 3.633 5 P-O3'-C3' 139.487 16.489 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.644 5.137 4 O4'-C1'-N19 116.562 8.362 . 0.205 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . 0.251 5.7 t . . . . . 0 N--CA 1.536 3.854 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 51.0 ttt-85 -74.44 -27.84 60.78 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 129.576 3.15 . . . . 0.0 109.165 177.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . 0.335 1.9 mp0 -62.34 -4.67 1.94 Allowed 'General case' 0 C--N 1.389 2.286 0 C-N-CA 125.889 1.676 . . . . 0.0 113.41 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.406 ' HA ' " H2'" ' A' ' 5' ' ' ' G' . . . -80.56 -56.98 3.8 Favored 'General case' 0 C--N 1.385 2.152 0 C-N-CA 126.088 1.755 . . . . 0.0 106.914 175.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 -54.33 -43.61 71.35 Favored 'General case' 0 C--N 1.367 1.342 0 CA-C-O 116.712 -1.613 . . . . 0.0 107.887 170.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.592 ' HD2' ' C4 ' ' A' ' 23' ' ' ' U' . 0.0 OUTLIER -69.04 18.12 0.04 OUTLIER 'General case' 0 C--N 1.39 2.334 0 N-CA-C 117.631 2.456 . . . . 0.0 117.631 172.224 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . 0.259 45.0 m-80 -143.92 -37.04 0.33 Allowed 'General case' 0 CA--C 1.566 1.574 0 C-N-CA 128.913 2.885 . . . . 0.0 112.102 176.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -80.36 -69.45 0.59 Allowed 'General case' 0 C--N 1.359 0.989 0 C-N-CA 128.629 2.772 . . . . 0.0 107.639 174.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 mmm-85 -56.01 -43.88 78.13 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 120.012 1.278 . . . . 0.0 109.825 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.448 ' HE ' ' CG ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -52.35 -46.48 66.12 Favored 'General case' 0 C--N 1.364 1.232 0 CA-C-O 115.825 -2.036 . . . . 0.0 113.377 175.865 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -70.07 -37.73 75.56 Favored 'General case' 0 C--N 1.402 2.861 0 C-N-CA 126.001 1.72 . . . . 0.0 114.335 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -77.09 -31.32 55.87 Favored 'General case' 0 C--N 1.384 2.095 0 O-C-N 121.251 -0.906 . . . . 0.0 112.005 174.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 ttp-105 -82.88 -55.62 4.29 Favored 'General case' 0 C--N 1.376 1.744 0 C-N-CA 126.192 1.797 . . . . 0.0 113.533 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.448 ' CG ' ' HE ' ' B' ' 10' ' ' ARG 0.251 3.5 mm-40 -40.41 -39.41 0.99 Allowed 'General case' 0 C--N 1.392 2.45 0 CA-C-N 122.46 2.391 . . . . 0.0 112.643 179.345 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 ttm-85 -40.07 -31.31 0.12 Allowed 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 127.9 2.48 . . . . 0.0 114.955 172.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.96 -36.81 22.97 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 129.363 3.065 . . . . 0.0 115.373 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 . . . . . 0 C--N 1.359 0.989 1 C-N-CA 131.731 4.013 . . . . 0.0 108.592 -178.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.504 -1.891 3 O4'-C1'-N19 120.872 12.672 OUTLIER-DELTA 0.0 '__' . 0.52 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.514 3 P-O3'-C3' 139.336 16.363 . 0.0 OUTLIER . 0.52 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.473 3.563 3 P-O3'-C3' 130.937 9.364 . 0.729 1a . 0.52 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . 0.652 " H2'" ' C8 ' ' A' ' 5' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.557 3.601 3 P-O5'-C5' 145.506 15.378 OUTLIER-EPSILON 0.0 OUTLIER . 0.52 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . 0.652 ' C8 ' " H2'" ' A' ' 4' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.485 -3.541 5 P-O3'-C3' 140.261 17.134 . 0.0 OUTLIER epsilon-1 0.52 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.565 4.23 4 P-O5'-C5' 139.337 11.523 . 0.01 4a . 0.52 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.627 2 P-O3'-C3' 125.754 5.045 OUTLIER-EPSILON 0.182 1c . 0.52 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ' C' . . . . . 0.647 " H2'" ' C6 ' ' A' ' 9' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.49 -3.097 4 P-O3'-C3' 141.15 17.875 . 0.0 OUTLIER epsilon-1 0.52 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ' U' . . . . . 0.647 ' C6 ' " H2'" ' A' ' 8' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.052 5 P-O5'-C5' 138.47 10.981 . 0.0 OUTLIER . 0.52 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.642 4.949 3 P-O3'-C3' 133.604 11.586 . 0.0 OUTLIER . 0.52 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . 0.57 " H2'" ' C6 ' ' A' ' 12' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.551 3.146 1 P-O5'-C5' 134.822 8.701 . 0.0 OUTLIER alpha 0.52 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . 0.57 ' C6 ' " H2'" ' A' ' 11' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.562 3.977 4 P-O3'-C3' 149.44 24.783 . 0.583 1a . 0.52 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . 0.48 ' C8 ' " H2'" ' A' ' 12' ' ' ' U' . . . . . . . . 2 P--O5' 1.652 5.899 3 P-O3'-C3' 133.289 11.324 . 0.01 1a . 0.52 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.431 ' C5 ' ' C4 ' ' A' ' 15' ' ' ' U' . . . . . . . . 1 C4'--C3' 1.479 -4.097 3 P-O5'-C5' 134.112 8.257 OUTLIER-EPSILON 0.291 1a . 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ' U' . . . . . 0.431 ' C4 ' ' C5 ' ' A' ' 14' ' ' ' C' . . . . . . . . 0 P--O5' 1.627 3.383 4 P-O3'-C3' 135.299 12.999 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.566 4.286 3 P-O3'-C3' 128.326 7.189 . 0.017 1z . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.469 3.26 4 P-O3'-C3' 141.039 17.782 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ' G' . . . . . 0.451 " H3'" ' N3 ' ' A' ' 18' ' ' ' G' . . . . . . . . 3 P--O5' 1.649 5.565 4 P-O5'-C5' 143.583 14.177 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ' G' . . . . . 0.577 " H2'" ' C6 ' ' A' ' 20' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.566 3.685 4 P-O3'-C3' 135.712 13.344 . 0.102 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . 0.577 ' C6 ' " H2'" ' A' ' 19' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.569 4.561 2 P-O5'-C5' 136.567 9.792 . 0.159 1a . 0.52 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ' A' . . . . . 0.634 " H2'" ' C6 ' ' A' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.633 3.964 3 P-O3'-C3' 125.527 4.856 . 0.734 1a . 0.52 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . 0.634 ' C6 ' " H2'" ' A' ' 21' ' ' ' A' . . . . . . . . 3 C5'--C4' 1.595 6.524 4 O5'-C5'-C4' 119.618 6.727 . 0.695 1a . 0.52 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ' U' . . . . . 0.51 ' C4 ' ' HD2' ' B' ' 6' ' ' ARG . . . . . . . . 0 P--O3' 1.638 2.547 3 P-O5'-C5' 131.245 6.466 OUTLIER-DELTA 0.0 OUTLIER delta 0.52 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.062 3 P-O5'-C5' 136.5 9.75 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.52 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.418 3 P-O3'-C3' 127.961 6.884 . 0.0 OUTLIER '7D dist 6j' 0.52 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ' A' . . . . . 0.403 ' N1 ' ' N3 ' ' A' ' 9' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.562 4.03 3 P-O3'-C3' 126.787 5.906 . 0.701 1a . 0.52 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.584 5.717 5 P-O5'-C5' 142.08 13.238 . 0.479 1a . 0.52 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.467 4.393 2 P-O3'-C3' 134.186 12.072 OUTLIER-EPSILON 0.0 OUTLIER . 0.52 . . . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.456 3.315 2 P-O3'-C3' 138.525 15.688 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.52 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.562 -3.726 3 P-O3'-C3' 142.002 18.585 . 0.0 OUTLIER epsilon-1 0.52 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.664 7.132 4 O5'-C5'-C4' 119.465 6.618 . 0.0 OUTLIER '7D dist 1c' 0.52 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.571 4.667 4 P-O3'-C3' 136.583 14.069 . 0.0 OUTLIER '7D dist 1c' 0.52 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ' G' . . . . . 0.426 ' C4 ' ' C5 ' ' A' ' 34' ' ' ' C' . . . . . . . . 2 C5'--C4' 1.581 5.439 3 P-O5'-C5' 131.71 6.756 . 0.627 1a . 0.52 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ' C' . . . . . 0.426 ' C5 ' ' C4 ' ' A' ' 33' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.552 3.248 2 P-O5'-C5' 131.671 6.732 . 0.01 1m . 0.52 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.643 4.968 4 P-O3'-C3' 133.586 11.572 . 0.097 1a . 0.52 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.535 3.801 0 CA-C-O 123.061 1.41 . . . . 0.52 109.521 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.45 ' CZ ' ' C4 ' ' A' ' 23' ' ' ' U' . 16.4 ttp85 -57.73 -38.04 74.61 Favored 'General case' 0 CA--C 1.579 2.064 0 O-C-N 118.313 -2.742 . . . . 0.52 108.252 166.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.579 HE21 ' ND2' ' B' ' 7' ' ' ASN . 56.0 tp60 -61.55 -29.92 70.32 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 128.867 2.867 . . . . 0.52 110.837 174.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.64 -52.2 65.33 Favored 'General case' 0 CA--C 1.601 2.918 0 CA-C-N 121.437 1.926 . . . . 0.52 107.008 177.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 85.9 mtm-85 -60.1 -36.85 78.34 Favored 'General case' 0 C--N 1.376 1.727 0 O-C-N 118.65 -2.531 . . . . 0.52 113.325 177.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.51 ' HD2' ' C4 ' ' A' ' 23' ' ' ' U' . 0.0 OUTLIER -62.91 -55.41 26.28 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 130.427 3.491 . . . . 0.52 104.876 175.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ASN . . . . . 0.579 ' ND2' HE21 ' B' ' 3' ' ' GLN . 3.4 m-20 -48.45 -32.23 7.46 Favored 'General case' 0 C--N 1.366 1.316 0 CA-C-O 115.157 -2.354 . . . . 0.52 114.048 172.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -73.3 0.07 Allowed 'General case' 0 C--N 1.39 2.357 0 CA-C-N 121.763 2.074 . . . . 0.52 109.712 173.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.474 ' C ' ' H ' ' B' ' 11' ' ' ARG 0.27 0.1 OUTLIER -63.54 -46.86 84.05 Favored 'General case' 0 C--N 1.379 1.871 0 CA-C-O 115.629 -2.129 . . . . 0.52 114.555 178.443 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . 0.319 0.0 OUTLIER -64.71 38.54 0.02 OUTLIER 'General case' 0 CA--C 1.585 2.317 0 C-N-CA 130.034 3.334 . . . . 0.52 110.981 176.629 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.474 ' H ' ' C ' ' B' ' 9' ' ' ARG . 60.9 mtt-85 -159.84 -74.91 0.07 Allowed 'General case' 0 C--N 1.361 1.1 1 C-N-CA 134.366 5.066 . . . . 0.52 106.282 179.254 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' TRP . . . . . . . . . . . . 0.293 57.4 m95 -68.6 -18.83 64.4 Favored 'General case' 0 C--N 1.373 1.612 0 N-CA-C 118.595 2.813 . . . . 0.52 118.595 -178.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -95.78 -15.59 22.46 Favored 'General case' 0 CA--C 1.569 1.675 0 C-N-CA 128.281 2.633 . . . . 0.52 111.792 173.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -66.79 -27.83 67.89 Favored 'General case' 0 C--N 1.367 1.345 0 C-N-CA 129.472 3.109 . . . . 0.52 112.698 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.98 -10.47 9.86 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 128.445 2.698 . . . . 0.52 111.851 173.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -111.48 -67.32 1.01 Allowed 'General case' 0 C--N 1.37 1.46 0 C-N-CA 131.011 3.724 . . . . 0.52 106.978 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 34.7 ttt-85 . . . . . 0 CA--C 1.565 1.546 0 C-N-CA 127.937 2.495 . . . . 0.52 109.704 176.747 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.461 2.715 2 C3'-C2'-C1' 106.109 5.121 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.529 HO2' " C5'" ' A' ' 3' ' ' ' C' . . . . . . . . 3 P--O5' 1.656 6.314 5 O5'-C5'-C4' 120.131 7.094 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.625 " H2'" ' C6 ' ' A' ' 4' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.556 3.563 2 P-O5'-C5' 140.667 12.354 . 0.113 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . 0.625 ' C6 ' " H2'" ' A' ' 3' ' ' ' C' . . . . . . . . 1 P--O5' 1.634 4.135 3 P-O5'-C5' 154.793 21.183 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . 0.422 " H2'" ' CB ' ' B' ' 4' ' ' ALA . . . . . . . . 2 P--O5' 1.657 6.366 4 P-O3'-C3' 135.531 13.193 . 0.154 1t . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.465 2.968 4 P-O3'-C3' 135.597 13.248 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.567 4.398 2 P-O5'-C5' 135.19 8.931 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ' C' . . . . . 0.424 ' C4 ' ' C4 ' ' A' ' 9' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.442 4 P-O5'-C5' 135.509 9.13 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ' U' . . . . . 0.424 ' C4 ' ' C4 ' ' A' ' 8' ' ' ' C' . . . . . . . . 2 C5'--C4' 1.574 4.891 6 P-O3'-C3' 147.512 23.177 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.573 4.873 2 P-O3'-C3' 138.746 15.871 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.465 2.987 2 P-O3'-C3' 137.614 14.929 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.572 4.743 2 P-O5'-C5' 129.868 5.605 . 0.393 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . 0.625 " H2'" ' C6 ' ' A' ' 14' ' ' ' C' . . . . . . . . 2 P--O5' 1.667 7.447 3 O5'-C5'-C4' 119.59 6.707 . 0.908 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.625 ' C6 ' " H2'" ' A' ' 13' ' ' ' A' . . . . . . . . 0 C2'--C1' 1.492 -3.593 3 O4'-C1'-N19 118.357 10.157 OUTLIER-EPSILON 0.151 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ' U' . . . . . 0.456 ' C6 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.067 4 P-O3'-C3' 133.248 11.29 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.485 -3.681 6 P-O3'-C3' 133.105 11.171 . 0.01 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.49 -3.85 2 C4'-C3'-C2' 107.7 5.0 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ' G' . . . . . 0.471 ' C2 ' ' C5 ' ' A' ' 19' ' ' ' G' . . . . . . . . 3 P--O5' 1.679 8.557 4 P-O3'-C3' 141.586 18.238 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ' G' . . . . . 0.714 " H2'" ' C6 ' ' A' ' 20' ' ' ' U' . . . . . . . . 2 C5'--C4' 1.579 5.274 3 P-O3'-C3' 129.528 8.19 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . 0.714 ' C6 ' " H2'" ' A' ' 19' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.555 3.5 4 P-O3'-C3' 129.955 8.545 . 0.085 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ' A' . . . . . 0.537 " H2'" ' C6 ' ' A' ' 22' ' ' ' C' . . . . . . . . 2 P--O5' 1.672 7.947 3 P-O5'-C5' 132.636 7.335 . 0.536 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . 0.537 ' C6 ' " H2'" ' A' ' 21' ' ' ' A' . . . . . . . . 2 P--O5' 1.668 7.536 3 O5'-C5'-C4' 121.015 7.725 . 0.63 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.551 2.477 2 P-O3'-C3' 135.642 13.285 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.508 -1.557 3 P-O3'-C3' 131.733 10.028 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.831 2 P-O3'-C3' 129.386 8.072 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ' A' . . . . . 0.634 " H2'" ' C8 ' ' A' ' 27' ' ' ' G' . . . . . . . . 2 C5'--C4' 1.581 5.49 4 P-O5'-C5' 142.844 13.715 . 0.407 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ' G' . . . . . 0.634 ' C8 ' " H2'" ' A' ' 26' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.558 3.723 2 P-O5'-C5' 141.252 12.72 . 0.351 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.579 5.313 5 P-O3'-C3' 137.401 14.751 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ' A' . . . . . 0.424 HO2' ' P ' ' A' ' 30' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.5 -2.188 2 P-O5'-C5' 138.252 10.845 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ' A' . . . . . 0.424 ' P ' HO2' ' A' ' 29' ' ' ' A' . . . . . . . . 1 P--O3' 1.552 -4.59 4 P-O3'-C3' 138.749 15.875 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.567 4.406 3 P-O5'-C5' 132.394 7.184 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ' A' . . . . . 0.541 ' C6 ' ' C6 ' ' A' ' 33' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.55 3.075 1 P-O5'-C5' 142.403 13.44 . 0.28 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ' G' . . . . . 0.541 ' C6 ' ' C6 ' ' A' ' 32' ' ' ' A' . . . . . . . . 0 P--O5' 1.626 3.268 1 P-O3'-C3' 126.876 5.98 . 0.182 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ' C' . . . . . 0.418 ' N4 ' ' C6 ' ' A' ' 33' ' ' ' G' . . . . . . . . 1 P--O5' 1.646 5.258 2 P-O3'-C3' 129.439 8.115 . 0.438 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.649 5.605 2 O4'-C1'-N19 121.199 12.999 . 0.01 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 1 N--CA 1.551 4.606 0 N-CA-C 121.784 3.994 . . . . 0.0 121.784 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.423 ' HD3' ' C5 ' ' A' ' 22' ' ' ' C' . 29.9 ttt-85 -75.28 -24.87 57.58 Favored 'General case' 0 C--N 1.389 2.3 0 O-C-N 118.751 -2.468 . . . . 0.0 109.641 176.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . 0.371 2.8 mm-40 -55.01 -29.67 57.84 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 126.521 1.928 . . . . 0.0 114.862 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.422 ' CB ' " H2'" ' A' ' 5' ' ' ' G' . . . -42.99 -53.16 4.91 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 127.704 2.402 . . . . 0.0 111.983 173.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 32.0 mtm105 -75.92 -40.34 54.41 Favored 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 129.776 3.231 . . . . 0.0 111.165 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -57.17 -37.62 72.37 Favored 'General case' 0 C--N 1.381 1.94 0 C-N-CA 128.096 2.558 . . . . 0.0 108.798 173.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . 0.277 35.0 m-20 -65.71 -51.74 56.91 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 130.697 3.599 . . . . 0.0 107.579 174.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -57.33 -55.48 34.29 Favored 'General case' 0 C--N 1.392 2.429 0 CA-C-N 122.44 2.382 . . . . 0.0 109.951 172.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.49 29.4 0.1 Allowed 'General case' 0 C--N 1.364 1.2 0 N-CA-C 117.93 2.567 . . . . 0.0 117.93 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.15 -77.46 0.59 Allowed 'General case' 0 C--N 1.355 0.845 0 C-N-CA 130.763 3.625 . . . . 0.0 101.616 174.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . 0.271 43.4 mtt-85 -48.98 -35.98 16.5 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 117.11 2.263 . . . . 0.0 117.11 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -100.94 15.09 29.75 Favored 'General case' 0 CA--C 1.58 2.118 0 C-N-CA 126.236 1.815 . . . . 0.0 112.029 174.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.481 HH22 ' P ' ' A' ' 26' ' ' ' A' . 2.3 tmt_? -123.88 -39.14 2.42 Favored 'General case' 0 C--N 1.373 1.62 0 C-N-CA 127.423 2.289 . . . . 0.0 112.698 -176.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.18 -12.35 2.22 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 128.251 2.62 . . . . 0.0 113.433 177.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . 0.255 94.5 mtt180 -87.4 -5.28 58.92 Favored 'General case' 0 CA--C 1.598 2.811 1 C-N-CA 132.657 4.383 . . . . 0.0 113.806 177.717 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -105.71 -61.42 1.5 Allowed 'General case' 0 C--N 1.373 1.629 1 C-N-CA 134.067 4.947 . . . . 0.0 108.585 177.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? . . . . . 0 C--N 1.385 2.132 0 C-N-CA 126.661 1.985 . . . . 0.0 109.036 179.869 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.448 1.804 1 O4'-C1'-N19 113.689 5.489 . 0.0 '__' . 0.37 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.349 2 P-O3'-C3' 133.37 11.392 . 0.0 OUTLIER . 0.37 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.73 " H2'" ' C6 ' ' A' ' 4' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.562 3.969 3 P-O5'-C5' 144.134 14.521 . 0.173 &a . 0.37 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . 0.73 ' C6 ' " H2'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.557 3.652 2 P-O5'-C5' 130.901 6.251 . 0.131 1a . 0.37 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . 0.405 " H2'" ' HA ' ' B' ' 4' ' ' ALA . . . . . . . . 1 C5'--C4' 1.59 6.186 4 P-O3'-C3' 134.254 12.128 . 0.0 OUTLIER . 0.37 . . . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.565 4 P-O3'-C3' 133.98 11.9 . 0.0 OUTLIER '7D dist 4a' 0.37 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.568 4.44 1 P-O5'-C5' 131.962 6.914 . 0.104 1c . 0.37 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ' C' . . . . . 0.457 " H2'" ' C6 ' ' A' ' 9' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.543 2.522 5 P-O5'-C5' 138.74 11.15 OUTLIER-EPSILON 0.319 1a . 0.37 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ' U' . . . . . 0.457 ' C6 ' " H2'" ' A' ' 8' ' ' ' C' . . . . . . . . 2 P--O5' 1.646 5.337 6 P-O3'-C3' 142.663 19.136 . 0.0 OUTLIER epsilon-1 0.37 . . . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ' C' . . . . . 0.426 " H2'" ' C8 ' ' A' ' 11' ' ' ' G' . . . . . . . . 1 P--O5' 1.637 4.413 3 P-O3'-C3' 133.838 11.782 . 0.408 1c . 0.37 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . 0.653 " H2'" ' C6 ' ' A' ' 12' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.548 2.944 2 P-O5'-C5' 138.084 10.74 . 0.117 1a . 0.37 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . 0.653 ' C6 ' " H2'" ' A' ' 11' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.558 3.68 1 P-O3'-C3' 136.415 13.929 . 0.068 1c . 0.37 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . 0.513 ' C2 ' ' N3 ' ' A' ' 21' ' ' ' A' . . . . . . . . 3 P--O5' 1.647 5.367 3 O5'-C5'-C4' 119.416 6.583 . 0.15 1a . 0.37 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.505 ' C5 ' ' C5 ' ' A' ' 13' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.484 -3.643 3 O4'-C1'-N19 114.511 6.311 OUTLIER-EPSILON 0.356 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.487 -4.093 3 P-O3'-C3' 136.667 14.139 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.499 -2.904 2 C5'-C4'-C3' 124.557 6.038 . 0.11 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.472 3.481 2 O4'-C1'-N19 114.114 5.914 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ' G' . . . . . 0.564 " H3'" ' N3 ' ' A' ' 18' ' ' ' G' . . . . . . . . 2 C5'--C4' 1.571 4.695 4 P-O3'-C3' 139.478 16.481 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ' G' . . . . . 0.568 " H2'" ' C6 ' ' A' ' 20' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.556 3.545 2 P-O3'-C3' 135.278 12.981 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . 0.568 ' C6 ' " H2'" ' A' ' 19' ' ' ' G' . . . . . . . . 3 P--O5' 1.649 5.581 2 O5'-C5'-C4' 119.107 6.362 . 0.692 1L . 0.37 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ' A' . . . . . 0.62 ' C4 ' ' C5 ' ' A' ' 22' ' ' ' C' . . . . . . . . 0 P--O3' 1.655 3.968 1 N19-C1'-C2' 124.516 6.948 . 0.409 1a . 0.37 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . 0.62 ' C5 ' ' C4 ' ' A' ' 21' ' ' ' A' . . . . . . . . 1 C5'--C4' 1.563 4.101 1 P-O5'-C5' 143.923 14.389 . 0.822 1a . 0.37 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ' U' . . . . . 0.716 ' C4 ' ' HD2' ' B' ' 6' ' ' ARG . . . . . . . . 0 C2'--O2' 1.432 1.472 4 P-O3'-C3' 132.439 10.616 OUTLIER-DELTA 0.0 OUTLIER gamma 0.37 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.575 4.992 4 P-O3'-C3' 139.107 16.172 . 0.0 OUTLIER . 0.37 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . 0.453 ' C8 ' ' C2 ' ' A' ' 23' ' ' ' U' . . . . . . . . 0 O3'--C3' 1.468 3.222 3 P-O5'-C5' 129.526 5.391 . 0.0 OUTLIER gamma 0.37 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ' A' . . . . . 0.419 HO2' " C5'" ' A' ' 27' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.564 4.171 5 P-O3'-C3' 129.732 8.36 . 0.158 1a . 0.37 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ' G' . . . . . 0.419 " C5'" HO2' ' A' ' 26' ' ' ' A' . . . . . . . . 2 C5'--C4' 1.601 7.02 3 P-O3'-C3' 137.449 14.791 . 0.227 1a . 0.37 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ' A' . . . . . 0.438 HO2' ' P ' ' A' ' 29' ' ' ' A' . . . . . . . . 0 O3'--C3' 1.452 2.106 1 P-O3'-C3' 126.486 5.655 OUTLIER-EPSILON 0.0 OUTLIER . 0.37 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ' A' . . . . . 0.468 HO2' ' P ' ' A' ' 30' ' ' ' A' . . . . . . . . 3 C3'--C2' 1.585 5.46 4 P-O3'-C3' 138.787 15.906 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.37 . . . . . . . . . . 5 4 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ' A' . . . . . 0.58 ' C2 ' " H1'" ' A' ' 31' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.556 3.536 3 P-O3'-C3' 136.226 13.771 . 0.0 OUTLIER epsilon-1 0.37 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ' C' . . . . . 0.58 " H1'" ' C2 ' ' A' ' 30' ' ' ' A' . . . . . . . . 3 P--O5' 1.678 8.465 6 P-O5'-C5' 139.22 11.45 . 0.0 OUTLIER . 0.37 . . . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ' A' . . . . . 0.461 " H2'" ' C8 ' ' A' ' 33' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.557 3.609 3 P-O3'-C3' 131.115 9.512 . 0.0 OUTLIER . 0.37 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ' G' . . . . . 0.534 ' C5 ' ' C5 ' ' A' ' 34' ' ' ' C' . . . . . . . . 0 C2'--O2' 1.447 2.601 1 O5'-C5'-C4' 115.883 4.06 . 0.294 1a . 0.37 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ' C' . . . . . 0.534 ' C5 ' ' C5 ' ' A' ' 33' ' ' ' G' . . . . . . . . 2 O4'--C1' 1.465 4.263 4 P-O3'-C3' 151.377 26.398 . 0.0 OUTLIER . 0.37 . . . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.567 3.865 1 P-O5'-C5' 133.723 8.014 . 0.397 1a . 0.37 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.501 2.105 0 CA-C-O 122.064 0.935 . . . . 0.37 109.013 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.445 ' HD3' ' OP2' ' A' ' 22' ' ' ' C' . 52.7 ttp85 -61.54 -27.94 68.97 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.285 -1.509 . . . . 0.37 110.327 173.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -78.97 -6.48 56.38 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 128.077 2.551 . . . . 0.37 113.204 175.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.405 ' HA ' " H2'" ' A' ' 5' ' ' ' G' . . . -76.28 -51.64 11.6 Favored 'General case' 0 C--N 1.386 2.18 0 CA-C-N 120.81 1.641 . . . . 0.37 109.318 177.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -49.0 -51.25 31.76 Favored 'General case' 0 C--N 1.381 1.967 0 C-N-CA 128.933 2.893 . . . . 0.37 105.331 171.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.716 ' HD2' ' C4 ' ' A' ' 23' ' ' ' U' . 0.0 OUTLIER -62.35 -0.57 0.59 Allowed 'General case' 0 C--N 1.386 2.164 0 N-CA-C 117.051 2.241 . . . . 0.37 117.051 176.359 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -122.93 -44.15 2.2 Favored 'General case' 0 CA--C 1.559 1.307 0 O-C-N 118.795 -2.44 . . . . 0.37 111.931 174.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -63.01 1.32 Allowed 'General case' 0 C--N 1.377 1.783 0 C-N-CA 125.61 1.564 . . . . 0.37 111.692 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -51.14 71.23 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 125.61 1.564 . . . . 0.37 108.855 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.403 ' HA ' ' HB3' ' B' ' 13' ' ' ARG . 1.1 tmm_? -46.25 -60.9 2.03 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 129.615 3.166 . . . . 0.37 114.666 176.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . 0.396 0.0 OUTLIER -54.75 -43.42 72.69 Favored 'General case' 0 C--N 1.379 1.887 0 CA-C-N 123.349 2.795 . . . . 0.37 113.265 -178.575 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' TRP . . . . . . . . . . . . 0.279 8.3 t-105 -68.42 -47.76 66.39 Favored 'General case' 0 C--N 1.379 1.855 0 CA-C-N 120.754 1.616 . . . . 0.37 110.73 171.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.403 ' HB3' ' HA ' ' B' ' 10' ' ' ARG . 8.9 ttp180 -52.34 -55.32 22.32 Favored 'General case' 0 C--N 1.389 2.305 1 C-N-CA 133.299 4.639 . . . . 0.37 115.782 178.171 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . 0.298 67.3 mm-40 -44.72 -38.48 4.44 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 126.76 2.024 . . . . 0.37 112.779 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 77.8 mtm-85 -56.98 -21.68 32.37 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 127.951 2.5 . . . . 0.37 114.464 173.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -89.01 -54.65 4.02 Favored 'General case' 0 C--N 1.372 1.546 0 C-N-CA 127.393 2.277 . . . . 0.37 108.272 173.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.378 1.814 1 C-N-CA 133.358 4.663 . . . . 0.37 104.503 177.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.438 1.957 0 O4'-C4'-C3' 102.312 -2.277 . 0.0 '__' . 0.27 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.645 5.187 3 O5'-C5'-C4' 118.775 6.125 . 0.449 1a . 0.27 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.667 " H2'" ' C6 ' ' A' ' 4' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.573 4.842 3 P-O5'-C5' 147.083 16.364 . 0.027 1m . 0.27 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . 0.667 ' C6 ' " H2'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 P--O3' 1.647 3.311 4 P-O5'-C5' 130.324 5.89 . 0.099 1a . 0.27 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . 0.53 " C5'" HO2' ' A' ' 4' ' ' ' U' . . . . . . . . 2 C5'--C4' 1.616 8.163 7 P-O5'-C5' 142.93 13.769 . 0.0 OUTLIER '7D dist 1b' 0.27 . . . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.578 4.961 6 P-O3'-C3' 136.267 13.806 . 0.166 4n . 0.27 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.573 4.82 2 P-O5'-C5' 137.541 10.401 . 0.0 OUTLIER . 0.27 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ' C' . . . . . 0.626 " H2'" ' C6 ' ' A' ' 9' ' ' ' U' . . . . . . . . 2 C5'--C4' 1.59 6.167 3 P-O5'-C5' 129.703 5.502 . 0.0 OUTLIER '7D dist 1c' 0.27 . . . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ' U' . . . . . 0.626 ' C6 ' " H2'" ' A' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.456 3.495 4 P-O5'-C5' 139.75 11.781 OUTLIER-EPSILON 0.0 OUTLIER . 0.27 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ' C' . . . . . 0.401 ' C5 ' ' C4 ' ' A' ' 9' ' ' ' U' . . . . . . . . 2 P--O5' 1.647 5.372 2 P-O3'-C3' 146.26 22.133 . 0.0 OUTLIER epsilon-1 0.27 . . . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . 0.523 " H2'" ' C6 ' ' A' ' 12' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.557 3.618 2 P-O5'-C5' 139.545 11.653 OUTLIER-EPSILON 0.206 1a . 0.27 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . 0.523 ' C6 ' " H2'" ' A' ' 11' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.475 3.684 2 P-O3'-C3' 136.894 14.328 . 0.0 OUTLIER epsilon-1 0.27 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . 0.542 " H2'" ' C6 ' ' A' ' 14' ' ' ' C' . . . . . . . . 2 C5'--C4' 1.586 5.838 2 P-O5'-C5' 134.295 8.372 . 0.308 1a . 0.27 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.542 ' C6 ' " H2'" ' A' ' 13' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.557 3.629 5 P-O3'-C3' 129.308 8.007 OUTLIER-EPSILON 0.361 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ' U' . . . . . 0.448 ' C6 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.451 3.088 4 P-O3'-C3' 138.398 15.582 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.609 7.595 4 P-O5'-C5' 138.698 11.124 . 0.013 1z . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ' C' . . . . . 0.433 " H4'" ' N3 ' ' A' ' 18' ' ' ' G' . . . . . . . . 2 O3'--C3' 1.496 5.214 3 P-O3'-C3' 137.101 14.501 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ' G' . . . . . 0.492 ' C2 ' ' C5 ' ' A' ' 19' ' ' ' G' . . . . . . . . 4 P--O5' 1.667 7.359 4 P-O3'-C3' 137.283 14.652 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ' G' . . . . . 0.584 " H2'" ' C6 ' ' A' ' 20' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.572 4.786 2 P-O3'-C3' 128.616 7.43 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . 0.588 " H2'" ' C8 ' ' A' ' 21' ' ' ' A' . . . . . . . . 0 C2'--C1' 1.499 -2.857 3 P-O3'-C3' 132.234 10.445 . 0.193 1a . 0.27 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ' A' . . . . . 0.588 ' C8 ' " H2'" ' A' ' 20' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.571 4.729 3 P-O5'-C5' 143.468 14.105 . 0.292 1a . 0.27 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . 0.567 ' C6 ' " H2'" ' A' ' 21' ' ' ' A' . . . . . . . . 2 C5'--C4' 1.58 5.375 5 P-O5'-C5' 133.753 8.033 . 0.623 1a . 0.27 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ' U' . . . . . 0.433 ' C5 ' ' HB2' ' B' ' 6' ' ' ARG . . . . . . . . 0 C2'--C1' 1.56 3.2 3 P-O5'-C5' 130.811 6.194 OUTLIER-DELTA 0.0 OUTLIER delta 0.27 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.664 4.749 3 P-O3'-C3' 131.876 10.147 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.27 . . . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.462 2.753 1 P-O3'-C3' 128.011 6.926 . 0.057 1f . 0.27 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ' A' . . . . . 0.574 " H2'" ' C8 ' ' A' ' 27' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.587 5.935 5 P-O5'-C5' 150.416 18.447 . 0.0 OUTLIER gamma 0.27 . . . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ' G' . . . . . 0.574 ' C8 ' " H2'" ' A' ' 26' ' ' ' A' . . . . . . . . 1 C5'--C4' 1.577 5.116 4 P-O5'-C5' 131.791 6.807 OUTLIER-EPSILON 0.125 1a . 0.27 . . . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ' A' . . . . . 0.45 " H2'" " H3'" ' A' ' 27' ' ' ' G' . . . . . . . . 1 C3'--C2' 1.574 4.451 5 P-O3'-C3' 139.818 16.765 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.27 . . . . . . . . . . 5 4 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ' A' . . . . . 0.427 HO2' ' P ' ' A' ' 30' ' ' ' A' . . . . . . . . 0 C2'--O2' 1.463 3.868 1 C4'-C3'-C2' 107.237 4.537 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.27 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ' A' . . . . . 0.427 ' P ' HO2' ' A' ' 29' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.562 3.977 6 P-O3'-C3' 139.236 16.28 . 0.0 OUTLIER epsilon-1 0.27 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ' C' . . . . . 0.415 " H2'" ' C8 ' ' A' ' 32' ' ' ' A' . . . . . . . . 1 C5'--C4' 1.573 4.851 2 N19-C1'-C2' 121.358 4.974 . 0.0 OUTLIER . 0.27 . . . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ' A' . . . . . 0.574 " H2'" ' C8 ' ' A' ' 33' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.497 -2.519 3 P-O5'-C5' 139.406 11.567 . 0.01 1m . 0.27 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ' G' . . . . . 0.574 ' C8 ' " H2'" ' A' ' 32' ' ' ' A' . . . . . . . . 0 C2'--O2' 1.446 2.569 1 P-O3'-C3' 125.98 5.233 . 0.435 1a . 0.27 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.566 3.774 2 P-O3'-C3' 139.306 16.338 . 0.059 1a . 0.27 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.647 5.38 3 O4'-C1'-N19 120.645 12.445 . 0.01 1a . 0.27 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.526 3.374 0 N-CA-C 114.421 1.267 . . . . 0.27 114.421 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.42 ' CZ ' ' C4 ' ' A' ' 23' ' ' ' U' . 14.0 ttp85 -59.5 -33.11 70.93 Favored 'General case' 0 C--N 1.383 2.033 0 C-N-CA 128.109 2.564 . . . . 0.27 110.19 174.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.403 HE21 ' HA ' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -60.98 -8.08 2.93 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 128.045 2.538 . . . . 0.27 115.07 179.586 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.448 ' HB3' " H2'" ' A' ' 5' ' ' ' G' . . . -76.77 -75.76 0.19 Allowed 'General case' 0 C--N 1.359 1.004 0 N-CA-C 105.305 -2.109 . . . . 0.27 105.305 171.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -26.64 -51.12 0.05 OUTLIER 'General case' 0 C--N 1.382 1.989 1 C-N-CA 132.443 4.297 . . . . 0.27 114.32 174.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.433 ' HB2' ' C5 ' ' A' ' 23' ' ' ' U' 0.283 3.9 tpm_? -48.32 -38.65 19.58 Favored 'General case' 0 C--N 1.376 1.722 1 C-N-CA 134.896 5.278 . . . . 0.27 115.017 173.451 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -97.71 -42.42 7.63 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 131.119 3.768 . . . . 0.27 107.879 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -46.71 82.68 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 122.282 2.31 . . . . 0.27 114.908 178.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.77 -23.71 64.34 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 119.176 -2.203 . . . . 0.27 111.146 176.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -65.75 -65.39 0.68 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 127.639 2.375 . . . . 0.27 110.525 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.47 -31.45 64.02 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 124.329 1.052 . . . . 0.27 113.408 178.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -82.93 -36.02 25.57 Favored 'General case' 0 CA--C 1.554 1.111 0 O-C-N 119.398 -2.064 . . . . 0.27 110.492 175.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . 0.445 0.1 OUTLIER -62.38 -48.57 79.16 Favored 'General case' 0 C--N 1.387 2.203 0 O-C-N 118.814 -2.429 . . . . 0.27 110.546 177.156 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -34.88 -42.18 0.15 Allowed 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 127.156 2.182 . . . . 0.27 114.159 174.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -38.89 78.37 Favored 'General case' 0 C--N 1.372 1.557 0 C-N-CA 126.796 2.039 . . . . 0.27 114.039 176.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . 0.251 0.0 OUTLIER -89.2 -43.03 11.3 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 126.721 2.008 . . . . 0.27 109.757 172.833 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.373 1.591 0 C-N-CA 129.955 3.302 . . . . 0.27 105.263 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.433 1.552 0 C3'-C2'-C1' 104.378 3.198 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.673 " H2'" ' C6 ' ' A' ' 3' ' ' ' C' . . . . . . . . 2 P--O5' 1.643 4.962 2 P-O3'-C3' 136.925 14.354 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.673 ' C6 ' " H2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.561 3.349 2 P-O5'-C5' 133.065 7.603 OUTLIER-EPSILON 0.255 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . 0.66 " H2'" ' C8 ' ' A' ' 5' ' ' ' G' . . . . . . . . 2 C5'--C4' 1.581 5.442 3 P-O3'-C3' 142.79 19.242 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . 0.66 ' C8 ' " H2'" ' A' ' 4' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.577 5.12 4 P-O3'-C3' 139.03 16.108 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.536 3 P-O5'-C5' 141.252 12.72 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.645 5.176 4 O5'-C5'-C4' 118.744 6.103 . 0.247 1c . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ' C' . . . . . 0.503 " H2'" ' C6 ' ' A' ' 9' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.556 3.51 3 P-O5'-C5' 135.979 9.425 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ' U' . . . . . 0.503 ' C6 ' " H2'" ' A' ' 8' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.554 3.352 4 P-O5'-C5' 135.258 8.973 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ' C' . . . . . 0.551 " H2'" ' C8 ' ' A' ' 11' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.56 3.814 3 P-O3'-C3' 139.488 16.49 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . 0.691 " H2'" ' C6 ' ' A' ' 12' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.561 3.926 2 P-O5'-C5' 135.248 8.968 . 0.278 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . 0.691 ' C6 ' " H2'" ' A' ' 11' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.741 3 P-O3'-C3' 129.859 8.465 . 0.197 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . 0.485 ' C2 ' ' N3 ' ' A' ' 21' ' ' ' A' . . . . . . . . 2 P--O5' 1.654 6.094 4 P-O3'-C3' 129.417 8.098 . 0.164 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.229 2 P-O5'-C5' 134.441 8.463 . 0.443 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ' U' . . . . . 0.531 " H2'" ' C5 ' ' A' ' 17' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.565 4.193 3 P-O5'-C5' 145.359 15.287 . 0.776 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.581 5.464 5 P-O5'-C5' 134.807 8.692 . 0.124 1z . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ' C' . . . . . 0.531 ' C5 ' " H2'" ' A' ' 15' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.564 3.532 2 P-O3'-C3' 140.252 17.127 OUTLIER-EPSILON 0.013 2a . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ' G' . . . . . 0.514 " H3'" ' N3 ' ' A' ' 18' ' ' ' G' . . . . . . . . 2 P--O5' 1.664 7.115 6 P-O3'-C3' 138.25 15.458 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ' G' . . . . . 0.654 " H2'" ' C6 ' ' A' ' 20' ' ' ' U' . . . . . . . . 4 P--O5' 1.654 6.09 3 P-O3'-C3' 134.413 12.261 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . 0.654 ' C6 ' " H2'" ' A' ' 19' ' ' ' G' . . . . . . . . 0 P--O3' 1.654 3.892 3 P-O3'-C3' 136.899 14.332 . 0.282 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ' A' . . . . . 0.594 " H2'" ' C6 ' ' A' ' 22' ' ' ' C' . . . . . . . . 2 P--O5' 1.65 5.73 4 P-O3'-C3' 129.6 8.25 . 0.49 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . 0.594 ' C6 ' " H2'" ' A' ' 21' ' ' ' A' . . . . . . . . 2 C2'--C1' 1.595 6.651 2 P-O5'-C5' 137.131 10.144 . 0.756 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ' U' . . . . . 0.646 ' C4 ' ' HD2' ' B' ' 6' ' ' ARG . . . . . . . . 0 P--O5' 1.573 -2.009 2 C4'-C3'-C2' 108.712 6.012 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.489 -3.309 1 P-O5'-C5' 137.412 10.32 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.492 -2.969 2 P-O3'-C3' 138.037 15.281 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.567 3.937 2 P-O3'-C3' 132.592 10.744 . 0.037 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ' G' . . . . . 0.401 " H3'" " H2'" ' A' ' 28' ' ' ' A' . . . . . . . . 1 C2'--C1' 1.57 4.224 2 P-O3'-C3' 128.248 7.123 . 0.362 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ' A' . . . . . 0.553 ' C2 ' ' C6 ' ' A' ' 30' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.556 2.796 4 P-O3'-C3' 127.608 6.59 OUTLIER-EPSILON 0.121 5z . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ' A' . . . . . 0.479 " H1'" HH21 ' B' ' 11' ' ' ARG . . . . . . . . 2 O4'--C1' 1.47 4.68 5 P-O3'-C3' 137.396 14.747 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ' A' . . . . . 0.553 ' C6 ' ' C2 ' ' A' ' 28' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.555 3.471 2 P-O5'-C5' 132.635 7.334 . 0.04 3a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.576 5.057 4 P-O5'-C5' 132.134 7.021 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.572 4.78 2 O5'-C5'-C4' 117.459 5.185 . 0.775 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ' G' . . . . . 0.581 " H2'" ' C6 ' ' A' ' 34' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.572 4.785 3 P-O3'-C3' 127.585 6.571 . 0.13 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ' C' . . . . . 0.581 ' C6 ' " H2'" ' A' ' 33' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.561 3.907 2 P-O5'-C5' 136.287 9.617 . 0.347 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.64 4.656 4 P-O3'-C3' 132.792 10.91 . 0.232 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.511 2.585 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.447 ' NH2' ' C4 ' ' A' ' 23' ' ' ' U' . 7.5 ttp85 -55.12 -24.16 24.52 Favored 'General case' 0 C--N 1.377 1.799 0 CA-C-O 123.58 1.657 . . . . 0.0 113.78 178.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -11.93 60.09 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 125.704 1.601 . . . . 0.0 114.628 178.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.455 ' HA ' " H2'" ' A' ' 5' ' ' ' G' . . . -80.64 -49.65 10.97 Favored 'General case' 0 C--N 1.365 1.252 0 C-N-CA 124.929 1.291 . . . . 0.0 108.08 174.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.86 -48.33 31.14 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 130.417 3.487 . . . . 0.0 111.2 175.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.646 ' HD2' ' C4 ' ' A' ' 23' ' ' ' U' . 2.3 ttt-85 -52.74 -34.15 51.42 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 129.046 2.938 . . . . 0.0 112.384 173.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . 0.264 34.8 m-80 -92.49 -42.72 9.56 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 127.15 2.18 . . . . 0.0 111.771 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -53.55 -48.03 69.49 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 121.237 1.835 . . . . 0.0 109.279 173.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -51.74 68.66 Favored 'General case' 0 C--N 1.392 2.416 0 CA-C-N 121.659 2.027 . . . . 0.0 112.167 173.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -51.27 -37.9 49.79 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-O 116.963 -1.494 . . . . 0.0 110.455 177.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.479 HH21 " H1'" ' A' ' 29' ' ' ' A' 0.442 0.0 OUTLIER -70.45 -49.86 44.3 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 127.158 2.183 . . . . 0.0 113.448 176.788 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' TRP . . . . . . . . . . . . 0.331 57.3 m95 -58.25 -29.25 65.61 Favored 'General case' 0 CA--C 1.58 2.105 0 CA-C-N 122.287 2.312 . . . . 0.0 111.209 173.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -73.73 -60.29 2.32 Favored 'General case' 0 C--N 1.388 2.242 0 C-N-CA 126.83 2.052 . . . . 0.0 107.884 170.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -36.97 -47.24 0.69 Allowed 'General case' 0 C--N 1.394 2.543 0 C-N-CA 128.753 2.821 . . . . 0.0 111.11 176.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -44.06 -40.6 4.96 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 129.369 3.068 . . . . 0.0 113.405 174.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -76.98 -17.65 58.74 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 125.878 1.671 . . . . 0.0 114.193 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 26.9 mtm105 . . . . . 0 C--N 1.381 1.96 0 C-N-CA 126.75 2.02 . . . . 0.0 111.364 179.688 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.557 2.889 4 O4'-C1'-N19 117.636 9.436 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.705 " H2'" ' C6 ' ' A' ' 3' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.56 3.819 3 P-O3'-C3' 134.104 12.003 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.705 ' C6 ' " H2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.461 2.693 3 P-O5'-C5' 133.143 7.652 . 0.658 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . 0.529 ' C6 ' " H2'" ' A' ' 3' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.564 4.173 4 P-O5'-C5' 134.846 8.716 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ' G' . . . . . 0.459 ' C8 ' " H2'" ' A' ' 4' ' ' ' U' . . . . . . . . 0 P--O3' 1.567 -3.329 4 P-O3'-C3' 133.886 11.821 . 0.249 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.564 4.151 5 P-O3'-C3' 131.954 10.212 . 0.015 4a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ' A' . . . . . 0.559 ' H62' ' HG2' ' B' ' 3' ' ' GLN . . . . . . . . 0 O3'--C3' 1.46 2.625 2 P-O5'-C5' 146.531 16.019 . 0.01 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ' C' . . . . . 0.664 " H2'" ' C6 ' ' A' ' 9' ' ' ' U' . . . . . . . . 0 C2'--C1' 1.495 -3.301 3 P-O5'-C5' 131.965 6.916 . 0.688 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ' U' . . . . . 0.664 ' C6 ' " H2'" ' A' ' 8' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.544 2.577 3 P-O3'-C3' 133.719 11.683 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ' C' . . . . . 0.467 " H2'" ' C8 ' ' A' ' 11' ' ' ' G' . . . . . . . . 0 P--O5' 1.632 3.903 2 P-O3'-C3' 131.713 10.011 . 0.5 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . 0.62 " H2'" ' C6 ' ' A' ' 12' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.559 3.752 2 P-O5'-C5' 140.757 12.411 . 0.182 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . 0.62 ' C6 ' " H2'" ' A' ' 11' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.551 3.124 3 P-O3'-C3' 129.587 8.239 . 0.848 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . 0.437 ' C8 ' " H2'" ' A' ' 12' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.579 5.306 3 P-O5'-C5' 147.428 16.58 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.443 " H2'" ' C6 ' ' A' ' 15' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.49 -3.05 3 O4'-C1'-N19 116.951 8.751 OUTLIER-EPSILON 0.446 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ' U' . . . . . 0.443 ' C6 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 C2'--C1' 1.488 -3.995 3 P-O3'-C3' 138.632 15.777 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.575 5.005 3 P-O5'-C5' 132.226 7.079 . 0.146 1z . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ' C' . . . . . 0.403 " H1'" ' N2 ' ' A' ' 18' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.564 3.571 2 P-O3'-C3' 141.986 18.572 OUTLIER-EPSILON 0.011 2a . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ' G' . . . . . 0.419 " H3'" ' N3 ' ' A' ' 18' ' ' ' G' . . . . . . . . 2 P--O5' 1.683 8.964 6 P-O3'-C3' 136.919 14.349 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ' G' . . . . . 0.611 " H2'" ' C6 ' ' A' ' 20' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.56 3.852 2 P-O3'-C3' 147.618 23.265 . 0.292 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . 0.611 ' C6 ' " H2'" ' A' ' 19' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.551 3.168 3 P-O5'-C5' 135.841 9.338 . 0.424 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ' A' . . . . . 0.503 ' C8 ' " H2'" ' A' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.492 3.23 3 P-O5'-C5' 142.619 13.575 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . 0.483 " H5'" HO2' ' A' ' 21' ' ' ' A' . . . . . . . . 1 C5'--C4' 1.567 4.376 2 P-O5'-C5' 139.386 11.554 . 0.391 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ' U' . . . . . 0.476 ' N3 ' ' HD2' ' B' ' 6' ' ' ARG . . . . . . . . 0 O3'--C3' 1.47 3.371 2 P-O5'-C5' 132.825 7.453 . 0.0 OUTLIER '7D dist 7r' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.572 4.747 4 P-O3'-C3' 140.6 17.416 . 0.068 0k . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.466 3.077 2 P-O5'-C5' 147.792 16.808 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ' A' . . . . . 0.498 " H2'" ' C8 ' ' A' ' 27' ' ' ' G' . . . . . . . . 1 P--O3' 1.655 4.021 1 P-O5'-C5' 131.148 6.405 . 0.157 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ' G' . . . . . 0.498 ' C8 ' " H2'" ' A' ' 26' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.557 3.595 2 P-O5'-C5' 132.525 7.266 . 0.067 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ' A' . . . . . 0.427 ' C2 ' ' C5 ' ' A' ' 30' ' ' ' A' . . . . . . . . 1 C3'--C2' 1.571 4.178 2 P-O3'-C3' 138.044 15.287 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.459 2.567 3 P-O3'-C3' 139.171 16.226 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ' A' . . . . . 0.427 ' C5 ' ' C2 ' ' A' ' 28' ' ' ' A' . . . . . . . . 1 C5'--C4' 1.564 4.138 6 P-O3'-C3' 138.081 15.318 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ' C' . . . . . 0.423 " H1'" ' C2 ' ' A' ' 30' ' ' ' A' . . . . . . . . 2 P--O5' 1.659 6.633 5 O4'-C1'-N19 119.154 10.954 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.66 4.447 5 P-O3'-C3' 132.891 10.992 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ' G' . . . . . 0.701 " H2'" ' C6 ' ' A' ' 34' ' ' ' C' . . . . . . . . 2 C5'--C4' 1.574 4.913 3 P-O3'-C3' 132.769 10.891 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ' C' . . . . . 0.701 ' C6 ' " H2'" ' A' ' 33' ' ' ' G' . . . . . . . . 2 C5'--C4' 1.569 4.549 3 P-O3'-C3' 134.739 12.532 . 0.577 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.569 4.513 4 P-O3'-C3' 131.825 10.104 . 0.01 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.512 2.675 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . 0.265 5.1 ttp180 59.48 -52.72 0.07 Allowed 'General case' 0 C--N 1.375 1.687 0 C-N-CA 131.388 3.875 . . . . 0.0 116.096 -178.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . 0.559 ' HG2' ' H62' ' A' ' 7' ' ' ' A' . 33.2 tp60 -47.14 -34.82 6.49 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 127.686 2.394 . . . . 0.0 114.591 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.54 -44.09 68.91 Favored 'General case' 0 CA--C 1.592 2.579 0 CA-C-O 125.105 2.383 . . . . 0.0 111.125 176.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 69.6 mtm-85 -70.46 -25.93 63.4 Favored 'General case' 0 C--N 1.389 2.307 0 C-N-CA 127.884 2.474 . . . . 0.0 109.773 175.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.476 ' HD2' ' N3 ' ' A' ' 23' ' ' ' U' . 1.2 ttt85 -73.27 -69.61 0.41 Allowed 'General case' 0 C--O 1.197 -1.685 0 C-N-CA 129.845 3.258 . . . . 0.0 103.137 172.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . 0.481 45.7 m-20 -37.22 -56.81 0.92 Allowed 'General case' 0 C--N 1.362 1.133 0 CA-C-N 124.855 3.48 . . . . 0.0 116.551 -178.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ttm105 -49.8 -54.5 18.85 Favored 'General case' 0 C--N 1.384 2.069 0 CA-C-N 119.429 1.013 . . . . 0.0 109.575 172.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -67.62 -49.8 61.23 Favored 'General case' 0 C--O 1.205 -1.283 0 C-N-CA 130.578 3.551 . . . . 0.0 115.514 176.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . 0.285 0.0 OUTLIER -64.23 45.88 0.02 OUTLIER 'General case' 0 CA--C 1.565 1.529 1 C-N-CA 133.861 4.865 . . . . 0.0 107.101 176.087 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.52 -77.66 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.566 1 C-N-CA 134.186 4.994 . . . . 0.0 101.982 -172.248 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' TRP . . . . . . . . . . . . 0.331 92.9 m95 -55.71 -26.04 43.17 Favored 'General case' 0 C--N 1.382 2.018 0 O-C-N 118.595 -2.566 . . . . 0.0 117.119 178.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 ttt85 -63.62 -61.73 2.13 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 128.066 2.546 . . . . 0.0 104.196 174.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -33.69 -49.2 0.3 Allowed 'General case' 0 N--CA 1.498 1.95 1 C-N-CA 131.905 4.082 . . . . 0.0 114.51 178.241 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -64.12 -11.2 27.92 Favored 'General case' 0 CA--C 1.566 1.594 0 C-N-CA 125.628 1.571 . . . . 0.0 114.351 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.44 -38.3 0.84 Allowed 'General case' 0 CA--C 1.57 1.745 0 C-N-CA 130.948 3.699 . . . . 0.0 114.193 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 38.3 ttt-85 . . . . . 0 C--N 1.363 1.194 1 C-N-CA 134.064 4.945 . . . . 0.0 110.384 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . 0.335 1.9 mp0 . . . . . 0 CA--C 1.539 0.535 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.56 -56.98 3.8 Favored 'General case' 0 C--N 1.385 2.152 0 C-N-CA 126.088 1.755 . . . . 0.0 106.914 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 -54.33 -43.61 71.35 Favored 'General case' 0 C--N 1.367 1.342 0 CA-C-O 116.712 -1.613 . . . . 0.0 107.887 170.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.51 HH11 ' HG2' ' B' ' 6' ' ' ARG . 0.0 OUTLIER -69.04 18.12 0.04 OUTLIER 'General case' 0 C--N 1.39 2.334 0 N-CA-C 117.631 2.456 . . . . 0.0 117.631 172.224 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . 0.259 45.0 m-80 -143.92 -37.04 0.33 Allowed 'General case' 0 CA--C 1.566 1.574 0 C-N-CA 128.913 2.885 . . . . 0.0 112.102 176.195 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -80.36 -69.45 0.59 Allowed 'General case' 0 C--N 1.359 0.989 0 C-N-CA 128.629 2.772 . . . . 0.0 107.639 174.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 mmm-85 -56.01 -43.88 78.13 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 120.012 1.278 . . . . 0.0 109.825 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.511 ' HE ' ' CG ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -52.35 -46.48 66.12 Favored 'General case' 0 C--N 1.364 1.232 0 CA-C-O 115.825 -2.036 . . . . 0.0 113.377 175.865 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -70.07 -37.73 75.56 Favored 'General case' 0 C--N 1.402 2.861 0 C-N-CA 126.001 1.72 . . . . 0.0 114.335 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -77.09 -31.32 55.87 Favored 'General case' 0 C--N 1.384 2.095 0 O-C-N 121.251 -0.906 . . . . 0.0 112.005 174.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 ttp-105 -82.88 -55.62 4.29 Favored 'General case' 0 C--N 1.376 1.744 0 C-N-CA 126.192 1.797 . . . . 0.0 113.533 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.511 ' CG ' ' HE ' ' B' ' 10' ' ' ARG 0.251 3.5 mm-40 -40.41 -39.41 0.99 Allowed 'General case' 0 C--N 1.392 2.45 0 CA-C-N 122.46 2.391 . . . . 0.0 112.643 179.345 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 ttm-85 -40.07 -31.31 0.12 Allowed 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 127.9 2.48 . . . . 0.0 114.955 172.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.96 -36.81 22.97 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 129.363 3.065 . . . . 0.0 115.373 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 . . . . . 0 C--N 1.359 0.989 1 C-N-CA 131.731 4.013 . . . . 0.0 108.592 -178.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLN . . . . . 0.455 ' OE1' ' HD3' ' B' ' 6' ' ' ARG . 56.0 tp60 . . . . . 0 N--CA 1.438 -1.048 0 CA-C-O 118.258 -0.877 . . . . 0.52000000000000002 110.837 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.64 -52.2 65.33 Favored 'General case' 0 CA--C 1.601 2.918 0 CA-C-N 121.437 1.926 . . . . 0.52000000000000002 107.008 177.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 85.9 mtm-85 -60.1 -36.85 78.34 Favored 'General case' 0 C--N 1.376 1.727 0 O-C-N 118.65 -2.531 . . . . 0.52000000000000002 113.325 177.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.455 ' HD3' ' OE1' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -62.91 -55.41 26.28 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 130.427 3.491 . . . . 0.52000000000000002 104.876 175.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -48.45 -32.23 7.46 Favored 'General case' 0 C--N 1.366 1.316 0 CA-C-O 115.157 -2.354 . . . . 0.52000000000000002 114.048 172.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -73.3 0.07 Allowed 'General case' 0 C--N 1.39 2.357 0 CA-C-N 121.763 2.074 . . . . 0.52000000000000002 109.712 173.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.447 ' C ' ' H ' ' B' ' 11' ' ' ARG 0.27 0.1 OUTLIER -63.54 -46.86 84.05 Favored 'General case' 0 C--N 1.379 1.871 0 CA-C-O 115.629 -2.129 . . . . 0.52000000000000002 114.555 178.443 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . 0.319 0.0 OUTLIER -64.71 38.54 0.02 OUTLIER 'General case' 0 CA--C 1.585 2.317 0 C-N-CA 130.034 3.334 . . . . 0.52000000000000002 110.981 176.629 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.447 ' H ' ' C ' ' B' ' 9' ' ' ARG . 60.9 mtt-85 -159.84 -74.91 0.07 Allowed 'General case' 0 C--N 1.361 1.1 1 C-N-CA 134.366 5.066 . . . . 0.52000000000000002 106.282 179.254 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 12' ' ' TRP . . . . . . . . . . . . 0.293 57.4 m95 -68.6 -18.83 64.4 Favored 'General case' 0 C--N 1.373 1.612 0 N-CA-C 118.595 2.813 . . . . 0.52000000000000002 118.595 -178.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -95.78 -15.59 22.46 Favored 'General case' 0 CA--C 1.569 1.675 0 C-N-CA 128.281 2.633 . . . . 0.52000000000000002 111.792 173.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.425 ' OE1' ' NH1' ' B' ' 17' ' ' ARG . 23.3 mm-40 -66.79 -27.83 67.89 Favored 'General case' 0 C--N 1.367 1.345 0 C-N-CA 129.472 3.109 . . . . 0.52000000000000002 112.698 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.98 -10.47 9.86 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 128.445 2.698 . . . . 0.52000000000000002 111.851 173.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -111.48 -67.32 1.01 Allowed 'General case' 0 C--N 1.37 1.46 0 C-N-CA 131.011 3.724 . . . . 0.52000000000000002 106.978 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.425 ' NH1' ' OE1' ' B' ' 14' ' ' GLU . 34.7 ttt-85 . . . . . 0 CA--C 1.565 1.546 0 C-N-CA 127.937 2.495 . . . . 0.52000000000000002 109.704 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . 0.371 2.8 mm-40 . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.99 -53.16 4.91 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 127.704 2.402 . . . . 0.0 111.983 173.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 32.0 mtm105 -75.92 -40.34 54.41 Favored 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 129.776 3.231 . . . . 0.0 111.165 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -57.17 -37.62 72.37 Favored 'General case' 0 C--N 1.381 1.94 0 C-N-CA 128.096 2.558 . . . . 0.0 108.798 173.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . 0.277 35.0 m-20 -65.71 -51.74 56.91 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 130.697 3.599 . . . . 0.0 107.579 174.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -57.33 -55.48 34.29 Favored 'General case' 0 C--N 1.392 2.429 0 CA-C-N 122.44 2.382 . . . . 0.0 109.951 172.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.49 29.4 0.1 Allowed 'General case' 0 C--N 1.364 1.2 0 N-CA-C 117.93 2.567 . . . . 0.0 117.93 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.503 ' O ' ' HG2' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -125.15 -77.46 0.59 Allowed 'General case' 0 C--N 1.355 0.845 0 C-N-CA 130.763 3.625 . . . . 0.0 101.616 174.028 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . 0.271 43.4 mtt-85 -48.98 -35.98 16.5 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 117.11 2.263 . . . . 0.0 117.11 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -100.94 15.09 29.75 Favored 'General case' 0 CA--C 1.58 2.118 0 C-N-CA 126.236 1.815 . . . . 0.0 112.029 174.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -123.88 -39.14 2.42 Favored 'General case' 0 C--N 1.373 1.62 0 C-N-CA 127.423 2.289 . . . . 0.0 112.698 -176.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' B' ' 10' ' ' ARG . 6.3 mm-40 -57.18 -12.35 2.22 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 128.251 2.62 . . . . 0.0 113.433 177.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . 0.255 94.5 mtt180 -87.4 -5.28 58.92 Favored 'General case' 0 CA--C 1.598 2.811 1 C-N-CA 132.657 4.383 . . . . 0.0 113.806 177.717 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -105.71 -61.42 1.5 Allowed 'General case' 0 C--N 1.373 1.629 1 C-N-CA 134.067 4.947 . . . . 0.0 108.585 177.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? . . . . . 0 C--N 1.385 2.132 0 C-N-CA 126.661 1.985 . . . . 0.0 109.036 179.869 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.44 -0.955 0 CA-C-O 116.426 -1.749 . . . . 0.37 113.204 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.28 -51.64 11.6 Favored 'General case' 0 C--N 1.386 2.18 0 CA-C-N 120.81 1.641 . . . . 0.37 109.318 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -49.0 -51.25 31.76 Favored 'General case' 0 C--N 1.381 1.967 0 C-N-CA 128.933 2.893 . . . . 0.37 105.331 171.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -0.57 0.59 Allowed 'General case' 0 C--N 1.386 2.164 0 N-CA-C 117.051 2.241 . . . . 0.37 117.051 176.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -122.93 -44.15 2.2 Favored 'General case' 0 CA--C 1.559 1.307 0 O-C-N 118.795 -2.44 . . . . 0.37 111.931 174.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -63.01 1.32 Allowed 'General case' 0 C--N 1.377 1.783 0 C-N-CA 125.61 1.564 . . . . 0.37 111.692 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -51.14 71.23 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 125.61 1.564 . . . . 0.37 108.855 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.452 ' HA ' ' HB3' ' B' ' 13' ' ' ARG . 1.1 tmm_? -46.25 -60.9 2.03 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 129.615 3.166 . . . . 0.37 114.666 176.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.449 HH11 ' HB3' ' B' ' 11' ' ' ARG 0.396 0.0 OUTLIER -54.75 -43.42 72.69 Favored 'General case' 0 C--N 1.379 1.887 0 CA-C-N 123.349 2.795 . . . . 0.37 113.265 -178.575 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' B' B ' 12' ' ' TRP . . . . . . . . . . . . 0.279 8.3 t-105 -68.42 -47.76 66.39 Favored 'General case' 0 C--N 1.379 1.855 0 CA-C-N 120.754 1.616 . . . . 0.37 110.73 171.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.452 ' HB3' ' HA ' ' B' ' 10' ' ' ARG . 8.9 ttp180 -52.34 -55.32 22.32 Favored 'General case' 0 C--N 1.389 2.305 1 C-N-CA 133.299 4.639 . . . . 0.37 115.782 178.171 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.419 ' OE1' ' NE ' ' B' ' 17' ' ' ARG 0.298 67.3 mm-40 -44.72 -38.48 4.44 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 126.76 2.024 . . . . 0.37 112.779 179.704 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 77.8 mtm-85 -56.98 -21.68 32.37 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 127.951 2.5 . . . . 0.37 114.464 173.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -89.01 -54.65 4.02 Favored 'General case' 0 C--N 1.372 1.546 0 C-N-CA 127.393 2.277 . . . . 0.37 108.272 173.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.419 ' NE ' ' OE1' ' B' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.378 1.814 1 C-N-CA 133.358 4.663 . . . . 0.37 104.503 177.405 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.445 -0.689 0 N-CA-C 115.07 1.507 . . . . 0.27000000000000002 115.07 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.77 -75.76 0.19 Allowed 'General case' 0 C--N 1.359 1.004 0 N-CA-C 105.305 -2.109 . . . . 0.27000000000000002 105.305 171.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -26.64 -51.12 0.05 OUTLIER 'General case' 0 C--N 1.382 1.989 1 C-N-CA 132.443 4.297 . . . . 0.27000000000000002 114.32 174.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . 0.283 3.9 tpm_? -48.32 -38.65 19.58 Favored 'General case' 0 C--N 1.376 1.722 1 C-N-CA 134.896 5.278 . . . . 0.27000000000000002 115.017 173.451 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -97.71 -42.42 7.63 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 131.119 3.768 . . . . 0.27000000000000002 107.879 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -46.71 82.68 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 122.282 2.31 . . . . 0.27000000000000002 114.908 178.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.77 -23.71 64.34 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 119.176 -2.203 . . . . 0.27000000000000002 111.146 176.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' B' ' 14' ' ' GLU . 4.1 tmm_? -65.75 -65.39 0.68 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 127.639 2.375 . . . . 0.27000000000000002 110.525 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.47 -31.45 64.02 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 124.329 1.052 . . . . 0.27000000000000002 113.408 178.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -82.93 -36.02 25.57 Favored 'General case' 0 CA--C 1.554 1.111 0 O-C-N 119.398 -2.064 . . . . 0.27000000000000002 110.492 175.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . 0.445 0.1 OUTLIER -62.38 -48.57 79.16 Favored 'General case' 0 C--N 1.387 2.203 0 O-C-N 118.814 -2.429 . . . . 0.27000000000000002 110.546 177.156 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.45 ' CD ' HH21 ' B' ' 17' ' ' ARG . 0.9 OUTLIER -34.88 -42.18 0.15 Allowed 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 127.156 2.182 . . . . 0.27000000000000002 114.159 174.845 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -38.89 78.37 Favored 'General case' 0 C--N 1.372 1.557 0 C-N-CA 126.796 2.039 . . . . 0.27000000000000002 114.039 176.22 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . 0.251 0.0 OUTLIER -89.2 -43.03 11.3 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 126.721 2.008 . . . . 0.27000000000000002 109.757 172.833 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.45 HH21 ' CD ' ' B' ' 14' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.373 1.591 0 C-N-CA 129.955 3.302 . . . . 0.27000000000000002 105.263 176.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.604 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.64 -49.65 10.97 Favored 'General case' 0 C--N 1.365 1.252 0 C-N-CA 124.929 1.291 . . . . 0.0 108.08 174.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.86 -48.33 31.14 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 130.417 3.487 . . . . 0.0 111.2 175.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -52.74 -34.15 51.42 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 129.046 2.938 . . . . 0.0 112.384 173.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . 0.264 34.8 m-80 -92.49 -42.72 9.56 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 127.15 2.18 . . . . 0.0 111.771 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -53.55 -48.03 69.49 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 121.237 1.835 . . . . 0.0 109.279 173.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -51.74 68.66 Favored 'General case' 0 C--N 1.392 2.416 0 CA-C-N 121.659 2.027 . . . . 0.0 112.167 173.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -51.27 -37.9 49.79 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-O 116.963 -1.494 . . . . 0.0 110.455 177.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.408 ' HA ' ' HB2' ' B' ' 14' ' ' GLU 0.442 0.0 OUTLIER -70.45 -49.86 44.3 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 127.158 2.183 . . . . 0.0 113.448 176.788 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' B' B ' 12' ' ' TRP . . . . . . . . . . . . 0.331 57.3 m95 -58.25 -29.25 65.61 Favored 'General case' 0 CA--C 1.58 2.105 0 CA-C-N 122.287 2.312 . . . . 0.0 111.209 173.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -73.73 -60.29 2.32 Favored 'General case' 0 C--N 1.388 2.242 0 C-N-CA 126.83 2.052 . . . . 0.0 107.884 170.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.408 ' HB2' ' HA ' ' B' ' 11' ' ' ARG . 2.7 mt-10 -36.97 -47.24 0.69 Allowed 'General case' 0 C--N 1.394 2.543 0 C-N-CA 128.753 2.821 . . . . 0.0 111.11 176.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -44.06 -40.6 4.96 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 129.369 3.068 . . . . 0.0 113.405 174.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -76.98 -17.65 58.74 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 125.878 1.671 . . . . 0.0 114.193 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 26.9 mtm105 . . . . . 0 C--N 1.381 1.96 0 C-N-CA 126.75 2.02 . . . . 0.0 111.364 179.688 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 . . . . . 0 C--O 1.22 -0.488 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.54 -44.09 68.91 Favored 'General case' 0 CA--C 1.592 2.579 0 CA-C-O 125.105 2.383 . . . . 0.0 111.125 176.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 69.6 mtm-85 -70.46 -25.93 63.4 Favored 'General case' 0 C--N 1.389 2.307 0 C-N-CA 127.884 2.474 . . . . 0.0 109.773 175.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -73.27 -69.61 0.41 Allowed 'General case' 0 C--O 1.197 -1.685 0 C-N-CA 129.845 3.258 . . . . 0.0 103.137 172.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . 0.481 45.7 m-20 -37.22 -56.81 0.92 Allowed 'General case' 0 C--N 1.362 1.133 0 CA-C-N 124.855 3.48 . . . . 0.0 116.551 -178.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.411 ' HB2' ' CZ ' ' B' ' 8' ' ' ARG . 8.1 ttm105 -49.8 -54.5 18.85 Favored 'General case' 0 C--N 1.384 2.069 0 CA-C-N 119.429 1.013 . . . . 0.0 109.575 172.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -67.62 -49.8 61.23 Favored 'General case' 0 C--O 1.205 -1.283 0 C-N-CA 130.578 3.551 . . . . 0.0 115.514 176.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.404 HH12 ' CD ' ' B' ' 14' ' ' GLU 0.285 0.0 OUTLIER -64.23 45.88 0.02 OUTLIER 'General case' 0 CA--C 1.565 1.529 1 C-N-CA 133.861 4.865 . . . . 0.0 107.101 176.087 . . . . . . . . 5 4 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.52 -77.66 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.566 1 C-N-CA 134.186 4.994 . . . . 0.0 101.982 -172.248 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 12' ' ' TRP . . . . . . . . . . . . 0.331 92.9 m95 -55.71 -26.04 43.17 Favored 'General case' 0 C--N 1.382 2.018 0 O-C-N 118.595 -2.566 . . . . 0.0 117.119 178.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 ttt85 -63.62 -61.73 2.13 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 128.066 2.546 . . . . 0.0 104.196 174.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.497 ' H ' ' CD ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -33.69 -49.2 0.3 Allowed 'General case' 0 N--CA 1.498 1.95 1 C-N-CA 131.905 4.082 . . . . 0.0 114.51 178.241 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -64.12 -11.2 27.92 Favored 'General case' 0 CA--C 1.566 1.594 0 C-N-CA 125.628 1.571 . . . . 0.0 114.351 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.44 -38.3 0.84 Allowed 'General case' 0 CA--C 1.57 1.745 0 C-N-CA 130.948 3.699 . . . . 0.0 114.193 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 38.3 ttt-85 . . . . . 0 C--N 1.363 1.194 1 C-N-CA 134.064 4.945 . . . . 0.0 110.384 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.469 3.283 1 C3'-C2'-C1' 105.885 4.873 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.632 " H2'" ' C6 ' ' A' ' 3' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.569 4.548 3 P-O5'-C5' 140.125 12.016 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.632 ' C6 ' " H2'" ' A' ' 2' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.57 4.595 1 P-O5'-C5' 135.89 9.368 . 0.292 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . 0.632 " H2'" ' C8 ' ' A' ' 5' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.496 -3.248 1 P-O5'-C5' 131.389 6.556 OUTLIER-EPSILON 0.582 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . 0.632 ' C8 ' " H2'" ' A' ' 4' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.579 5.291 5 P-O3'-C3' 140.294 17.162 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.558 3.041 4 P-O5'-C5' 145.141 15.15 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.472 3.476 2 C2'-C3'-O3' 122.665 4.166 OUTLIER-EPSILON 0.206 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ' C' . . . . . 0.581 " H2'" ' C6 ' ' A' ' 9' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.562 3.99 2 P-O3'-C3' 135.981 13.567 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ' U' . . . . . 0.581 ' C6 ' " H2'" ' A' ' 8' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.552 3.208 5 P-O5'-C5' 146.364 15.915 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ' C' . . . . . 0.435 ' C5 ' ' C4 ' ' A' ' 9' ' ' ' U' . . . . . . . . 1 P--O5' 1.634 4.054 2 P-O3'-C3' 138.846 15.955 . 0.362 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.475 3.691 4 P-O5'-C5' 145.163 15.164 OUTLIER-EPSILON 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.573 4.832 4 P-O3'-C3' 139.742 16.702 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.658 6.516 2 P-O5'-C5' 131.783 6.802 . 0.422 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.43 " H3'" ' C5 ' ' A' ' 15' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.486 -3.497 4 P-O5'-C5' 132.958 7.536 OUTLIER-EPSILON 0.273 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ' U' . . . . . 0.43 ' C5 ' " H3'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.49 3.12 2 P-O3'-C3' 138.212 15.426 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.467 3.163 0 O4'-C1'-N19 111.739 3.539 . 0.232 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.495 5.163 2 P-O3'-C3' 135.064 12.803 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ' G' . . . . . 0.444 ' N1 ' ' C5 ' ' A' ' 19' ' ' ' G' . . . . . . . . 3 P--O5' 1.662 6.884 3 P-O3'-C3' 138.248 15.457 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ' G' . . . . . 0.745 " H2'" ' C6 ' ' A' ' 20' ' ' ' U' . . . . . . . . 0 O3'--C3' 1.474 3.648 2 P-O5'-C5' 141.617 12.948 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . 0.745 ' C6 ' " H2'" ' A' ' 19' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.736 3 P-O3'-C3' 130.255 8.796 . 0.292 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ' A' . . . . . 0.583 " H2'" ' C6 ' ' A' ' 22' ' ' ' C' . . . . . . . . 2 P--O5' 1.652 5.919 3 P-O5'-C5' 138.069 10.731 . 0.663 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . 0.583 ' C6 ' " H2'" ' A' ' 21' ' ' ' A' . . . . . . . . 2 C5'--C4' 1.597 6.685 3 P-O5'-C5' 134.488 8.493 . 0.67 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ' U' . . . . . 0.691 ' C4 ' ' HD2' ' B' ' 6' ' ' ARG . . . . . . . . 0 C4'--C3' 1.554 2.753 2 P-O3'-C3' 137.365 14.721 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.554 2.605 6 P-O3'-C3' 140.418 17.265 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . 0.438 ' N7 ' ' C2 ' ' A' ' 23' ' ' ' U' . . . . . . . . 3 P--O5' 1.659 6.617 3 P-O5'-C5' 139.526 11.642 . 0.01 5j . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ' A' . . . . . 0.404 ' OP2' ' NH1' ' B' ' 13' ' ' ARG . . . . . . . . 1 C5'--C4' 1.57 4.595 2 P-O3'-C3' 133.743 11.703 . 0.497 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ' G' . . . . . 0.426 " H3'" " H2'" ' A' ' 28' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.551 3.189 3 P-O3'-C3' 136.051 13.626 . 0.617 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ' A' . . . . . 0.439 ' C2 ' ' C5 ' ' A' ' 30' ' ' ' A' . . . . . . . . 1 P--O5' 1.636 4.254 0 P-O5'-C5' 127.018 3.823 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.643 5.047 3 P-O3'-C3' 140.561 17.384 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ' A' . . . . . 0.491 ' H61' HD21 ' B' ' 7' ' ' ASN . . . . . . . . 2 C5'--C4' 1.579 5.281 7 P-O3'-C3' 138.543 15.702 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.097 2 N19-C1'-C2' 121.553 5.096 . 0.022 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ' A' . . . . . 0.421 ' C5 ' ' N7 ' ' A' ' 33' ' ' ' G' . . . . . . . . 2 C5'--C4' 1.586 5.885 4 P-O5'-C5' 131.056 6.347 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ' G' . . . . . 0.597 ' C5 ' ' C5 ' ' A' ' 34' ' ' ' C' . . . . . . . . 0 C2'--O2' 1.444 2.375 1 N19-C1'-C2' 123.508 6.318 . 0.614 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ' C' . . . . . 0.597 ' C5 ' ' C5 ' ' A' ' 33' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.564 3.633 5 P-O3'-C3' 139.487 16.489 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.644 5.137 4 O4'-C1'-N19 116.562 8.362 . 0.205 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' THR . . . . . . . . . . . . 0.251 5.7 t . . . . . 0 N--CA 1.536 3.854 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.406 HH21 " H2'" ' A' ' 22' ' ' ' C' . 51.0 ttt-85 -74.44 -27.84 60.78 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 129.576 3.15 . . . . 0.0 109.165 177.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . 0.335 1.9 mp0 -62.34 -4.67 1.94 Allowed 'General case' 0 C--N 1.389 2.286 0 C-N-CA 125.889 1.676 . . . . 0.0 113.41 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.624 ' HA ' " H2'" ' A' ' 5' ' ' ' G' . . . -80.56 -56.98 3.8 Favored 'General case' 0 C--N 1.385 2.152 0 C-N-CA 126.088 1.755 . . . . 0.0 106.914 175.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.424 ' NH1' ' OP2' ' A' ' 23' ' ' ' U' . 68.4 mtm180 -54.33 -43.61 71.35 Favored 'General case' 0 C--N 1.367 1.342 0 CA-C-O 116.712 -1.613 . . . . 0.0 107.887 170.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.691 ' HD2' ' C4 ' ' A' ' 23' ' ' ' U' . 0.0 OUTLIER -69.04 18.12 0.04 OUTLIER 'General case' 0 C--N 1.39 2.334 0 N-CA-C 117.631 2.456 . . . . 0.0 117.631 172.224 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ASN . . . . . 0.491 HD21 ' H61' ' A' ' 30' ' ' ' A' 0.259 45.0 m-80 -143.92 -37.04 0.33 Allowed 'General case' 0 CA--C 1.566 1.574 0 C-N-CA 128.913 2.885 . . . . 0.0 112.102 176.195 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -80.36 -69.45 0.59 Allowed 'General case' 0 C--N 1.359 0.989 0 C-N-CA 128.629 2.772 . . . . 0.0 107.639 174.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 mmm-85 -56.01 -43.88 78.13 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 120.012 1.278 . . . . 0.0 109.825 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.511 ' HE ' ' CG ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -52.35 -46.48 66.12 Favored 'General case' 0 C--N 1.364 1.232 0 CA-C-O 115.825 -2.036 . . . . 0.0 113.377 175.865 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -70.07 -37.73 75.56 Favored 'General case' 0 C--N 1.402 2.861 0 C-N-CA 126.001 1.72 . . . . 0.0 114.335 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -77.09 -31.32 55.87 Favored 'General case' 0 C--N 1.384 2.095 0 O-C-N 121.251 -0.906 . . . . 0.0 112.005 174.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.404 ' NH1' ' OP2' ' A' ' 26' ' ' ' A' . 6.5 ttp-105 -82.88 -55.62 4.29 Favored 'General case' 0 C--N 1.376 1.744 0 C-N-CA 126.192 1.797 . . . . 0.0 113.533 -178.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.511 ' CG ' ' HE ' ' B' ' 10' ' ' ARG 0.251 3.5 mm-40 -40.41 -39.41 0.99 Allowed 'General case' 0 C--N 1.392 2.45 0 CA-C-N 122.46 2.391 . . . . 0.0 112.643 179.345 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 ttm-85 -40.07 -31.31 0.12 Allowed 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 127.9 2.48 . . . . 0.0 114.955 172.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.96 -36.81 22.97 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 129.363 3.065 . . . . 0.0 115.373 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 . . . . . 0 C--N 1.359 0.989 1 C-N-CA 131.731 4.013 . . . . 0.0 108.592 -178.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . 0.414 " H1'" ' N7 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.891 3 O4'-C1'-N19 120.872 12.672 OUTLIER-DELTA 0.0 '__' . 0.52000000000000002 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.414 ' N7 ' " H1'" ' A' ' 1' ' ' ' G' . . . . . . . . 0 P--O5' 1.628 3.514 3 P-O3'-C3' 139.336 16.363 . 0.0 OUTLIER . 0.52000000000000002 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.435 ' OP1' ' NH2' ' B' ' 15' ' ' ARG . . . . . . . . 0 O3'--C3' 1.473 3.563 3 P-O3'-C3' 130.937 9.364 . 0.729 1a . 0.52000000000000002 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . 0.722 " H2'" ' C8 ' ' A' ' 5' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.557 3.601 3 P-O5'-C5' 145.506 15.378 OUTLIER-EPSILON 0.0 OUTLIER . 0.52000000000000002 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . 0.722 ' C8 ' " H2'" ' A' ' 4' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.485 -3.541 5 P-O3'-C3' 140.261 17.134 . 0.0 OUTLIER epsilon-1 0.52000000000000002 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.565 4.23 4 P-O5'-C5' 139.337 11.523 . 0.01 4a . 0.52000000000000002 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.627 2 P-O3'-C3' 125.754 5.045 OUTLIER-EPSILON 0.182 1c . 0.52000000000000002 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ' C' . . . . . 0.724 " H2'" ' C6 ' ' A' ' 9' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.49 -3.097 4 P-O3'-C3' 141.15 17.875 . 0.0 OUTLIER epsilon-1 0.52000000000000002 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ' U' . . . . . 0.724 ' C6 ' " H2'" ' A' ' 8' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.052 5 P-O5'-C5' 138.47 10.981 . 0.0 OUTLIER . 0.52000000000000002 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.642 4.949 3 P-O3'-C3' 133.604 11.586 . 0.0 OUTLIER . 0.52000000000000002 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . 0.56 " H2'" ' C6 ' ' A' ' 12' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.551 3.146 1 P-O5'-C5' 134.822 8.701 . 0.0 OUTLIER alpha 0.52000000000000002 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . 0.56 ' C6 ' " H2'" ' A' ' 11' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.562 3.977 4 P-O3'-C3' 149.44 24.783 . 0.583 1a . 0.52000000000000002 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . 0.555 ' C8 ' " H2'" ' A' ' 12' ' ' ' U' . . . . . . . . 2 P--O5' 1.652 5.899 3 P-O3'-C3' 133.289 11.324 . 0.01 1a . 0.52000000000000002 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.463 " H3'" ' C5 ' ' A' ' 15' ' ' ' U' . . . . . . . . 1 C4'--C3' 1.479 -4.097 3 P-O5'-C5' 134.112 8.257 OUTLIER-EPSILON 0.291 1a . 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ' U' . . . . . 0.463 ' C5 ' " H3'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 P--O5' 1.627 3.383 4 P-O3'-C3' 135.299 12.999 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.566 4.286 3 P-O3'-C3' 128.326 7.189 . 0.017 1z . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.469 3.26 4 P-O3'-C3' 141.039 17.782 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ' G' . . . . . 0.599 " H2'" " O4'" ' A' ' 19' ' ' ' G' . . . . . . . . 3 P--O5' 1.649 5.565 4 P-O5'-C5' 143.583 14.177 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ' G' . . . . . 0.638 " H2'" ' C6 ' ' A' ' 20' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.566 3.685 4 P-O3'-C3' 135.712 13.344 . 0.102 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . 0.638 ' C6 ' " H2'" ' A' ' 19' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.569 4.561 2 P-O5'-C5' 136.567 9.792 . 0.159 1a . 0.52000000000000002 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ' A' . . . . . 0.787 " H2'" ' C6 ' ' A' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.633 3.964 3 P-O3'-C3' 125.527 4.856 . 0.734 1a . 0.52000000000000002 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . 0.787 ' C6 ' " H2'" ' A' ' 21' ' ' ' A' . . . . . . . . 3 C5'--C4' 1.595 6.524 4 O5'-C5'-C4' 119.618 6.727 . 0.695 1a . 0.52000000000000002 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ' U' . . . . . 0.612 ' C4 ' ' HD2' ' B' ' 6' ' ' ARG . . . . . . . . 0 P--O3' 1.638 2.547 3 P-O5'-C5' 131.245 6.466 OUTLIER-DELTA 0.0 OUTLIER delta 0.52000000000000002 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . 0.426 ' OP1' ' NH2' ' B' ' 9' ' ' ARG . . . . . . . . 0 P--O5' 1.624 3.062 3 P-O5'-C5' 136.5 9.75 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.52000000000000002 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.418 3 P-O3'-C3' 127.961 6.884 . 0.0 OUTLIER '7D dist 6j' 0.52000000000000002 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ' A' . . . . . 0.449 " H2'" ' C8 ' ' A' ' 27' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.562 4.03 3 P-O3'-C3' 126.787 5.906 . 0.701 1a . 0.52000000000000002 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ' G' . . . . . 0.449 ' C8 ' " H2'" ' A' ' 26' ' ' ' A' . . . . . . . . 1 C5'--C4' 1.584 5.717 5 P-O5'-C5' 142.08 13.238 . 0.479 1a . 0.52000000000000002 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.467 4.393 2 P-O3'-C3' 134.186 12.072 OUTLIER-EPSILON 0.0 OUTLIER . 0.52000000000000002 . . . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.456 3.315 2 P-O3'-C3' 138.525 15.688 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.52000000000000002 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.562 -3.726 3 P-O3'-C3' 142.002 18.585 . 0.0 OUTLIER epsilon-1 0.52000000000000002 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.664 7.132 4 O5'-C5'-C4' 119.465 6.618 . 0.0 OUTLIER '7D dist 1c' 0.52000000000000002 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.571 4.667 4 P-O3'-C3' 136.583 14.069 . 0.0 OUTLIER '7D dist 1c' 0.52000000000000002 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ' G' . . . . . 0.426 ' C4 ' ' C5 ' ' A' ' 34' ' ' ' C' . . . . . . . . 2 C5'--C4' 1.581 5.439 3 P-O5'-C5' 131.71 6.756 . 0.627 1a . 0.52000000000000002 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ' C' . . . . . 0.426 ' C5 ' ' C4 ' ' A' ' 33' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.552 3.248 2 P-O5'-C5' 131.671 6.732 . 0.01 1m . 0.52000000000000002 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.643 4.968 4 P-O3'-C3' 133.586 11.572 . 0.097 1a . 0.52000000000000002 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.535 3.801 0 CA-C-O 123.061 1.41 . . . . 0.52000000000000002 109.521 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.45 ' CZ ' ' C4 ' ' A' ' 23' ' ' ' U' . 16.4 ttp85 -57.73 -38.04 74.61 Favored 'General case' 0 CA--C 1.579 2.064 0 O-C-N 118.313 -2.742 . . . . 0.52000000000000002 108.252 166.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.455 ' OE1' ' HD3' ' B' ' 6' ' ' ARG . 56.0 tp60 -61.55 -29.92 70.32 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 128.867 2.867 . . . . 0.52000000000000002 110.837 174.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.43 ' HB1' ' OP2' ' A' ' 5' ' ' ' G' . . . -61.64 -52.2 65.33 Favored 'General case' 0 CA--C 1.601 2.918 0 CA-C-N 121.437 1.926 . . . . 0.52000000000000002 107.008 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.497 HH21 ' P ' ' A' ' 23' ' ' ' U' . 85.9 mtm-85 -60.1 -36.85 78.34 Favored 'General case' 0 C--N 1.376 1.727 0 O-C-N 118.65 -2.531 . . . . 0.52000000000000002 113.325 177.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.612 ' HD2' ' C4 ' ' A' ' 23' ' ' ' U' . 0.0 OUTLIER -62.91 -55.41 26.28 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 130.427 3.491 . . . . 0.52000000000000002 104.876 175.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -48.45 -32.23 7.46 Favored 'General case' 0 C--N 1.366 1.316 0 CA-C-O 115.157 -2.354 . . . . 0.52000000000000002 114.048 172.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -73.3 0.07 Allowed 'General case' 0 C--N 1.39 2.357 0 CA-C-N 121.763 2.074 . . . . 0.52000000000000002 109.712 173.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.447 ' C ' ' H ' ' B' ' 11' ' ' ARG 0.27 0.1 OUTLIER -63.54 -46.86 84.05 Favored 'General case' 0 C--N 1.379 1.871 0 CA-C-O 115.629 -2.129 . . . . 0.52000000000000002 114.555 178.443 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . 0.319 0.0 OUTLIER -64.71 38.54 0.02 OUTLIER 'General case' 0 CA--C 1.585 2.317 0 C-N-CA 130.034 3.334 . . . . 0.52000000000000002 110.981 176.629 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.447 ' H ' ' C ' ' B' ' 9' ' ' ARG . 60.9 mtt-85 -159.84 -74.91 0.07 Allowed 'General case' 0 C--N 1.361 1.1 1 C-N-CA 134.366 5.066 . . . . 0.52000000000000002 106.282 179.254 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 12' ' ' TRP . . . . . . . . . . . . 0.293 57.4 m95 -68.6 -18.83 64.4 Favored 'General case' 0 C--N 1.373 1.612 0 N-CA-C 118.595 2.813 . . . . 0.52000000000000002 118.595 -178.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -95.78 -15.59 22.46 Favored 'General case' 0 CA--C 1.569 1.675 0 C-N-CA 128.281 2.633 . . . . 0.52000000000000002 111.792 173.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.425 ' OE1' ' NH1' ' B' ' 17' ' ' ARG . 23.3 mm-40 -66.79 -27.83 67.89 Favored 'General case' 0 C--N 1.367 1.345 0 C-N-CA 129.472 3.109 . . . . 0.52000000000000002 112.698 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.435 ' NH2' ' OP1' ' A' ' 3' ' ' ' C' . 0.6 OUTLIER -61.98 -10.47 9.86 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 128.445 2.698 . . . . 0.52000000000000002 111.851 173.425 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -111.48 -67.32 1.01 Allowed 'General case' 0 C--N 1.37 1.46 0 C-N-CA 131.011 3.724 . . . . 0.52000000000000002 106.978 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.425 ' NH1' ' OE1' ' B' ' 14' ' ' GLU . 34.7 ttt-85 . . . . . 0 CA--C 1.565 1.546 0 C-N-CA 127.937 2.495 . . . . 0.52000000000000002 109.704 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.461 2.715 2 C3'-C2'-C1' 106.109 5.121 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.464 " H2'" ' C6 ' ' A' ' 3' ' ' ' C' . . . . . . . . 3 P--O5' 1.656 6.314 5 O5'-C5'-C4' 120.131 7.094 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.577 " H2'" ' C6 ' ' A' ' 4' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.556 3.563 2 P-O5'-C5' 140.667 12.354 . 0.113 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . 0.577 ' C6 ' " H2'" ' A' ' 3' ' ' ' C' . . . . . . . . 1 P--O5' 1.634 4.135 3 P-O5'-C5' 154.793 21.183 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . 0.598 HO2' ' H8 ' ' A' ' 6' ' ' ' G' . . . . . . . . 2 P--O5' 1.657 6.366 4 P-O3'-C3' 135.531 13.193 . 0.154 1t . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.598 ' H8 ' HO2' ' A' ' 5' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.465 2.968 4 P-O3'-C3' 135.597 13.248 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ' A' . . . . . 0.414 ' H62' ' HG3' ' B' ' 3' ' ' GLN . . . . . . . . 1 C5'--C4' 1.567 4.398 2 P-O5'-C5' 135.19 8.931 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ' C' . . . . . 0.424 ' C4 ' ' C4 ' ' A' ' 9' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.442 4 P-O5'-C5' 135.509 9.13 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ' U' . . . . . 0.424 ' C4 ' ' C4 ' ' A' ' 8' ' ' ' C' . . . . . . . . 2 C5'--C4' 1.574 4.891 6 P-O3'-C3' 147.512 23.177 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.573 4.873 2 P-O3'-C3' 138.746 15.871 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.465 2.987 2 P-O3'-C3' 137.614 14.929 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.572 4.743 2 P-O5'-C5' 129.868 5.605 . 0.393 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . 0.613 " H2'" ' C6 ' ' A' ' 14' ' ' ' C' . . . . . . . . 2 P--O5' 1.667 7.447 3 O5'-C5'-C4' 119.59 6.707 . 0.908 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.613 ' C6 ' " H2'" ' A' ' 13' ' ' ' A' . . . . . . . . 0 C2'--C1' 1.492 -3.593 3 O4'-C1'-N19 118.357 10.157 OUTLIER-EPSILON 0.151 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ' U' . . . . . 0.427 ' C6 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.067 4 P-O3'-C3' 133.248 11.29 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.485 -3.681 6 P-O3'-C3' 133.105 11.171 . 0.01 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.49 -3.85 2 C4'-C3'-C2' 107.7 5.0 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ' G' . . . . . 0.471 ' C2 ' ' C5 ' ' A' ' 19' ' ' ' G' . . . . . . . . 3 P--O5' 1.679 8.557 4 P-O3'-C3' 141.586 18.238 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ' G' . . . . . 0.708 " H2'" ' C6 ' ' A' ' 20' ' ' ' U' . . . . . . . . 2 C5'--C4' 1.579 5.274 3 P-O3'-C3' 129.528 8.19 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . 0.708 ' C6 ' " H2'" ' A' ' 19' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.555 3.5 4 P-O3'-C3' 129.955 8.545 . 0.085 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ' A' . . . . . 0.541 " H2'" ' C6 ' ' A' ' 22' ' ' ' C' . . . . . . . . 2 P--O5' 1.672 7.947 3 P-O5'-C5' 132.636 7.335 . 0.536 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . 0.541 ' C6 ' " H2'" ' A' ' 21' ' ' ' A' . . . . . . . . 2 P--O5' 1.668 7.536 3 O5'-C5'-C4' 121.015 7.725 . 0.63 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ' U' . . . . . 0.42 ' OP2' ' NH2' ' B' ' 5' ' ' ARG . . . . . . . . 0 C4'--C3' 1.551 2.477 2 P-O3'-C3' 135.642 13.285 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.508 -1.557 3 P-O3'-C3' 131.733 10.028 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.831 2 P-O3'-C3' 129.386 8.072 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ' A' . . . . . 0.675 " H2'" ' C8 ' ' A' ' 27' ' ' ' G' . . . . . . . . 2 C5'--C4' 1.581 5.49 4 P-O5'-C5' 142.844 13.715 . 0.407 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ' G' . . . . . 0.675 ' C8 ' " H2'" ' A' ' 26' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.558 3.723 2 P-O5'-C5' 141.252 12.72 . 0.351 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.579 5.313 5 P-O3'-C3' 137.401 14.751 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.5 -2.188 2 P-O5'-C5' 138.252 10.845 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.552 -4.59 4 P-O3'-C3' 138.749 15.875 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.567 4.406 3 P-O5'-C5' 132.394 7.184 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ' A' . . . . . 0.541 ' C6 ' ' C6 ' ' A' ' 33' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.55 3.075 1 P-O5'-C5' 142.403 13.44 . 0.28 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ' G' . . . . . 0.541 ' C6 ' ' C6 ' ' A' ' 32' ' ' ' A' . . . . . . . . 0 P--O5' 1.626 3.268 1 P-O3'-C3' 126.876 5.98 . 0.182 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ' C' . . . . . 0.418 ' N4 ' ' C6 ' ' A' ' 33' ' ' ' G' . . . . . . . . 1 P--O5' 1.646 5.258 2 P-O3'-C3' 129.439 8.115 . 0.438 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.649 5.605 2 O4'-C1'-N19 121.199 12.999 . 0.01 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 1 N--CA 1.551 4.606 0 N-CA-C 121.784 3.994 . . . . 0.0 121.784 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 29.9 ttt-85 -75.28 -24.87 57.58 Favored 'General case' 0 C--N 1.389 2.3 0 O-C-N 118.751 -2.468 . . . . 0.0 109.641 176.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.414 ' HG3' ' H62' ' A' ' 7' ' ' ' A' 0.371 2.8 mm-40 -55.01 -29.67 57.84 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 126.521 1.928 . . . . 0.0 114.862 179.833 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.469 ' HA ' " H2'" ' A' ' 5' ' ' ' G' . . . -42.99 -53.16 4.91 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 127.704 2.402 . . . . 0.0 111.983 173.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.42 ' NH2' ' OP2' ' A' ' 23' ' ' ' U' . 32.0 mtm105 -75.92 -40.34 54.41 Favored 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 129.776 3.231 . . . . 0.0 111.165 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.416 ' HD2' ' C4 ' ' A' ' 23' ' ' ' U' . 14.3 ttt85 -57.17 -37.62 72.37 Favored 'General case' 0 C--N 1.381 1.94 0 C-N-CA 128.096 2.558 . . . . 0.0 108.798 173.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . 0.277 35.0 m-20 -65.71 -51.74 56.91 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 130.697 3.599 . . . . 0.0 107.579 174.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -57.33 -55.48 34.29 Favored 'General case' 0 C--N 1.392 2.429 0 CA-C-N 122.44 2.382 . . . . 0.0 109.951 172.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.49 29.4 0.1 Allowed 'General case' 0 C--N 1.364 1.2 0 N-CA-C 117.93 2.567 . . . . 0.0 117.93 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.503 ' O ' ' HG2' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -125.15 -77.46 0.59 Allowed 'General case' 0 C--N 1.355 0.845 0 C-N-CA 130.763 3.625 . . . . 0.0 101.616 174.028 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . 0.271 43.4 mtt-85 -48.98 -35.98 16.5 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 117.11 2.263 . . . . 0.0 117.11 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -100.94 15.09 29.75 Favored 'General case' 0 CA--C 1.58 2.118 0 C-N-CA 126.236 1.815 . . . . 0.0 112.029 174.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.438 HH22 ' P ' ' A' ' 26' ' ' ' A' . 2.3 tmt_? -123.88 -39.14 2.42 Favored 'General case' 0 C--N 1.373 1.62 0 C-N-CA 127.423 2.289 . . . . 0.0 112.698 -176.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' B' ' 10' ' ' ARG . 6.3 mm-40 -57.18 -12.35 2.22 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 128.251 2.62 . . . . 0.0 113.433 177.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . 0.255 94.5 mtt180 -87.4 -5.28 58.92 Favored 'General case' 0 CA--C 1.598 2.811 1 C-N-CA 132.657 4.383 . . . . 0.0 113.806 177.717 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -105.71 -61.42 1.5 Allowed 'General case' 0 C--N 1.373 1.629 1 C-N-CA 134.067 4.947 . . . . 0.0 108.585 177.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? . . . . . 0 C--N 1.385 2.132 0 C-N-CA 126.661 1.985 . . . . 0.0 109.036 179.869 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . 0.425 HO2' ' H8 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.448 1.804 1 O4'-C1'-N19 113.689 5.489 . 0.0 '__' . 0.37 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.425 ' H8 ' HO2' ' A' ' 1' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.554 3.349 2 P-O3'-C3' 133.37 11.392 . 0.0 OUTLIER . 0.37 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.72 " H2'" ' C6 ' ' A' ' 4' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.562 3.969 3 P-O5'-C5' 144.134 14.521 . 0.173 &a . 0.37 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . 0.72 ' C6 ' " H2'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.557 3.652 2 P-O5'-C5' 130.901 6.251 . 0.131 1a . 0.37 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . 0.555 " H2'" ' HA ' ' B' ' 4' ' ' ALA . . . . . . . . 1 C5'--C4' 1.59 6.186 4 P-O3'-C3' 134.254 12.128 . 0.0 OUTLIER . 0.37 . . . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.565 4 P-O3'-C3' 133.98 11.9 . 0.0 OUTLIER '7D dist 4a' 0.37 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.568 4.44 1 P-O5'-C5' 131.962 6.914 . 0.104 1c . 0.37 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ' C' . . . . . 0.419 " H2'" ' C6 ' ' A' ' 9' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.543 2.522 5 P-O5'-C5' 138.74 11.15 OUTLIER-EPSILON 0.319 1a . 0.37 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ' U' . . . . . 0.419 ' C6 ' " H2'" ' A' ' 8' ' ' ' C' . . . . . . . . 2 P--O5' 1.646 5.337 6 P-O3'-C3' 142.663 19.136 . 0.0 OUTLIER epsilon-1 0.37 . . . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ' C' . . . . . 0.428 " H2'" ' C8 ' ' A' ' 11' ' ' ' G' . . . . . . . . 1 P--O5' 1.637 4.413 3 P-O3'-C3' 133.838 11.782 . 0.408 1c . 0.37 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . 0.663 " H2'" ' C6 ' ' A' ' 12' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.548 2.944 2 P-O5'-C5' 138.084 10.74 . 0.117 1a . 0.37 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . 0.663 ' C6 ' " H2'" ' A' ' 11' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.558 3.68 1 P-O3'-C3' 136.415 13.929 . 0.068 1c . 0.37 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . 0.513 ' C2 ' ' N3 ' ' A' ' 21' ' ' ' A' . . . . . . . . 3 P--O5' 1.647 5.367 3 O5'-C5'-C4' 119.416 6.583 . 0.15 1a . 0.37 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.505 ' C5 ' ' C5 ' ' A' ' 13' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.484 -3.643 3 O4'-C1'-N19 114.511 6.311 OUTLIER-EPSILON 0.356 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ' U' . . . . . 0.416 ' C5 ' " H3'" ' A' ' 14' ' ' ' C' . . . . . . . . 1 C2'--C1' 1.487 -4.093 3 P-O3'-C3' 136.667 14.139 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.499 -2.904 2 C5'-C4'-C3' 124.557 6.038 . 0.11 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.472 3.481 2 O4'-C1'-N19 114.114 5.914 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.571 4.695 4 P-O3'-C3' 139.478 16.481 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ' G' . . . . . 0.574 " H2'" ' C6 ' ' A' ' 20' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.556 3.545 2 P-O3'-C3' 135.278 12.981 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . 0.574 ' C6 ' " H2'" ' A' ' 19' ' ' ' G' . . . . . . . . 3 P--O5' 1.649 5.581 2 O5'-C5'-C4' 119.107 6.362 . 0.692 1L . 0.37 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ' A' . . . . . 0.62 ' C4 ' ' C5 ' ' A' ' 22' ' ' ' C' . . . . . . . . 0 P--O3' 1.655 3.968 1 N19-C1'-C2' 124.516 6.948 . 0.409 1a . 0.37 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . 0.62 ' C5 ' ' C4 ' ' A' ' 21' ' ' ' A' . . . . . . . . 1 C5'--C4' 1.563 4.101 1 P-O5'-C5' 143.923 14.389 . 0.822 1a . 0.37 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ' U' . . . . . 0.711 ' C4 ' ' HD2' ' B' ' 6' ' ' ARG . . . . . . . . 0 C2'--O2' 1.432 1.472 4 P-O3'-C3' 132.439 10.616 OUTLIER-DELTA 0.0 OUTLIER gamma 0.37 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . 0.407 ' OP1' ' NH1' ' B' ' 5' ' ' ARG . . . . . . . . 1 C5'--C4' 1.575 4.992 4 P-O3'-C3' 139.107 16.172 . 0.0 OUTLIER . 0.37 . . . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . 0.453 ' C8 ' ' C2 ' ' A' ' 23' ' ' ' U' . . . . . . . . 0 O3'--C3' 1.468 3.222 3 P-O5'-C5' 129.526 5.391 . 0.0 OUTLIER gamma 0.37 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.564 4.171 5 P-O3'-C3' 129.732 8.36 . 0.158 1a . 0.37 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.601 7.02 3 P-O3'-C3' 137.449 14.791 . 0.227 1a . 0.37 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.452 2.106 1 P-O3'-C3' 126.486 5.655 OUTLIER-EPSILON 0.0 OUTLIER . 0.37 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.585 5.46 4 P-O3'-C3' 138.787 15.906 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.37 . . . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ' A' . . . . . 0.573 ' C2 ' " H1'" ' A' ' 31' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.556 3.536 3 P-O3'-C3' 136.226 13.771 . 0.0 OUTLIER epsilon-1 0.37 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ' C' . . . . . 0.573 " H1'" ' C2 ' ' A' ' 30' ' ' ' A' . . . . . . . . 3 P--O5' 1.678 8.465 6 P-O5'-C5' 139.22 11.45 . 0.0 OUTLIER . 0.37 . . . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ' A' . . . . . 0.434 ' H62' ' N4 ' ' A' ' 31' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.557 3.609 3 P-O3'-C3' 131.115 9.512 . 0.0 OUTLIER . 0.37 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ' G' . . . . . 0.534 ' C5 ' ' C5 ' ' A' ' 34' ' ' ' C' . . . . . . . . 0 C2'--O2' 1.447 2.601 1 O5'-C5'-C4' 115.883 4.06 . 0.294 1a . 0.37 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ' C' . . . . . 0.534 ' C5 ' ' C5 ' ' A' ' 33' ' ' ' G' . . . . . . . . 2 O4'--C1' 1.465 4.263 4 P-O3'-C3' 151.377 26.398 . 0.0 OUTLIER . 0.37 . . . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.567 3.865 1 P-O5'-C5' 133.723 8.014 . 0.397 1a . 0.37 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' THR . . . . . 0.677 HG23 ' H ' ' B' ' 3' ' ' GLN . 5.7 t . . . . . 0 N--CA 1.501 2.105 0 CA-C-O 122.064 0.935 . . . . 0.37 109.013 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.45 ' HD3' ' OP2' ' A' ' 22' ' ' ' C' . 52.7 ttp85 -61.54 -27.94 68.97 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.285 -1.509 . . . . 0.37 110.327 173.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.677 ' H ' HG23 ' B' ' 1' ' ' THR . 1.7 mp0 -78.97 -6.48 56.38 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 128.077 2.551 . . . . 0.37 113.204 175.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.555 ' HA ' " H2'" ' A' ' 5' ' ' ' G' . . . -76.28 -51.64 11.6 Favored 'General case' 0 C--N 1.386 2.18 0 CA-C-N 120.81 1.641 . . . . 0.37 109.318 177.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.429 ' NE ' ' OP1' ' A' ' 23' ' ' ' U' . 5.6 mmm180 -49.0 -51.25 31.76 Favored 'General case' 0 C--N 1.381 1.967 0 C-N-CA 128.933 2.893 . . . . 0.37 105.331 171.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.711 ' HD2' ' C4 ' ' A' ' 23' ' ' ' U' . 0.0 OUTLIER -62.35 -0.57 0.59 Allowed 'General case' 0 C--N 1.386 2.164 0 N-CA-C 117.051 2.241 . . . . 0.37 117.051 176.359 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -122.93 -44.15 2.2 Favored 'General case' 0 CA--C 1.559 1.307 0 O-C-N 118.795 -2.44 . . . . 0.37 111.931 174.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.419 ' HB2' ' OP2' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -63.15 -63.01 1.32 Allowed 'General case' 0 C--N 1.377 1.783 0 C-N-CA 125.61 1.564 . . . . 0.37 111.692 178.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -51.14 71.23 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 125.61 1.564 . . . . 0.37 108.855 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.452 ' HA ' ' HB3' ' B' ' 13' ' ' ARG . 1.1 tmm_? -46.25 -60.9 2.03 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 129.615 3.166 . . . . 0.37 114.666 176.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.449 HH11 ' HB3' ' B' ' 11' ' ' ARG 0.396 0.0 OUTLIER -54.75 -43.42 72.69 Favored 'General case' 0 C--N 1.379 1.887 0 CA-C-N 123.349 2.795 . . . . 0.37 113.265 -178.575 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 12' ' ' TRP . . . . . . . . . . . . 0.279 8.3 t-105 -68.42 -47.76 66.39 Favored 'General case' 0 C--N 1.379 1.855 0 CA-C-N 120.754 1.616 . . . . 0.37 110.73 171.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.452 ' HB3' ' HA ' ' B' ' 10' ' ' ARG . 8.9 ttp180 -52.34 -55.32 22.32 Favored 'General case' 0 C--N 1.389 2.305 1 C-N-CA 133.299 4.639 . . . . 0.37 115.782 178.171 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.419 ' OE1' ' NE ' ' B' ' 17' ' ' ARG 0.298 67.3 mm-40 -44.72 -38.48 4.44 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 126.76 2.024 . . . . 0.37 112.779 179.704 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 77.8 mtm-85 -56.98 -21.68 32.37 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 127.951 2.5 . . . . 0.37 114.464 173.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -89.01 -54.65 4.02 Favored 'General case' 0 C--N 1.372 1.546 0 C-N-CA 127.393 2.277 . . . . 0.37 108.272 173.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.419 ' NE ' ' OE1' ' B' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.378 1.814 1 C-N-CA 133.358 4.663 . . . . 0.37 104.503 177.405 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.438 1.957 0 O4'-C4'-C3' 102.312 -2.277 . 0.0 '__' . 0.27000000000000002 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.432 ' OP2' ' NH2' ' B' ' 11' ' ' ARG . . . . . . . . 1 P--O5' 1.645 5.187 3 O5'-C5'-C4' 118.775 6.125 . 0.449 1a . 0.27000000000000002 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.7 " H2'" ' C6 ' ' A' ' 4' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.573 4.842 3 P-O5'-C5' 147.083 16.364 . 0.027 1m . 0.27000000000000002 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . 0.7 ' C6 ' " H2'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 P--O3' 1.647 3.311 4 P-O5'-C5' 130.324 5.89 . 0.099 1a . 0.27000000000000002 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . 0.668 " H2'" ' HA ' ' B' ' 4' ' ' ALA . . . . . . . . 2 C5'--C4' 1.616 8.163 7 P-O5'-C5' 142.93 13.769 . 0.0 OUTLIER '7D dist 1b' 0.27000000000000002 . . . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.578 4.961 6 P-O3'-C3' 136.267 13.806 . 0.166 4n . 0.27000000000000002 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.573 4.82 2 P-O5'-C5' 137.541 10.401 . 0.0 OUTLIER . 0.27000000000000002 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ' C' . . . . . 0.649 " H2'" ' C6 ' ' A' ' 9' ' ' ' U' . . . . . . . . 2 C5'--C4' 1.59 6.167 3 P-O5'-C5' 129.703 5.502 . 0.0 OUTLIER '7D dist 1c' 0.27000000000000002 . . . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ' U' . . . . . 0.649 ' C6 ' " H2'" ' A' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.456 3.495 4 P-O5'-C5' 139.75 11.781 OUTLIER-EPSILON 0.0 OUTLIER . 0.27000000000000002 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ' C' . . . . . 0.401 ' C5 ' ' C4 ' ' A' ' 9' ' ' ' U' . . . . . . . . 2 P--O5' 1.647 5.372 2 P-O3'-C3' 146.26 22.133 . 0.0 OUTLIER epsilon-1 0.27000000000000002 . . . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . 0.471 " H2'" ' C6 ' ' A' ' 12' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.557 3.618 2 P-O5'-C5' 139.545 11.653 OUTLIER-EPSILON 0.206 1a . 0.27000000000000002 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . 0.471 ' C6 ' " H2'" ' A' ' 11' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.475 3.684 2 P-O3'-C3' 136.894 14.328 . 0.0 OUTLIER epsilon-1 0.27000000000000002 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . 0.586 " H2'" ' C6 ' ' A' ' 14' ' ' ' C' . . . . . . . . 2 C5'--C4' 1.586 5.838 2 P-O5'-C5' 134.295 8.372 . 0.308 1a . 0.27000000000000002 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.586 ' C6 ' " H2'" ' A' ' 13' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.557 3.629 5 P-O3'-C3' 129.308 8.007 OUTLIER-EPSILON 0.361 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ' U' . . . . . 0.456 ' C5 ' " H3'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.451 3.088 4 P-O3'-C3' 138.398 15.582 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ' U' . . . . . 0.413 H5'' ' C5 ' ' A' ' 17' ' ' ' C' . . . . . . . . 2 C5'--C4' 1.609 7.595 4 P-O5'-C5' 138.698 11.124 . 0.013 1z . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ' C' . . . . . 0.413 ' C5 ' H5'' ' A' ' 16' ' ' ' U' . . . . . . . . 2 O3'--C3' 1.496 5.214 3 P-O3'-C3' 137.101 14.501 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ' G' . . . . . 0.492 ' C2 ' ' C5 ' ' A' ' 19' ' ' ' G' . . . . . . . . 4 P--O5' 1.667 7.359 4 P-O3'-C3' 137.283 14.652 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ' G' . . . . . 0.562 " H2'" ' C6 ' ' A' ' 20' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.572 4.786 2 P-O3'-C3' 128.616 7.43 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . 0.695 " H2'" ' H8 ' ' A' ' 21' ' ' ' A' . . . . . . . . 0 C2'--C1' 1.499 -2.857 3 P-O3'-C3' 132.234 10.445 . 0.193 1a . 0.27000000000000002 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ' A' . . . . . 0.695 ' H8 ' " H2'" ' A' ' 20' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.571 4.729 3 P-O5'-C5' 143.468 14.105 . 0.292 1a . 0.27000000000000002 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . 0.594 ' C6 ' " H2'" ' A' ' 21' ' ' ' A' . . . . . . . . 2 C5'--C4' 1.58 5.375 5 P-O5'-C5' 133.753 8.033 . 0.623 1a . 0.27000000000000002 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ' U' . . . . . 0.501 ' C5 ' ' HB2' ' B' ' 6' ' ' ARG . . . . . . . . 0 C2'--C1' 1.56 3.2 3 P-O5'-C5' 130.811 6.194 OUTLIER-DELTA 0.0 OUTLIER delta 0.27000000000000002 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . 0.434 ' OP2' ' NH1' ' B' ' 9' ' ' ARG . . . . . . . . 1 P--O3' 1.664 4.749 3 P-O3'-C3' 131.876 10.147 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.27000000000000002 . . . . . . . . . . 5 4 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.462 2.753 1 P-O3'-C3' 128.011 6.926 . 0.057 1f . 0.27000000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ' A' . . . . . 0.572 " H2'" ' C8 ' ' A' ' 27' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.587 5.935 5 P-O5'-C5' 150.416 18.447 . 0.0 OUTLIER gamma 0.27000000000000002 . . . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ' G' . . . . . 0.572 ' C8 ' " H2'" ' A' ' 26' ' ' ' A' . . . . . . . . 1 C5'--C4' 1.577 5.116 4 P-O5'-C5' 131.791 6.807 OUTLIER-EPSILON 0.125 1a . 0.27000000000000002 . . . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ' A' . . . . . 0.51 " H2'" " H3'" ' A' ' 27' ' ' ' G' . . . . . . . . 1 C3'--C2' 1.574 4.451 5 P-O3'-C3' 139.818 16.765 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.27000000000000002 . . . . . . . . . . 5 4 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.463 3.868 1 C4'-C3'-C2' 107.237 4.537 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.27000000000000002 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ' A' . . . . . 0.423 ' H8 ' ' OP2' ' A' ' 30' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.562 3.977 6 P-O3'-C3' 139.236 16.28 . 0.0 OUTLIER epsilon-1 0.27000000000000002 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ' C' . . . . . 0.404 " O4'" " H2'" ' A' ' 30' ' ' ' A' . . . . . . . . 1 C5'--C4' 1.573 4.851 2 N19-C1'-C2' 121.358 4.974 . 0.0 OUTLIER . 0.27000000000000002 . . . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ' A' . . . . . 0.487 " H2'" ' C8 ' ' A' ' 33' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.497 -2.519 3 P-O5'-C5' 139.406 11.567 . 0.01 1m . 0.27000000000000002 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ' G' . . . . . 0.487 ' C8 ' " H2'" ' A' ' 32' ' ' ' A' . . . . . . . . 0 C2'--O2' 1.446 2.569 1 P-O3'-C3' 125.98 5.233 . 0.435 1a . 0.27000000000000002 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.566 3.774 2 P-O3'-C3' 139.306 16.338 . 0.059 1a . 0.27000000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.647 5.38 3 O4'-C1'-N19 120.645 12.445 . 0.01 1a . 0.27000000000000002 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.526 3.374 0 N-CA-C 114.421 1.267 . . . . 0.27000000000000002 114.421 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.431 ' HD2' ' C6 ' ' A' ' 22' ' ' ' C' . 14.0 ttp85 -59.5 -33.11 70.93 Favored 'General case' 0 C--N 1.383 2.033 0 C-N-CA 128.109 2.564 . . . . 0.27000000000000002 110.19 174.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -8.08 2.93 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 128.045 2.538 . . . . 0.27000000000000002 115.07 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.668 ' HA ' " H2'" ' A' ' 5' ' ' ' G' . . . -76.77 -75.76 0.19 Allowed 'General case' 0 C--N 1.359 1.004 0 N-CA-C 105.305 -2.109 . . . . 0.27000000000000002 105.305 171.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -26.64 -51.12 0.05 OUTLIER 'General case' 0 C--N 1.382 1.989 1 C-N-CA 132.443 4.297 . . . . 0.27000000000000002 114.32 174.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.528 HH12 " H3'" ' A' ' 26' ' ' ' A' 0.283 3.9 tpm_? -48.32 -38.65 19.58 Favored 'General case' 0 C--N 1.376 1.722 1 C-N-CA 134.896 5.278 . . . . 0.27000000000000002 115.017 173.451 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -97.71 -42.42 7.63 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 131.119 3.768 . . . . 0.27000000000000002 107.879 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.409 ' HB2' ' OP2' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -64.21 -46.71 82.68 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 122.282 2.31 . . . . 0.27000000000000002 114.908 178.001 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.434 ' NH1' ' OP2' ' A' ' 24' ' ' ' G' . 0.7 OUTLIER -68.77 -23.71 64.34 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 119.176 -2.203 . . . . 0.27000000000000002 111.146 176.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' B' ' 14' ' ' GLU . 4.1 tmm_? -65.75 -65.39 0.68 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 127.639 2.375 . . . . 0.27000000000000002 110.525 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.453 ' NH1' ' OP2' ' A' ' 3' ' ' ' C' . 1.0 OUTLIER -56.47 -31.45 64.02 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 124.329 1.052 . . . . 0.27000000000000002 113.408 178.378 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 12' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -82.93 -36.02 25.57 Favored 'General case' 0 CA--C 1.554 1.111 0 O-C-N 119.398 -2.064 . . . . 0.27000000000000002 110.492 175.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . 0.445 0.1 OUTLIER -62.38 -48.57 79.16 Favored 'General case' 0 C--N 1.387 2.203 0 O-C-N 118.814 -2.429 . . . . 0.27000000000000002 110.546 177.156 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.45 ' CD ' HH21 ' B' ' 17' ' ' ARG . 0.9 OUTLIER -34.88 -42.18 0.15 Allowed 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 127.156 2.182 . . . . 0.27000000000000002 114.159 174.845 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -38.89 78.37 Favored 'General case' 0 C--N 1.372 1.557 0 C-N-CA 126.796 2.039 . . . . 0.27000000000000002 114.039 176.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . 0.251 0.0 OUTLIER -89.2 -43.03 11.3 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 126.721 2.008 . . . . 0.27000000000000002 109.757 172.833 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.45 HH21 ' CD ' ' B' ' 14' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.373 1.591 0 C-N-CA 129.955 3.302 . . . . 0.27000000000000002 105.263 176.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.433 1.552 0 C3'-C2'-C1' 104.378 3.198 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.717 " H2'" ' C6 ' ' A' ' 3' ' ' ' C' . . . . . . . . 2 P--O5' 1.643 4.962 2 P-O3'-C3' 136.925 14.354 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.717 ' C6 ' " H2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.561 3.349 2 P-O5'-C5' 133.065 7.603 OUTLIER-EPSILON 0.255 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . 0.712 " H2'" ' C8 ' ' A' ' 5' ' ' ' G' . . . . . . . . 2 C5'--C4' 1.581 5.442 3 P-O3'-C3' 142.79 19.242 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . 0.793 " H3'" ' HB2' ' B' ' 4' ' ' ALA . . . . . . . . 1 C5'--C4' 1.577 5.12 4 P-O3'-C3' 139.03 16.108 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.536 3 P-O5'-C5' 141.252 12.72 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.645 5.176 4 O5'-C5'-C4' 118.744 6.103 . 0.247 1c . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ' C' . . . . . 0.607 " H2'" ' C6 ' ' A' ' 9' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.556 3.51 3 P-O5'-C5' 135.979 9.425 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ' U' . . . . . 0.607 ' C6 ' " H2'" ' A' ' 8' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.554 3.352 4 P-O5'-C5' 135.258 8.973 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ' C' . . . . . 0.573 " H2'" ' C8 ' ' A' ' 11' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.56 3.814 3 P-O3'-C3' 139.488 16.49 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . 0.717 " H2'" ' C6 ' ' A' ' 12' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.561 3.926 2 P-O5'-C5' 135.248 8.968 . 0.278 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . 0.717 ' C6 ' " H2'" ' A' ' 11' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.741 3 P-O3'-C3' 129.859 8.465 . 0.197 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . 0.485 ' C2 ' ' N3 ' ' A' ' 21' ' ' ' A' . . . . . . . . 2 P--O5' 1.654 6.094 4 P-O3'-C3' 129.417 8.098 . 0.164 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.42 " O4'" " H2'" ' A' ' 13' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.552 3.229 2 P-O5'-C5' 134.441 8.463 . 0.443 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ' U' . . . . . 0.505 " H2'" ' C5 ' ' A' ' 17' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.565 4.193 3 P-O5'-C5' 145.359 15.287 . 0.776 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.581 5.464 5 P-O5'-C5' 134.807 8.692 . 0.124 1z . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ' C' . . . . . 0.505 ' C5 ' " H2'" ' A' ' 15' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.564 3.532 2 P-O3'-C3' 140.252 17.127 OUTLIER-EPSILON 0.013 2a . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.664 7.115 6 P-O3'-C3' 138.25 15.458 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ' G' . . . . . 0.743 " H2'" ' C6 ' ' A' ' 20' ' ' ' U' . . . . . . . . 4 P--O5' 1.654 6.09 3 P-O3'-C3' 134.413 12.261 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . 0.743 ' C6 ' " H2'" ' A' ' 19' ' ' ' G' . . . . . . . . 0 P--O3' 1.654 3.892 3 P-O3'-C3' 136.899 14.332 . 0.282 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ' A' . . . . . 0.599 " H2'" ' C6 ' ' A' ' 22' ' ' ' C' . . . . . . . . 2 P--O5' 1.65 5.73 4 P-O3'-C3' 129.6 8.25 . 0.49 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . 0.599 ' C6 ' " H2'" ' A' ' 21' ' ' ' A' . . . . . . . . 2 C2'--C1' 1.595 6.651 2 P-O5'-C5' 137.131 10.144 . 0.756 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ' U' . . . . . 0.592 ' C4 ' ' HD2' ' B' ' 6' ' ' ARG . . . . . . . . 0 P--O5' 1.573 -2.009 2 C4'-C3'-C2' 108.712 6.012 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.489 -3.309 1 P-O5'-C5' 137.412 10.32 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.492 -2.969 2 P-O3'-C3' 138.037 15.281 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.567 3.937 2 P-O3'-C3' 132.592 10.744 . 0.037 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.57 4.224 2 P-O3'-C3' 128.248 7.123 . 0.362 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ' A' . . . . . 0.553 ' C2 ' ' C6 ' ' A' ' 30' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.556 2.796 4 P-O3'-C3' 127.608 6.59 OUTLIER-EPSILON 0.121 5z . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ' A' . . . . . 0.593 " H1'" HH21 ' B' ' 11' ' ' ARG . . . . . . . . 2 O4'--C1' 1.47 4.68 5 P-O3'-C3' 137.396 14.747 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ' A' . . . . . 0.553 ' C6 ' ' C2 ' ' A' ' 28' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.555 3.471 2 P-O5'-C5' 132.635 7.334 . 0.04 3a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.576 5.057 4 P-O5'-C5' 132.134 7.021 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.572 4.78 2 O5'-C5'-C4' 117.459 5.185 . 0.775 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ' G' . . . . . 0.596 " H2'" ' C6 ' ' A' ' 34' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.572 4.785 3 P-O3'-C3' 127.585 6.571 . 0.13 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ' C' . . . . . 0.596 ' C6 ' " H2'" ' A' ' 33' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.561 3.907 2 P-O5'-C5' 136.287 9.617 . 0.347 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.64 4.656 4 P-O3'-C3' 132.792 10.91 . 0.232 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.511 2.585 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.447 ' NH2' ' C4 ' ' A' ' 23' ' ' ' U' . 7.5 ttp85 -55.12 -24.16 24.52 Favored 'General case' 0 C--N 1.377 1.799 0 CA-C-O 123.58 1.657 . . . . 0.0 113.78 178.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -11.93 60.09 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 125.704 1.601 . . . . 0.0 114.628 178.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.793 ' HB2' " H3'" ' A' ' 5' ' ' ' G' . . . -80.64 -49.65 10.97 Favored 'General case' 0 C--N 1.365 1.252 0 C-N-CA 124.929 1.291 . . . . 0.0 108.08 174.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.86 -48.33 31.14 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 130.417 3.487 . . . . 0.0 111.2 175.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.592 ' HD2' ' C4 ' ' A' ' 23' ' ' ' U' . 2.3 ttt-85 -52.74 -34.15 51.42 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 129.046 2.938 . . . . 0.0 112.384 173.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . 0.264 34.8 m-80 -92.49 -42.72 9.56 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 127.15 2.18 . . . . 0.0 111.771 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -53.55 -48.03 69.49 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 121.237 1.835 . . . . 0.0 109.279 173.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -51.74 68.66 Favored 'General case' 0 C--N 1.392 2.416 0 CA-C-N 121.659 2.027 . . . . 0.0 112.167 173.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -51.27 -37.9 49.79 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-O 116.963 -1.494 . . . . 0.0 110.455 177.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.593 HH21 " H1'" ' A' ' 29' ' ' ' A' 0.442 0.0 OUTLIER -70.45 -49.86 44.3 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 127.158 2.183 . . . . 0.0 113.448 176.788 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' B' B ' 12' ' ' TRP . . . . . . . . . . . . 0.331 57.3 m95 -58.25 -29.25 65.61 Favored 'General case' 0 CA--C 1.58 2.105 0 CA-C-N 122.287 2.312 . . . . 0.0 111.209 173.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -73.73 -60.29 2.32 Favored 'General case' 0 C--N 1.388 2.242 0 C-N-CA 126.83 2.052 . . . . 0.0 107.884 170.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.408 ' HB2' ' HA ' ' B' ' 11' ' ' ARG . 2.7 mt-10 -36.97 -47.24 0.69 Allowed 'General case' 0 C--N 1.394 2.543 0 C-N-CA 128.753 2.821 . . . . 0.0 111.11 176.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -44.06 -40.6 4.96 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 129.369 3.068 . . . . 0.0 113.405 174.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -76.98 -17.65 58.74 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 125.878 1.671 . . . . 0.0 114.193 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 26.9 mtm105 . . . . . 0 C--N 1.381 1.96 0 C-N-CA 126.75 2.02 . . . . 0.0 111.364 179.688 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . 0.467 " H1'" ' N7 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.557 2.889 4 O4'-C1'-N19 117.636 9.436 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.761 " H2'" ' C6 ' ' A' ' 3' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.56 3.819 3 P-O3'-C3' 134.104 12.003 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.761 ' C6 ' " H2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.461 2.693 3 P-O5'-C5' 133.143 7.652 . 0.658 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . 0.604 " H2'" ' C8 ' ' A' ' 5' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.564 4.173 4 P-O5'-C5' 134.846 8.716 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ' G' . . . . . 0.604 ' C8 ' " H2'" ' A' ' 4' ' ' ' U' . . . . . . . . 0 P--O3' 1.567 -3.329 4 P-O3'-C3' 133.886 11.821 . 0.249 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.564 4.151 5 P-O3'-C3' 131.954 10.212 . 0.015 4a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ' A' . . . . . 0.612 ' H62' ' HG2' ' B' ' 3' ' ' GLN . . . . . . . . 0 O3'--C3' 1.46 2.625 2 P-O5'-C5' 146.531 16.019 . 0.01 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ' C' . . . . . 0.657 " H2'" ' C6 ' ' A' ' 9' ' ' ' U' . . . . . . . . 0 C2'--C1' 1.495 -3.301 3 P-O5'-C5' 131.965 6.916 . 0.688 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ' U' . . . . . 0.657 ' C6 ' " H2'" ' A' ' 8' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.544 2.577 3 P-O3'-C3' 133.719 11.683 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ' C' . . . . . 0.502 " H2'" ' C8 ' ' A' ' 11' ' ' ' G' . . . . . . . . 0 P--O5' 1.632 3.903 2 P-O3'-C3' 131.713 10.011 . 0.5 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . 0.611 " H2'" ' C6 ' ' A' ' 12' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.559 3.752 2 P-O5'-C5' 140.757 12.411 . 0.182 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . 0.611 ' C6 ' " H2'" ' A' ' 11' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.551 3.124 3 P-O3'-C3' 129.587 8.239 . 0.848 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . 0.4 ' C8 ' " H2'" ' A' ' 12' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.579 5.306 3 P-O5'-C5' 147.428 16.58 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.46 " H3'" ' C5 ' ' A' ' 15' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.49 -3.05 3 O4'-C1'-N19 116.951 8.751 OUTLIER-EPSILON 0.446 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ' U' . . . . . 0.499 " H1'" ' N2 ' ' A' ' 19' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.488 -3.995 3 P-O3'-C3' 138.632 15.777 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.575 5.005 3 P-O5'-C5' 132.226 7.079 . 0.146 1z . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.564 3.571 2 P-O3'-C3' 141.986 18.572 OUTLIER-EPSILON 0.011 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.683 8.964 6 P-O3'-C3' 136.919 14.349 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ' G' . . . . . 0.585 " H2'" ' C6 ' ' A' ' 20' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.56 3.852 2 P-O3'-C3' 147.618 23.265 . 0.292 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . 0.585 ' C6 ' " H2'" ' A' ' 19' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.551 3.168 3 P-O5'-C5' 135.841 9.338 . 0.424 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ' A' . . . . . 0.556 ' C8 ' " H2'" ' A' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.492 3.23 3 P-O5'-C5' 142.619 13.575 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . 0.465 ' C4 ' ' C5 ' ' A' ' 21' ' ' ' A' . . . . . . . . 1 C5'--C4' 1.567 4.376 2 P-O5'-C5' 139.386 11.554 . 0.391 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ' U' . . . . . 0.508 ' N3 ' ' HD2' ' B' ' 6' ' ' ARG . . . . . . . . 0 O3'--C3' 1.47 3.371 2 P-O5'-C5' 132.825 7.453 . 0.0 OUTLIER '7D dist 7r' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.572 4.747 4 P-O3'-C3' 140.6 17.416 . 0.068 0k . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . 0.423 ' N7 ' ' NH2' ' B' ' 2' ' ' ARG . . . . . . . . 0 O3'--C3' 1.466 3.077 2 P-O5'-C5' 147.792 16.808 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ' A' . . . . . 0.515 " H2'" ' C8 ' ' A' ' 27' ' ' ' G' . . . . . . . . 1 P--O3' 1.655 4.021 1 P-O5'-C5' 131.148 6.405 . 0.157 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ' G' . . . . . 0.515 ' C8 ' " H2'" ' A' ' 26' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.557 3.595 2 P-O5'-C5' 132.525 7.266 . 0.067 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ' A' . . . . . 0.427 ' C2 ' ' C5 ' ' A' ' 30' ' ' ' A' . . . . . . . . 1 C3'--C2' 1.571 4.178 2 P-O3'-C3' 138.044 15.287 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.459 2.567 3 P-O3'-C3' 139.171 16.226 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ' A' . . . . . 0.543 ' C2 ' " H1'" ' A' ' 31' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.564 4.138 6 P-O3'-C3' 138.081 15.318 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ' C' . . . . . 0.543 " H1'" ' C2 ' ' A' ' 30' ' ' ' A' . . . . . . . . 2 P--O5' 1.659 6.633 5 O4'-C1'-N19 119.154 10.954 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ' A' . . . . . 0.464 " H2'" ' C8 ' ' A' ' 33' ' ' ' G' . . . . . . . . 1 P--O3' 1.66 4.447 5 P-O3'-C3' 132.891 10.992 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ' G' . . . . . 0.716 " H2'" ' C6 ' ' A' ' 34' ' ' ' C' . . . . . . . . 2 C5'--C4' 1.574 4.913 3 P-O3'-C3' 132.769 10.891 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ' C' . . . . . 0.716 ' C6 ' " H2'" ' A' ' 33' ' ' ' G' . . . . . . . . 2 C5'--C4' 1.569 4.549 3 P-O3'-C3' 134.739 12.532 . 0.577 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.569 4.513 4 P-O3'-C3' 131.825 10.104 . 0.01 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.512 2.675 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.423 ' NH2' ' N7 ' ' A' ' 25' ' ' ' G' 0.265 5.1 ttp180 59.48 -52.72 0.07 Allowed 'General case' 0 C--N 1.375 1.687 0 C-N-CA 131.388 3.875 . . . . 0.0 116.096 -178.057 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.612 ' HG2' ' H62' ' A' ' 7' ' ' ' A' . 33.2 tp60 -47.14 -34.82 6.49 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 127.686 2.394 . . . . 0.0 114.591 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.425 ' HB2' " C2'" ' A' ' 5' ' ' ' G' . . . -53.54 -44.09 68.91 Favored 'General case' 0 CA--C 1.592 2.579 0 CA-C-O 125.105 2.383 . . . . 0.0 111.125 176.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 69.6 mtm-85 -70.46 -25.93 63.4 Favored 'General case' 0 C--N 1.389 2.307 0 C-N-CA 127.884 2.474 . . . . 0.0 109.773 175.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.508 ' HD2' ' N3 ' ' A' ' 23' ' ' ' U' . 1.2 ttt85 -73.27 -69.61 0.41 Allowed 'General case' 0 C--O 1.197 -1.685 0 C-N-CA 129.845 3.258 . . . . 0.0 103.137 172.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . 0.481 45.7 m-20 -37.22 -56.81 0.92 Allowed 'General case' 0 C--N 1.362 1.133 0 CA-C-N 124.855 3.48 . . . . 0.0 116.551 -178.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.411 ' HB2' ' CZ ' ' B' ' 8' ' ' ARG . 8.1 ttm105 -49.8 -54.5 18.85 Favored 'General case' 0 C--N 1.384 2.069 0 CA-C-N 119.429 1.013 . . . . 0.0 109.575 172.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -67.62 -49.8 61.23 Favored 'General case' 0 C--O 1.205 -1.283 0 C-N-CA 130.578 3.551 . . . . 0.0 115.514 176.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.404 HH12 ' CD ' ' B' ' 14' ' ' GLU 0.285 0.0 OUTLIER -64.23 45.88 0.02 OUTLIER 'General case' 0 CA--C 1.565 1.529 1 C-N-CA 133.861 4.865 . . . . 0.0 107.101 176.087 . . . . . . . . 5 4 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.52 -77.66 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.566 1 C-N-CA 134.186 4.994 . . . . 0.0 101.982 -172.248 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 12' ' ' TRP . . . . . . . . . . . . 0.331 92.9 m95 -55.71 -26.04 43.17 Favored 'General case' 0 C--N 1.382 2.018 0 O-C-N 118.595 -2.566 . . . . 0.0 117.119 178.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 ttt85 -63.62 -61.73 2.13 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 128.066 2.546 . . . . 0.0 104.196 174.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.497 ' H ' ' CD ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -33.69 -49.2 0.3 Allowed 'General case' 0 N--CA 1.498 1.95 1 C-N-CA 131.905 4.082 . . . . 0.0 114.51 178.241 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -64.12 -11.2 27.92 Favored 'General case' 0 CA--C 1.566 1.594 0 C-N-CA 125.628 1.571 . . . . 0.0 114.351 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.44 -38.3 0.84 Allowed 'General case' 0 CA--C 1.57 1.745 0 C-N-CA 130.948 3.699 . . . . 0.0 114.193 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.426 ' NH2' ' OP1' ' A' ' 26' ' ' ' A' . 38.3 ttt-85 . . . . . 0 C--N 1.363 1.194 1 C-N-CA 134.064 4.945 . . . . 0.0 110.384 178.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . 0.335 1.9 mp0 . . . . . 0 CA--C 1.539 0.535 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.56 -56.98 3.8 Favored 'General case' 0 C--N 1.385 2.152 0 C-N-CA 126.088 1.755 . . . . 0.0 106.914 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 -54.33 -43.61 71.35 Favored 'General case' 0 C--N 1.367 1.342 0 CA-C-O 116.712 -1.613 . . . . 0.0 107.887 170.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.51 HH11 ' HG2' ' B' ' 6' ' ' ARG . 0.0 OUTLIER -69.04 18.12 0.04 OUTLIER 'General case' 0 C--N 1.39 2.334 0 N-CA-C 117.631 2.456 . . . . 0.0 117.631 172.224 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . 0.259 45.0 m-80 -143.92 -37.04 0.33 Allowed 'General case' 0 CA--C 1.566 1.574 0 C-N-CA 128.913 2.885 . . . . 0.0 112.102 176.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -80.36 -69.45 0.59 Allowed 'General case' 0 C--N 1.359 0.989 0 C-N-CA 128.629 2.772 . . . . 0.0 107.639 174.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 mmm-85 -56.01 -43.88 78.13 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 120.012 1.278 . . . . 0.0 109.825 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.511 ' HE ' ' CG ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -52.35 -46.48 66.12 Favored 'General case' 0 C--N 1.364 1.232 0 CA-C-O 115.825 -2.036 . . . . 0.0 113.377 175.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -70.07 -37.73 75.56 Favored 'General case' 0 C--N 1.402 2.861 0 C-N-CA 126.001 1.72 . . . . 0.0 114.335 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -77.09 -31.32 55.87 Favored 'General case' 0 C--N 1.384 2.095 0 O-C-N 121.251 -0.906 . . . . 0.0 112.005 174.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 ttp-105 -82.88 -55.62 4.29 Favored 'General case' 0 C--N 1.376 1.744 0 C-N-CA 126.192 1.797 . . . . 0.0 113.533 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.511 ' CG ' ' HE ' ' B' ' 10' ' ' ARG 0.251 3.5 mm-40 -40.41 -39.41 0.99 Allowed 'General case' 0 C--N 1.392 2.45 0 CA-C-N 122.46 2.391 . . . . 0.0 112.643 179.345 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 ttm-85 -40.07 -31.31 0.12 Allowed 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 127.9 2.48 . . . . 0.0 114.955 172.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.96 -36.81 22.97 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 129.363 3.065 . . . . 0.0 115.373 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 . . . . . 0 C--N 1.359 0.989 1 C-N-CA 131.731 4.013 . . . . 0.0 108.592 -178.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . 0.589 HE21 ' ND2' ' B' ' 7' ' ' ASN . 56.0 tp60 . . . . . 0 N--CA 1.438 -1.048 0 CA-C-O 118.258 -0.877 . . . . 0.52000000000000002 110.837 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.64 -52.2 65.33 Favored 'General case' 0 CA--C 1.601 2.918 0 CA-C-N 121.437 1.926 . . . . 0.52000000000000002 107.008 177.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 85.9 mtm-85 -60.1 -36.85 78.34 Favored 'General case' 0 C--N 1.376 1.727 0 O-C-N 118.65 -2.531 . . . . 0.52000000000000002 113.325 177.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.455 ' HD3' ' OE1' ' B' ' 3' ' ' GLN . 0.0 OUTLIER -62.91 -55.41 26.28 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 130.427 3.491 . . . . 0.52000000000000002 104.876 175.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ASN . . . . . 0.589 ' ND2' HE21 ' B' ' 3' ' ' GLN . 3.4 m-20 -48.45 -32.23 7.46 Favored 'General case' 0 C--N 1.366 1.316 0 CA-C-O 115.157 -2.354 . . . . 0.52000000000000002 114.048 172.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -73.3 0.07 Allowed 'General case' 0 C--N 1.39 2.357 0 CA-C-N 121.763 2.074 . . . . 0.52000000000000002 109.712 173.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.447 ' C ' ' H ' ' B' ' 11' ' ' ARG 0.27 0.1 OUTLIER -63.54 -46.86 84.05 Favored 'General case' 0 C--N 1.379 1.871 0 CA-C-O 115.629 -2.129 . . . . 0.52000000000000002 114.555 178.443 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . 0.319 0.0 OUTLIER -64.71 38.54 0.02 OUTLIER 'General case' 0 CA--C 1.585 2.317 0 C-N-CA 130.034 3.334 . . . . 0.52000000000000002 110.981 176.629 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.447 ' H ' ' C ' ' B' ' 9' ' ' ARG . 60.9 mtt-85 -159.84 -74.91 0.07 Allowed 'General case' 0 C--N 1.361 1.1 1 C-N-CA 134.366 5.066 . . . . 0.52000000000000002 106.282 179.254 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' TRP . . . . . . . . . . . . 0.293 57.4 m95 -68.6 -18.83 64.4 Favored 'General case' 0 C--N 1.373 1.612 0 N-CA-C 118.595 2.813 . . . . 0.52000000000000002 118.595 -178.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -95.78 -15.59 22.46 Favored 'General case' 0 CA--C 1.569 1.675 0 C-N-CA 128.281 2.633 . . . . 0.52000000000000002 111.792 173.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.425 ' OE1' ' NH1' ' B' ' 17' ' ' ARG . 23.3 mm-40 -66.79 -27.83 67.89 Favored 'General case' 0 C--N 1.367 1.345 0 C-N-CA 129.472 3.109 . . . . 0.52000000000000002 112.698 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.98 -10.47 9.86 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 128.445 2.698 . . . . 0.52000000000000002 111.851 173.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -111.48 -67.32 1.01 Allowed 'General case' 0 C--N 1.37 1.46 0 C-N-CA 131.011 3.724 . . . . 0.52000000000000002 106.978 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.425 ' NH1' ' OE1' ' B' ' 14' ' ' GLU . 34.7 ttt-85 . . . . . 0 CA--C 1.565 1.546 0 C-N-CA 127.937 2.495 . . . . 0.52000000000000002 109.704 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . 0.371 2.8 mm-40 . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.99 -53.16 4.91 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 127.704 2.402 . . . . 0.0 111.983 173.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 32.0 mtm105 -75.92 -40.34 54.41 Favored 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 129.776 3.231 . . . . 0.0 111.165 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -57.17 -37.62 72.37 Favored 'General case' 0 C--N 1.381 1.94 0 C-N-CA 128.096 2.558 . . . . 0.0 108.798 173.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . 0.277 35.0 m-20 -65.71 -51.74 56.91 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 130.697 3.599 . . . . 0.0 107.579 174.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -57.33 -55.48 34.29 Favored 'General case' 0 C--N 1.392 2.429 0 CA-C-N 122.44 2.382 . . . . 0.0 109.951 172.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.49 29.4 0.1 Allowed 'General case' 0 C--N 1.364 1.2 0 N-CA-C 117.93 2.567 . . . . 0.0 117.93 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.503 ' O ' ' HG2' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -125.15 -77.46 0.59 Allowed 'General case' 0 C--N 1.355 0.845 0 C-N-CA 130.763 3.625 . . . . 0.0 101.616 174.028 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . 0.271 43.4 mtt-85 -48.98 -35.98 16.5 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 117.11 2.263 . . . . 0.0 117.11 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -100.94 15.09 29.75 Favored 'General case' 0 CA--C 1.58 2.118 0 C-N-CA 126.236 1.815 . . . . 0.0 112.029 174.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -123.88 -39.14 2.42 Favored 'General case' 0 C--N 1.373 1.62 0 C-N-CA 127.423 2.289 . . . . 0.0 112.698 -176.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' B' ' 10' ' ' ARG . 6.3 mm-40 -57.18 -12.35 2.22 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 128.251 2.62 . . . . 0.0 113.433 177.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . 0.255 94.5 mtt180 -87.4 -5.28 58.92 Favored 'General case' 0 CA--C 1.598 2.811 1 C-N-CA 132.657 4.383 . . . . 0.0 113.806 177.717 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -105.71 -61.42 1.5 Allowed 'General case' 0 C--N 1.373 1.629 1 C-N-CA 134.067 4.947 . . . . 0.0 108.585 177.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? . . . . . 0 C--N 1.385 2.132 0 C-N-CA 126.661 1.985 . . . . 0.0 109.036 179.869 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.44 -0.955 0 CA-C-O 116.426 -1.749 . . . . 0.37 113.204 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.28 -51.64 11.6 Favored 'General case' 0 C--N 1.386 2.18 0 CA-C-N 120.81 1.641 . . . . 0.37 109.318 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -49.0 -51.25 31.76 Favored 'General case' 0 C--N 1.381 1.967 0 C-N-CA 128.933 2.893 . . . . 0.37 105.331 171.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -0.57 0.59 Allowed 'General case' 0 C--N 1.386 2.164 0 N-CA-C 117.051 2.241 . . . . 0.37 117.051 176.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -122.93 -44.15 2.2 Favored 'General case' 0 CA--C 1.559 1.307 0 O-C-N 118.795 -2.44 . . . . 0.37 111.931 174.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -63.01 1.32 Allowed 'General case' 0 C--N 1.377 1.783 0 C-N-CA 125.61 1.564 . . . . 0.37 111.692 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -51.14 71.23 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 125.61 1.564 . . . . 0.37 108.855 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.452 ' HA ' ' HB3' ' B' ' 13' ' ' ARG . 1.1 tmm_? -46.25 -60.9 2.03 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 129.615 3.166 . . . . 0.37 114.666 176.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.449 HH11 ' HB3' ' B' ' 11' ' ' ARG 0.396 0.0 OUTLIER -54.75 -43.42 72.69 Favored 'General case' 0 C--N 1.379 1.887 0 CA-C-N 123.349 2.795 . . . . 0.37 113.265 -178.575 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' TRP . . . . . . . . . . . . 0.279 8.3 t-105 -68.42 -47.76 66.39 Favored 'General case' 0 C--N 1.379 1.855 0 CA-C-N 120.754 1.616 . . . . 0.37 110.73 171.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.452 ' HB3' ' HA ' ' B' ' 10' ' ' ARG . 8.9 ttp180 -52.34 -55.32 22.32 Favored 'General case' 0 C--N 1.389 2.305 1 C-N-CA 133.299 4.639 . . . . 0.37 115.782 178.171 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.419 ' OE1' ' NE ' ' B' ' 17' ' ' ARG 0.298 67.3 mm-40 -44.72 -38.48 4.44 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 126.76 2.024 . . . . 0.37 112.779 179.704 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 77.8 mtm-85 -56.98 -21.68 32.37 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 127.951 2.5 . . . . 0.37 114.464 173.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -89.01 -54.65 4.02 Favored 'General case' 0 C--N 1.372 1.546 0 C-N-CA 127.393 2.277 . . . . 0.37 108.272 173.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.419 ' NE ' ' OE1' ' B' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.378 1.814 1 C-N-CA 133.358 4.663 . . . . 0.37 104.503 177.405 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.445 -0.689 0 N-CA-C 115.07 1.507 . . . . 0.27000000000000002 115.07 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.77 -75.76 0.19 Allowed 'General case' 0 C--N 1.359 1.004 0 N-CA-C 105.305 -2.109 . . . . 0.27000000000000002 105.305 171.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -26.64 -51.12 0.05 OUTLIER 'General case' 0 C--N 1.382 1.989 1 C-N-CA 132.443 4.297 . . . . 0.27000000000000002 114.32 174.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . 0.283 3.9 tpm_? -48.32 -38.65 19.58 Favored 'General case' 0 C--N 1.376 1.722 1 C-N-CA 134.896 5.278 . . . . 0.27000000000000002 115.017 173.451 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -97.71 -42.42 7.63 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 131.119 3.768 . . . . 0.27000000000000002 107.879 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -46.71 82.68 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 122.282 2.31 . . . . 0.27000000000000002 114.908 178.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.77 -23.71 64.34 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 119.176 -2.203 . . . . 0.27000000000000002 111.146 176.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' B' ' 14' ' ' GLU . 4.1 tmm_? -65.75 -65.39 0.68 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 127.639 2.375 . . . . 0.27000000000000002 110.525 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.47 -31.45 64.02 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 124.329 1.052 . . . . 0.27000000000000002 113.408 178.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -82.93 -36.02 25.57 Favored 'General case' 0 CA--C 1.554 1.111 0 O-C-N 119.398 -2.064 . . . . 0.27000000000000002 110.492 175.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . 0.445 0.1 OUTLIER -62.38 -48.57 79.16 Favored 'General case' 0 C--N 1.387 2.203 0 O-C-N 118.814 -2.429 . . . . 0.27000000000000002 110.546 177.156 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.45 ' CD ' HH21 ' B' ' 17' ' ' ARG . 0.9 OUTLIER -34.88 -42.18 0.15 Allowed 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 127.156 2.182 . . . . 0.27000000000000002 114.159 174.845 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -38.89 78.37 Favored 'General case' 0 C--N 1.372 1.557 0 C-N-CA 126.796 2.039 . . . . 0.27000000000000002 114.039 176.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . 0.251 0.0 OUTLIER -89.2 -43.03 11.3 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 126.721 2.008 . . . . 0.27000000000000002 109.757 172.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.45 HH21 ' CD ' ' B' ' 14' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.373 1.591 0 C-N-CA 129.955 3.302 . . . . 0.27000000000000002 105.263 176.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.604 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.64 -49.65 10.97 Favored 'General case' 0 C--N 1.365 1.252 0 C-N-CA 124.929 1.291 . . . . 0.0 108.08 174.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.86 -48.33 31.14 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 130.417 3.487 . . . . 0.0 111.2 175.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -52.74 -34.15 51.42 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 129.046 2.938 . . . . 0.0 112.384 173.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . 0.264 34.8 m-80 -92.49 -42.72 9.56 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 127.15 2.18 . . . . 0.0 111.771 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -53.55 -48.03 69.49 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 121.237 1.835 . . . . 0.0 109.279 173.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -51.74 68.66 Favored 'General case' 0 C--N 1.392 2.416 0 CA-C-N 121.659 2.027 . . . . 0.0 112.167 173.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -51.27 -37.9 49.79 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-O 116.963 -1.494 . . . . 0.0 110.455 177.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.408 ' HA ' ' HB2' ' B' ' 14' ' ' GLU 0.442 0.0 OUTLIER -70.45 -49.86 44.3 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 127.158 2.183 . . . . 0.0 113.448 176.788 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' TRP . . . . . . . . . . . . 0.331 57.3 m95 -58.25 -29.25 65.61 Favored 'General case' 0 CA--C 1.58 2.105 0 CA-C-N 122.287 2.312 . . . . 0.0 111.209 173.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -73.73 -60.29 2.32 Favored 'General case' 0 C--N 1.388 2.242 0 C-N-CA 126.83 2.052 . . . . 0.0 107.884 170.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.408 ' HB2' ' HA ' ' B' ' 11' ' ' ARG . 2.7 mt-10 -36.97 -47.24 0.69 Allowed 'General case' 0 C--N 1.394 2.543 0 C-N-CA 128.753 2.821 . . . . 0.0 111.11 176.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -44.06 -40.6 4.96 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 129.369 3.068 . . . . 0.0 113.405 174.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -76.98 -17.65 58.74 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 125.878 1.671 . . . . 0.0 114.193 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 26.9 mtm105 . . . . . 0 C--N 1.381 1.96 0 C-N-CA 126.75 2.02 . . . . 0.0 111.364 179.688 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 . . . . . 0 C--O 1.22 -0.488 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.54 -44.09 68.91 Favored 'General case' 0 CA--C 1.592 2.579 0 CA-C-O 125.105 2.383 . . . . 0.0 111.125 176.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 69.6 mtm-85 -70.46 -25.93 63.4 Favored 'General case' 0 C--N 1.389 2.307 0 C-N-CA 127.884 2.474 . . . . 0.0 109.773 175.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -73.27 -69.61 0.41 Allowed 'General case' 0 C--O 1.197 -1.685 0 C-N-CA 129.845 3.258 . . . . 0.0 103.137 172.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ASN . . . . . . . . . . . . 0.481 45.7 m-20 -37.22 -56.81 0.92 Allowed 'General case' 0 C--N 1.362 1.133 0 CA-C-N 124.855 3.48 . . . . 0.0 116.551 -178.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.411 ' HB2' ' CZ ' ' B' ' 8' ' ' ARG . 8.1 ttm105 -49.8 -54.5 18.85 Favored 'General case' 0 C--N 1.384 2.069 0 CA-C-N 119.429 1.013 . . . . 0.0 109.575 172.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -67.62 -49.8 61.23 Favored 'General case' 0 C--O 1.205 -1.283 0 C-N-CA 130.578 3.551 . . . . 0.0 115.514 176.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.404 HH12 ' CD ' ' B' ' 14' ' ' GLU 0.285 0.0 OUTLIER -64.23 45.88 0.02 OUTLIER 'General case' 0 CA--C 1.565 1.529 1 C-N-CA 133.861 4.865 . . . . 0.0 107.101 176.087 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.52 -77.66 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.566 1 C-N-CA 134.186 4.994 . . . . 0.0 101.982 -172.248 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' TRP . . . . . . . . . . . . 0.331 92.9 m95 -55.71 -26.04 43.17 Favored 'General case' 0 C--N 1.382 2.018 0 O-C-N 118.595 -2.566 . . . . 0.0 117.119 178.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 ttt85 -63.62 -61.73 2.13 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 128.066 2.546 . . . . 0.0 104.196 174.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.497 ' H ' ' CD ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -33.69 -49.2 0.3 Allowed 'General case' 0 N--CA 1.498 1.95 1 C-N-CA 131.905 4.082 . . . . 0.0 114.51 178.241 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -64.12 -11.2 27.92 Favored 'General case' 0 CA--C 1.566 1.594 0 C-N-CA 125.628 1.571 . . . . 0.0 114.351 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.44 -38.3 0.84 Allowed 'General case' 0 CA--C 1.57 1.745 0 C-N-CA 130.948 3.699 . . . . 0.0 114.193 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 38.3 ttt-85 . . . . . 0 C--N 1.363 1.194 1 C-N-CA 134.064 4.945 . . . . 0.0 110.384 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.469 3.283 1 C3'-C2'-C1' 105.885 4.873 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.632 " H2'" ' C6 ' ' A' ' 3' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.569 4.548 3 P-O5'-C5' 140.125 12.016 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.632 ' C6 ' " H2'" ' A' ' 2' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.57 4.595 1 P-O5'-C5' 135.89 9.368 . 0.292 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . 0.632 " H2'" ' C8 ' ' A' ' 5' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.496 -3.248 1 P-O5'-C5' 131.389 6.556 OUTLIER-EPSILON 0.582 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . 0.632 ' C8 ' " H2'" ' A' ' 4' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.579 5.291 5 P-O3'-C3' 140.294 17.162 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.558 3.041 4 P-O5'-C5' 145.141 15.15 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.472 3.476 2 C2'-C3'-O3' 122.665 4.166 OUTLIER-EPSILON 0.206 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ' C' . . . . . 0.581 " H2'" ' C6 ' ' A' ' 9' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.562 3.99 2 P-O3'-C3' 135.981 13.567 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ' U' . . . . . 0.581 ' C6 ' " H2'" ' A' ' 8' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.552 3.208 5 P-O5'-C5' 146.364 15.915 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ' C' . . . . . 0.435 ' C5 ' ' C4 ' ' A' ' 9' ' ' ' U' . . . . . . . . 1 P--O5' 1.634 4.054 2 P-O3'-C3' 138.846 15.955 . 0.362 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.475 3.691 4 P-O5'-C5' 145.163 15.164 OUTLIER-EPSILON 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.573 4.832 4 P-O3'-C3' 139.742 16.702 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.658 6.516 2 P-O5'-C5' 131.783 6.802 . 0.422 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.43 " H3'" ' C5 ' ' A' ' 15' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.486 -3.497 4 P-O5'-C5' 132.958 7.536 OUTLIER-EPSILON 0.273 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ' U' . . . . . 0.43 ' C5 ' " H3'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.49 3.12 2 P-O3'-C3' 138.212 15.426 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.467 3.163 0 O4'-C1'-N19 111.739 3.539 . 0.232 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.495 5.163 2 P-O3'-C3' 135.064 12.803 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ' G' . . . . . 0.444 ' N1 ' ' C5 ' ' A' ' 19' ' ' ' G' . . . . . . . . 3 P--O5' 1.662 6.884 3 P-O3'-C3' 138.248 15.457 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ' G' . . . . . 0.745 " H2'" ' C6 ' ' A' ' 20' ' ' ' U' . . . . . . . . 0 O3'--C3' 1.474 3.648 2 P-O5'-C5' 141.617 12.948 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . 0.745 ' C6 ' " H2'" ' A' ' 19' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.736 3 P-O3'-C3' 130.255 8.796 . 0.292 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ' A' . . . . . 0.583 " H2'" ' C6 ' ' A' ' 22' ' ' ' C' . . . . . . . . 2 P--O5' 1.652 5.919 3 P-O5'-C5' 138.069 10.731 . 0.663 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . 0.583 ' C6 ' " H2'" ' A' ' 21' ' ' ' A' . . . . . . . . 2 C5'--C4' 1.597 6.685 3 P-O5'-C5' 134.488 8.493 . 0.67 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ' U' . . . . . 0.691 ' C4 ' ' HD2' ' B' ' 6' ' ' ARG . . . . . . . . 0 C4'--C3' 1.554 2.753 2 P-O3'-C3' 137.365 14.721 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.554 2.605 6 P-O3'-C3' 140.418 17.265 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . 0.438 ' N7 ' ' C2 ' ' A' ' 23' ' ' ' U' . . . . . . . . 3 P--O5' 1.659 6.617 3 P-O5'-C5' 139.526 11.642 . 0.01 5j . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ' A' . . . . . 0.404 ' OP2' ' NH1' ' B' ' 13' ' ' ARG . . . . . . . . 1 C5'--C4' 1.57 4.595 2 P-O3'-C3' 133.743 11.703 . 0.497 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ' G' . . . . . 0.426 " H3'" " H2'" ' A' ' 28' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.551 3.189 3 P-O3'-C3' 136.051 13.626 . 0.617 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ' A' . . . . . 0.439 ' C2 ' ' C5 ' ' A' ' 30' ' ' ' A' . . . . . . . . 1 P--O5' 1.636 4.254 0 P-O5'-C5' 127.018 3.823 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.643 5.047 3 P-O3'-C3' 140.561 17.384 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ' A' . . . . . 0.491 ' H61' HD21 ' B' ' 7' ' ' ASN . . . . . . . . 2 C5'--C4' 1.579 5.281 7 P-O3'-C3' 138.543 15.702 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.097 2 N19-C1'-C2' 121.553 5.096 . 0.022 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ' A' . . . . . 0.421 ' C5 ' ' N7 ' ' A' ' 33' ' ' ' G' . . . . . . . . 2 C5'--C4' 1.586 5.885 4 P-O5'-C5' 131.056 6.347 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ' G' . . . . . 0.597 ' C5 ' ' C5 ' ' A' ' 34' ' ' ' C' . . . . . . . . 0 C2'--O2' 1.444 2.375 1 N19-C1'-C2' 123.508 6.318 . 0.614 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ' C' . . . . . 0.597 ' C5 ' ' C5 ' ' A' ' 33' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.564 3.633 5 P-O3'-C3' 139.487 16.489 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.644 5.137 4 O4'-C1'-N19 116.562 8.362 . 0.205 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . . . . . . . . 0.251 5.7 t . . . . . 0 N--CA 1.536 3.854 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.406 HH21 " H2'" ' A' ' 22' ' ' ' C' . 51.0 ttt-85 -74.44 -27.84 60.78 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 129.576 3.15 . . . . 0.0 109.165 177.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . 0.335 1.9 mp0 -62.34 -4.67 1.94 Allowed 'General case' 0 C--N 1.389 2.286 0 C-N-CA 125.889 1.676 . . . . 0.0 113.41 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.624 ' HA ' " H2'" ' A' ' 5' ' ' ' G' . . . -80.56 -56.98 3.8 Favored 'General case' 0 C--N 1.385 2.152 0 C-N-CA 126.088 1.755 . . . . 0.0 106.914 175.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.424 ' NH1' ' OP2' ' A' ' 23' ' ' ' U' . 68.4 mtm180 -54.33 -43.61 71.35 Favored 'General case' 0 C--N 1.367 1.342 0 CA-C-O 116.712 -1.613 . . . . 0.0 107.887 170.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.691 ' HD2' ' C4 ' ' A' ' 23' ' ' ' U' . 0.0 OUTLIER -69.04 18.12 0.04 OUTLIER 'General case' 0 C--N 1.39 2.334 0 N-CA-C 117.631 2.456 . . . . 0.0 117.631 172.224 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ASN . . . . . 0.491 HD21 ' H61' ' A' ' 30' ' ' ' A' 0.259 45.0 m-80 -143.92 -37.04 0.33 Allowed 'General case' 0 CA--C 1.566 1.574 0 C-N-CA 128.913 2.885 . . . . 0.0 112.102 176.195 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -80.36 -69.45 0.59 Allowed 'General case' 0 C--N 1.359 0.989 0 C-N-CA 128.629 2.772 . . . . 0.0 107.639 174.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 mmm-85 -56.01 -43.88 78.13 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 120.012 1.278 . . . . 0.0 109.825 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.511 ' HE ' ' CG ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -52.35 -46.48 66.12 Favored 'General case' 0 C--N 1.364 1.232 0 CA-C-O 115.825 -2.036 . . . . 0.0 113.377 175.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -70.07 -37.73 75.56 Favored 'General case' 0 C--N 1.402 2.861 0 C-N-CA 126.001 1.72 . . . . 0.0 114.335 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -77.09 -31.32 55.87 Favored 'General case' 0 C--N 1.384 2.095 0 O-C-N 121.251 -0.906 . . . . 0.0 112.005 174.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.404 ' NH1' ' OP2' ' A' ' 26' ' ' ' A' . 6.5 ttp-105 -82.88 -55.62 4.29 Favored 'General case' 0 C--N 1.376 1.744 0 C-N-CA 126.192 1.797 . . . . 0.0 113.533 -178.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.511 ' CG ' ' HE ' ' B' ' 10' ' ' ARG 0.251 3.5 mm-40 -40.41 -39.41 0.99 Allowed 'General case' 0 C--N 1.392 2.45 0 CA-C-N 122.46 2.391 . . . . 0.0 112.643 179.345 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 ttm-85 -40.07 -31.31 0.12 Allowed 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 127.9 2.48 . . . . 0.0 114.955 172.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.96 -36.81 22.97 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 129.363 3.065 . . . . 0.0 115.373 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 . . . . . 0 C--N 1.359 0.989 1 C-N-CA 131.731 4.013 . . . . 0.0 108.592 -178.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . 0.414 " H1'" ' N7 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.504 -1.891 3 O4'-C1'-N19 120.872 12.672 OUTLIER-DELTA 0.0 '__' . 0.52000000000000002 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.414 ' N7 ' " H1'" ' A' ' 1' ' ' ' G' . . . . . . . . 0 P--O5' 1.628 3.514 3 P-O3'-C3' 139.336 16.363 . 0.0 OUTLIER . 0.52000000000000002 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.435 ' OP1' ' NH2' ' B' ' 15' ' ' ARG . . . . . . . . 0 O3'--C3' 1.473 3.563 3 P-O3'-C3' 130.937 9.364 . 0.729 1a . 0.52000000000000002 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . 0.722 " H2'" ' C8 ' ' A' ' 5' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.557 3.601 3 P-O5'-C5' 145.506 15.378 OUTLIER-EPSILON 0.0 OUTLIER . 0.52000000000000002 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . 0.722 ' C8 ' " H2'" ' A' ' 4' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.485 -3.541 5 P-O3'-C3' 140.261 17.134 . 0.0 OUTLIER epsilon-1 0.52000000000000002 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.565 4.23 4 P-O5'-C5' 139.337 11.523 . 0.01 4a . 0.52000000000000002 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.627 2 P-O3'-C3' 125.754 5.045 OUTLIER-EPSILON 0.182 1c . 0.52000000000000002 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ' C' . . . . . 0.724 " H2'" ' C6 ' ' A' ' 9' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.49 -3.097 4 P-O3'-C3' 141.15 17.875 . 0.0 OUTLIER epsilon-1 0.52000000000000002 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ' U' . . . . . 0.724 ' C6 ' " H2'" ' A' ' 8' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.052 5 P-O5'-C5' 138.47 10.981 . 0.0 OUTLIER . 0.52000000000000002 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.642 4.949 3 P-O3'-C3' 133.604 11.586 . 0.0 OUTLIER . 0.52000000000000002 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . 0.56 " H2'" ' C6 ' ' A' ' 12' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.551 3.146 1 P-O5'-C5' 134.822 8.701 . 0.0 OUTLIER alpha 0.52000000000000002 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . 0.56 ' C6 ' " H2'" ' A' ' 11' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.562 3.977 4 P-O3'-C3' 149.44 24.783 . 0.583 1a . 0.52000000000000002 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . 0.555 ' C8 ' " H2'" ' A' ' 12' ' ' ' U' . . . . . . . . 2 P--O5' 1.652 5.899 3 P-O3'-C3' 133.289 11.324 . 0.01 1a . 0.52000000000000002 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.463 " H3'" ' C5 ' ' A' ' 15' ' ' ' U' . . . . . . . . 1 C4'--C3' 1.479 -4.097 3 P-O5'-C5' 134.112 8.257 OUTLIER-EPSILON 0.291 1a . 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ' U' . . . . . 0.463 ' C5 ' " H3'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 P--O5' 1.627 3.383 4 P-O3'-C3' 135.299 12.999 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.566 4.286 3 P-O3'-C3' 128.326 7.189 . 0.017 1z . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.469 3.26 4 P-O3'-C3' 141.039 17.782 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ' G' . . . . . 0.599 " H2'" " O4'" ' A' ' 19' ' ' ' G' . . . . . . . . 3 P--O5' 1.649 5.565 4 P-O5'-C5' 143.583 14.177 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ' G' . . . . . 0.638 " H2'" ' C6 ' ' A' ' 20' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.566 3.685 4 P-O3'-C3' 135.712 13.344 . 0.102 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . 0.638 ' C6 ' " H2'" ' A' ' 19' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.569 4.561 2 P-O5'-C5' 136.567 9.792 . 0.159 1a . 0.52000000000000002 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ' A' . . . . . 0.787 " H2'" ' C6 ' ' A' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.633 3.964 3 P-O3'-C3' 125.527 4.856 . 0.734 1a . 0.52000000000000002 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . 0.787 ' C6 ' " H2'" ' A' ' 21' ' ' ' A' . . . . . . . . 3 C5'--C4' 1.595 6.524 4 O5'-C5'-C4' 119.618 6.727 . 0.695 1a . 0.52000000000000002 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ' U' . . . . . 0.612 ' C4 ' ' HD2' ' B' ' 6' ' ' ARG . . . . . . . . 0 P--O3' 1.638 2.547 3 P-O5'-C5' 131.245 6.466 OUTLIER-DELTA 0.0 OUTLIER delta 0.52000000000000002 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . 0.426 ' OP1' ' NH2' ' B' ' 9' ' ' ARG . . . . . . . . 0 P--O5' 1.624 3.062 3 P-O5'-C5' 136.5 9.75 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.52000000000000002 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.418 3 P-O3'-C3' 127.961 6.884 . 0.0 OUTLIER '7D dist 6j' 0.52000000000000002 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ' A' . . . . . 0.449 " H2'" ' C8 ' ' A' ' 27' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.562 4.03 3 P-O3'-C3' 126.787 5.906 . 0.701 1a . 0.52000000000000002 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ' G' . . . . . 0.449 ' C8 ' " H2'" ' A' ' 26' ' ' ' A' . . . . . . . . 1 C5'--C4' 1.584 5.717 5 P-O5'-C5' 142.08 13.238 . 0.479 1a . 0.52000000000000002 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.467 4.393 2 P-O3'-C3' 134.186 12.072 OUTLIER-EPSILON 0.0 OUTLIER . 0.52000000000000002 . . . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.456 3.315 2 P-O3'-C3' 138.525 15.688 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.52000000000000002 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.562 -3.726 3 P-O3'-C3' 142.002 18.585 . 0.0 OUTLIER epsilon-1 0.52000000000000002 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.664 7.132 4 O5'-C5'-C4' 119.465 6.618 . 0.0 OUTLIER '7D dist 1c' 0.52000000000000002 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.571 4.667 4 P-O3'-C3' 136.583 14.069 . 0.0 OUTLIER '7D dist 1c' 0.52000000000000002 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ' G' . . . . . 0.426 ' C4 ' ' C5 ' ' A' ' 34' ' ' ' C' . . . . . . . . 2 C5'--C4' 1.581 5.439 3 P-O5'-C5' 131.71 6.756 . 0.627 1a . 0.52000000000000002 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ' C' . . . . . 0.426 ' C5 ' ' C4 ' ' A' ' 33' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.552 3.248 2 P-O5'-C5' 131.671 6.732 . 0.01 1m . 0.52000000000000002 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.643 4.968 4 P-O3'-C3' 133.586 11.572 . 0.097 1a . 0.52000000000000002 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.535 3.801 0 CA-C-O 123.061 1.41 . . . . 0.52000000000000002 109.521 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.45 ' CZ ' ' C4 ' ' A' ' 23' ' ' ' U' . 16.4 ttp85 -57.73 -38.04 74.61 Favored 'General case' 0 CA--C 1.579 2.064 0 O-C-N 118.313 -2.742 . . . . 0.52000000000000002 108.252 166.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.589 HE21 ' ND2' ' B' ' 7' ' ' ASN . 56.0 tp60 -61.55 -29.92 70.32 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 128.867 2.867 . . . . 0.52000000000000002 110.837 174.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.43 ' HB1' ' OP2' ' A' ' 5' ' ' ' G' . . . -61.64 -52.2 65.33 Favored 'General case' 0 CA--C 1.601 2.918 0 CA-C-N 121.437 1.926 . . . . 0.52000000000000002 107.008 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.497 HH21 ' P ' ' A' ' 23' ' ' ' U' . 85.9 mtm-85 -60.1 -36.85 78.34 Favored 'General case' 0 C--N 1.376 1.727 0 O-C-N 118.65 -2.531 . . . . 0.52000000000000002 113.325 177.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.612 ' HD2' ' C4 ' ' A' ' 23' ' ' ' U' . 0.0 OUTLIER -62.91 -55.41 26.28 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 130.427 3.491 . . . . 0.52000000000000002 104.876 175.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ASN . . . . . 0.589 ' ND2' HE21 ' B' ' 3' ' ' GLN . 3.4 m-20 -48.45 -32.23 7.46 Favored 'General case' 0 C--N 1.366 1.316 0 CA-C-O 115.157 -2.354 . . . . 0.52000000000000002 114.048 172.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -73.3 0.07 Allowed 'General case' 0 C--N 1.39 2.357 0 CA-C-N 121.763 2.074 . . . . 0.52000000000000002 109.712 173.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.447 ' C ' ' H ' ' B' ' 11' ' ' ARG 0.27 0.1 OUTLIER -63.54 -46.86 84.05 Favored 'General case' 0 C--N 1.379 1.871 0 CA-C-O 115.629 -2.129 . . . . 0.52000000000000002 114.555 178.443 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . 0.319 0.0 OUTLIER -64.71 38.54 0.02 OUTLIER 'General case' 0 CA--C 1.585 2.317 0 C-N-CA 130.034 3.334 . . . . 0.52000000000000002 110.981 176.629 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.447 ' H ' ' C ' ' B' ' 9' ' ' ARG . 60.9 mtt-85 -159.84 -74.91 0.07 Allowed 'General case' 0 C--N 1.361 1.1 1 C-N-CA 134.366 5.066 . . . . 0.52000000000000002 106.282 179.254 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' TRP . . . . . . . . . . . . 0.293 57.4 m95 -68.6 -18.83 64.4 Favored 'General case' 0 C--N 1.373 1.612 0 N-CA-C 118.595 2.813 . . . . 0.52000000000000002 118.595 -178.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -95.78 -15.59 22.46 Favored 'General case' 0 CA--C 1.569 1.675 0 C-N-CA 128.281 2.633 . . . . 0.52000000000000002 111.792 173.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.425 ' OE1' ' NH1' ' B' ' 17' ' ' ARG . 23.3 mm-40 -66.79 -27.83 67.89 Favored 'General case' 0 C--N 1.367 1.345 0 C-N-CA 129.472 3.109 . . . . 0.52000000000000002 112.698 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.435 ' NH2' ' OP1' ' A' ' 3' ' ' ' C' . 0.6 OUTLIER -61.98 -10.47 9.86 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 128.445 2.698 . . . . 0.52000000000000002 111.851 173.425 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -111.48 -67.32 1.01 Allowed 'General case' 0 C--N 1.37 1.46 0 C-N-CA 131.011 3.724 . . . . 0.52000000000000002 106.978 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.425 ' NH1' ' OE1' ' B' ' 14' ' ' GLU . 34.7 ttt-85 . . . . . 0 CA--C 1.565 1.546 0 C-N-CA 127.937 2.495 . . . . 0.52000000000000002 109.704 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.461 2.715 2 C3'-C2'-C1' 106.109 5.121 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.464 " H2'" ' C6 ' ' A' ' 3' ' ' ' C' . . . . . . . . 3 P--O5' 1.656 6.314 5 O5'-C5'-C4' 120.131 7.094 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.577 " H2'" ' C6 ' ' A' ' 4' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.556 3.563 2 P-O5'-C5' 140.667 12.354 . 0.113 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . 0.577 ' C6 ' " H2'" ' A' ' 3' ' ' ' C' . . . . . . . . 1 P--O5' 1.634 4.135 3 P-O5'-C5' 154.793 21.183 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . 0.598 HO2' ' H8 ' ' A' ' 6' ' ' ' G' . . . . . . . . 2 P--O5' 1.657 6.366 4 P-O3'-C3' 135.531 13.193 . 0.154 1t . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.598 ' H8 ' HO2' ' A' ' 5' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.465 2.968 4 P-O3'-C3' 135.597 13.248 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ' A' . . . . . 0.414 ' H62' ' HG3' ' B' ' 3' ' ' GLN . . . . . . . . 1 C5'--C4' 1.567 4.398 2 P-O5'-C5' 135.19 8.931 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ' C' . . . . . 0.424 ' C4 ' ' C4 ' ' A' ' 9' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.442 4 P-O5'-C5' 135.509 9.13 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ' U' . . . . . 0.424 ' C4 ' ' C4 ' ' A' ' 8' ' ' ' C' . . . . . . . . 2 C5'--C4' 1.574 4.891 6 P-O3'-C3' 147.512 23.177 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.573 4.873 2 P-O3'-C3' 138.746 15.871 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.465 2.987 2 P-O3'-C3' 137.614 14.929 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.572 4.743 2 P-O5'-C5' 129.868 5.605 . 0.393 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . 0.613 " H2'" ' C6 ' ' A' ' 14' ' ' ' C' . . . . . . . . 2 P--O5' 1.667 7.447 3 O5'-C5'-C4' 119.59 6.707 . 0.908 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.613 ' C6 ' " H2'" ' A' ' 13' ' ' ' A' . . . . . . . . 0 C2'--C1' 1.492 -3.593 3 O4'-C1'-N19 118.357 10.157 OUTLIER-EPSILON 0.151 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ' U' . . . . . 0.427 ' C6 ' " H2'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.067 4 P-O3'-C3' 133.248 11.29 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.485 -3.681 6 P-O3'-C3' 133.105 11.171 . 0.01 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.49 -3.85 2 C4'-C3'-C2' 107.7 5.0 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ' G' . . . . . 0.471 ' C2 ' ' C5 ' ' A' ' 19' ' ' ' G' . . . . . . . . 3 P--O5' 1.679 8.557 4 P-O3'-C3' 141.586 18.238 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ' G' . . . . . 0.708 " H2'" ' C6 ' ' A' ' 20' ' ' ' U' . . . . . . . . 2 C5'--C4' 1.579 5.274 3 P-O3'-C3' 129.528 8.19 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . 0.708 ' C6 ' " H2'" ' A' ' 19' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.555 3.5 4 P-O3'-C3' 129.955 8.545 . 0.085 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ' A' . . . . . 0.541 " H2'" ' C6 ' ' A' ' 22' ' ' ' C' . . . . . . . . 2 P--O5' 1.672 7.947 3 P-O5'-C5' 132.636 7.335 . 0.536 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . 0.541 ' C6 ' " H2'" ' A' ' 21' ' ' ' A' . . . . . . . . 2 P--O5' 1.668 7.536 3 O5'-C5'-C4' 121.015 7.725 . 0.63 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ' U' . . . . . 0.42 ' OP2' ' NH2' ' B' ' 5' ' ' ARG . . . . . . . . 0 C4'--C3' 1.551 2.477 2 P-O3'-C3' 135.642 13.285 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.508 -1.557 3 P-O3'-C3' 131.733 10.028 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.831 2 P-O3'-C3' 129.386 8.072 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ' A' . . . . . 0.675 " H2'" ' C8 ' ' A' ' 27' ' ' ' G' . . . . . . . . 2 C5'--C4' 1.581 5.49 4 P-O5'-C5' 142.844 13.715 . 0.407 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ' G' . . . . . 0.675 ' C8 ' " H2'" ' A' ' 26' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.558 3.723 2 P-O5'-C5' 141.252 12.72 . 0.351 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.579 5.313 5 P-O3'-C3' 137.401 14.751 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.5 -2.188 2 P-O5'-C5' 138.252 10.845 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.552 -4.59 4 P-O3'-C3' 138.749 15.875 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.567 4.406 3 P-O5'-C5' 132.394 7.184 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ' A' . . . . . 0.541 ' C6 ' ' C6 ' ' A' ' 33' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.55 3.075 1 P-O5'-C5' 142.403 13.44 . 0.28 1m . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ' G' . . . . . 0.541 ' C6 ' ' C6 ' ' A' ' 32' ' ' ' A' . . . . . . . . 0 P--O5' 1.626 3.268 1 P-O3'-C3' 126.876 5.98 . 0.182 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ' C' . . . . . 0.418 ' N4 ' ' C6 ' ' A' ' 33' ' ' ' G' . . . . . . . . 1 P--O5' 1.646 5.258 2 P-O3'-C3' 129.439 8.115 . 0.438 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.649 5.605 2 O4'-C1'-N19 121.199 12.999 . 0.01 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 1 N--CA 1.551 4.606 0 N-CA-C 121.784 3.994 . . . . 0.0 121.784 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 29.9 ttt-85 -75.28 -24.87 57.58 Favored 'General case' 0 C--N 1.389 2.3 0 O-C-N 118.751 -2.468 . . . . 0.0 109.641 176.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.414 ' HG3' ' H62' ' A' ' 7' ' ' ' A' 0.371 2.8 mm-40 -55.01 -29.67 57.84 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 126.521 1.928 . . . . 0.0 114.862 179.833 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.469 ' HA ' " H2'" ' A' ' 5' ' ' ' G' . . . -42.99 -53.16 4.91 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 127.704 2.402 . . . . 0.0 111.983 173.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.42 ' NH2' ' OP2' ' A' ' 23' ' ' ' U' . 32.0 mtm105 -75.92 -40.34 54.41 Favored 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 129.776 3.231 . . . . 0.0 111.165 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.416 ' HD2' ' C4 ' ' A' ' 23' ' ' ' U' . 14.3 ttt85 -57.17 -37.62 72.37 Favored 'General case' 0 C--N 1.381 1.94 0 C-N-CA 128.096 2.558 . . . . 0.0 108.798 173.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . 0.277 35.0 m-20 -65.71 -51.74 56.91 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 130.697 3.599 . . . . 0.0 107.579 174.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -57.33 -55.48 34.29 Favored 'General case' 0 C--N 1.392 2.429 0 CA-C-N 122.44 2.382 . . . . 0.0 109.951 172.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.49 29.4 0.1 Allowed 'General case' 0 C--N 1.364 1.2 0 N-CA-C 117.93 2.567 . . . . 0.0 117.93 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.503 ' O ' ' HG2' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -125.15 -77.46 0.59 Allowed 'General case' 0 C--N 1.355 0.845 0 C-N-CA 130.763 3.625 . . . . 0.0 101.616 174.028 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . 0.271 43.4 mtt-85 -48.98 -35.98 16.5 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 117.11 2.263 . . . . 0.0 117.11 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -100.94 15.09 29.75 Favored 'General case' 0 CA--C 1.58 2.118 0 C-N-CA 126.236 1.815 . . . . 0.0 112.029 174.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.438 HH22 ' P ' ' A' ' 26' ' ' ' A' . 2.3 tmt_? -123.88 -39.14 2.42 Favored 'General case' 0 C--N 1.373 1.62 0 C-N-CA 127.423 2.289 . . . . 0.0 112.698 -176.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' B' ' 10' ' ' ARG . 6.3 mm-40 -57.18 -12.35 2.22 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 128.251 2.62 . . . . 0.0 113.433 177.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . 0.255 94.5 mtt180 -87.4 -5.28 58.92 Favored 'General case' 0 CA--C 1.598 2.811 1 C-N-CA 132.657 4.383 . . . . 0.0 113.806 177.717 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -105.71 -61.42 1.5 Allowed 'General case' 0 C--N 1.373 1.629 1 C-N-CA 134.067 4.947 . . . . 0.0 108.585 177.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? . . . . . 0 C--N 1.385 2.132 0 C-N-CA 126.661 1.985 . . . . 0.0 109.036 179.869 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . 0.425 HO2' ' H8 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.448 1.804 1 O4'-C1'-N19 113.689 5.489 . 0.0 '__' . 0.37 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.425 ' H8 ' HO2' ' A' ' 1' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.554 3.349 2 P-O3'-C3' 133.37 11.392 . 0.0 OUTLIER . 0.37 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.72 " H2'" ' C6 ' ' A' ' 4' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.562 3.969 3 P-O5'-C5' 144.134 14.521 . 0.173 &a . 0.37 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . 0.72 ' C6 ' " H2'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.557 3.652 2 P-O5'-C5' 130.901 6.251 . 0.131 1a . 0.37 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . 0.555 " H2'" ' HA ' ' B' ' 4' ' ' ALA . . . . . . . . 1 C5'--C4' 1.59 6.186 4 P-O3'-C3' 134.254 12.128 . 0.0 OUTLIER . 0.37 . . . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.565 4 P-O3'-C3' 133.98 11.9 . 0.0 OUTLIER '7D dist 4a' 0.37 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.568 4.44 1 P-O5'-C5' 131.962 6.914 . 0.104 1c . 0.37 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ' C' . . . . . 0.419 " H2'" ' C6 ' ' A' ' 9' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.543 2.522 5 P-O5'-C5' 138.74 11.15 OUTLIER-EPSILON 0.319 1a . 0.37 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ' U' . . . . . 0.419 ' C6 ' " H2'" ' A' ' 8' ' ' ' C' . . . . . . . . 2 P--O5' 1.646 5.337 6 P-O3'-C3' 142.663 19.136 . 0.0 OUTLIER epsilon-1 0.37 . . . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ' C' . . . . . 0.428 " H2'" ' C8 ' ' A' ' 11' ' ' ' G' . . . . . . . . 1 P--O5' 1.637 4.413 3 P-O3'-C3' 133.838 11.782 . 0.408 1c . 0.37 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . 0.663 " H2'" ' C6 ' ' A' ' 12' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.548 2.944 2 P-O5'-C5' 138.084 10.74 . 0.117 1a . 0.37 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . 0.663 ' C6 ' " H2'" ' A' ' 11' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.558 3.68 1 P-O3'-C3' 136.415 13.929 . 0.068 1c . 0.37 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . 0.513 ' C2 ' ' N3 ' ' A' ' 21' ' ' ' A' . . . . . . . . 3 P--O5' 1.647 5.367 3 O5'-C5'-C4' 119.416 6.583 . 0.15 1a . 0.37 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.505 ' C5 ' ' C5 ' ' A' ' 13' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.484 -3.643 3 O4'-C1'-N19 114.511 6.311 OUTLIER-EPSILON 0.356 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ' U' . . . . . 0.416 ' C5 ' " H3'" ' A' ' 14' ' ' ' C' . . . . . . . . 1 C2'--C1' 1.487 -4.093 3 P-O3'-C3' 136.667 14.139 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.499 -2.904 2 C5'-C4'-C3' 124.557 6.038 . 0.11 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.472 3.481 2 O4'-C1'-N19 114.114 5.914 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.571 4.695 4 P-O3'-C3' 139.478 16.481 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ' G' . . . . . 0.574 " H2'" ' C6 ' ' A' ' 20' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.556 3.545 2 P-O3'-C3' 135.278 12.981 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . 0.574 ' C6 ' " H2'" ' A' ' 19' ' ' ' G' . . . . . . . . 3 P--O5' 1.649 5.581 2 O5'-C5'-C4' 119.107 6.362 . 0.692 1L . 0.37 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ' A' . . . . . 0.62 ' C4 ' ' C5 ' ' A' ' 22' ' ' ' C' . . . . . . . . 0 P--O3' 1.655 3.968 1 N19-C1'-C2' 124.516 6.948 . 0.409 1a . 0.37 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . 0.62 ' C5 ' ' C4 ' ' A' ' 21' ' ' ' A' . . . . . . . . 1 C5'--C4' 1.563 4.101 1 P-O5'-C5' 143.923 14.389 . 0.822 1a . 0.37 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ' U' . . . . . 0.711 ' C4 ' ' HD2' ' B' ' 6' ' ' ARG . . . . . . . . 0 C2'--O2' 1.432 1.472 4 P-O3'-C3' 132.439 10.616 OUTLIER-DELTA 0.0 OUTLIER gamma 0.37 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . 0.407 ' OP1' ' NH1' ' B' ' 5' ' ' ARG . . . . . . . . 1 C5'--C4' 1.575 4.992 4 P-O3'-C3' 139.107 16.172 . 0.0 OUTLIER . 0.37 . . . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . 0.453 ' C8 ' ' C2 ' ' A' ' 23' ' ' ' U' . . . . . . . . 0 O3'--C3' 1.468 3.222 3 P-O5'-C5' 129.526 5.391 . 0.0 OUTLIER gamma 0.37 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.564 4.171 5 P-O3'-C3' 129.732 8.36 . 0.158 1a . 0.37 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.601 7.02 3 P-O3'-C3' 137.449 14.791 . 0.227 1a . 0.37 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.452 2.106 1 P-O3'-C3' 126.486 5.655 OUTLIER-EPSILON 0.0 OUTLIER . 0.37 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.585 5.46 4 P-O3'-C3' 138.787 15.906 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.37 . . . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ' A' . . . . . 0.573 ' C2 ' " H1'" ' A' ' 31' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.556 3.536 3 P-O3'-C3' 136.226 13.771 . 0.0 OUTLIER epsilon-1 0.37 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ' C' . . . . . 0.573 " H1'" ' C2 ' ' A' ' 30' ' ' ' A' . . . . . . . . 3 P--O5' 1.678 8.465 6 P-O5'-C5' 139.22 11.45 . 0.0 OUTLIER . 0.37 . . . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ' A' . . . . . 0.434 ' H62' ' N4 ' ' A' ' 31' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.557 3.609 3 P-O3'-C3' 131.115 9.512 . 0.0 OUTLIER . 0.37 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ' G' . . . . . 0.534 ' C5 ' ' C5 ' ' A' ' 34' ' ' ' C' . . . . . . . . 0 C2'--O2' 1.447 2.601 1 O5'-C5'-C4' 115.883 4.06 . 0.294 1a . 0.37 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ' C' . . . . . 0.534 ' C5 ' ' C5 ' ' A' ' 33' ' ' ' G' . . . . . . . . 2 O4'--C1' 1.465 4.263 4 P-O3'-C3' 151.377 26.398 . 0.0 OUTLIER . 0.37 . . . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.567 3.865 1 P-O5'-C5' 133.723 8.014 . 0.397 1a . 0.37 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . 0.677 HG23 ' H ' ' B' ' 3' ' ' GLN . 5.7 t . . . . . 0 N--CA 1.501 2.105 0 CA-C-O 122.064 0.935 . . . . 0.37 109.013 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.45 ' HD3' ' OP2' ' A' ' 22' ' ' ' C' . 52.7 ttp85 -61.54 -27.94 68.97 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.285 -1.509 . . . . 0.37 110.327 173.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.677 ' H ' HG23 ' B' ' 1' ' ' THR . 1.7 mp0 -78.97 -6.48 56.38 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 128.077 2.551 . . . . 0.37 113.204 175.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.555 ' HA ' " H2'" ' A' ' 5' ' ' ' G' . . . -76.28 -51.64 11.6 Favored 'General case' 0 C--N 1.386 2.18 0 CA-C-N 120.81 1.641 . . . . 0.37 109.318 177.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.429 ' NE ' ' OP1' ' A' ' 23' ' ' ' U' . 5.6 mmm180 -49.0 -51.25 31.76 Favored 'General case' 0 C--N 1.381 1.967 0 C-N-CA 128.933 2.893 . . . . 0.37 105.331 171.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.711 ' HD2' ' C4 ' ' A' ' 23' ' ' ' U' . 0.0 OUTLIER -62.35 -0.57 0.59 Allowed 'General case' 0 C--N 1.386 2.164 0 N-CA-C 117.051 2.241 . . . . 0.37 117.051 176.359 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -122.93 -44.15 2.2 Favored 'General case' 0 CA--C 1.559 1.307 0 O-C-N 118.795 -2.44 . . . . 0.37 111.931 174.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.419 ' HB2' ' OP2' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -63.15 -63.01 1.32 Allowed 'General case' 0 C--N 1.377 1.783 0 C-N-CA 125.61 1.564 . . . . 0.37 111.692 178.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -51.14 71.23 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 125.61 1.564 . . . . 0.37 108.855 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.452 ' HA ' ' HB3' ' B' ' 13' ' ' ARG . 1.1 tmm_? -46.25 -60.9 2.03 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 129.615 3.166 . . . . 0.37 114.666 176.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.449 HH11 ' HB3' ' B' ' 11' ' ' ARG 0.396 0.0 OUTLIER -54.75 -43.42 72.69 Favored 'General case' 0 C--N 1.379 1.887 0 CA-C-N 123.349 2.795 . . . . 0.37 113.265 -178.575 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' TRP . . . . . . . . . . . . 0.279 8.3 t-105 -68.42 -47.76 66.39 Favored 'General case' 0 C--N 1.379 1.855 0 CA-C-N 120.754 1.616 . . . . 0.37 110.73 171.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.452 ' HB3' ' HA ' ' B' ' 10' ' ' ARG . 8.9 ttp180 -52.34 -55.32 22.32 Favored 'General case' 0 C--N 1.389 2.305 1 C-N-CA 133.299 4.639 . . . . 0.37 115.782 178.171 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.419 ' OE1' ' NE ' ' B' ' 17' ' ' ARG 0.298 67.3 mm-40 -44.72 -38.48 4.44 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 126.76 2.024 . . . . 0.37 112.779 179.704 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 77.8 mtm-85 -56.98 -21.68 32.37 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 127.951 2.5 . . . . 0.37 114.464 173.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -89.01 -54.65 4.02 Favored 'General case' 0 C--N 1.372 1.546 0 C-N-CA 127.393 2.277 . . . . 0.37 108.272 173.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.419 ' NE ' ' OE1' ' B' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.378 1.814 1 C-N-CA 133.358 4.663 . . . . 0.37 104.503 177.405 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.438 1.957 0 O4'-C4'-C3' 102.312 -2.277 . 0.0 '__' . 0.27000000000000002 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.432 ' OP2' ' NH2' ' B' ' 11' ' ' ARG . . . . . . . . 1 P--O5' 1.645 5.187 3 O5'-C5'-C4' 118.775 6.125 . 0.449 1a . 0.27000000000000002 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.7 " H2'" ' C6 ' ' A' ' 4' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.573 4.842 3 P-O5'-C5' 147.083 16.364 . 0.027 1m . 0.27000000000000002 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . 0.7 ' C6 ' " H2'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 P--O3' 1.647 3.311 4 P-O5'-C5' 130.324 5.89 . 0.099 1a . 0.27000000000000002 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . 0.668 " H2'" ' HA ' ' B' ' 4' ' ' ALA . . . . . . . . 2 C5'--C4' 1.616 8.163 7 P-O5'-C5' 142.93 13.769 . 0.0 OUTLIER '7D dist 1b' 0.27000000000000002 . . . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.578 4.961 6 P-O3'-C3' 136.267 13.806 . 0.166 4n . 0.27000000000000002 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.573 4.82 2 P-O5'-C5' 137.541 10.401 . 0.0 OUTLIER . 0.27000000000000002 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ' C' . . . . . 0.649 " H2'" ' C6 ' ' A' ' 9' ' ' ' U' . . . . . . . . 2 C5'--C4' 1.59 6.167 3 P-O5'-C5' 129.703 5.502 . 0.0 OUTLIER '7D dist 1c' 0.27000000000000002 . . . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ' U' . . . . . 0.649 ' C6 ' " H2'" ' A' ' 8' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.456 3.495 4 P-O5'-C5' 139.75 11.781 OUTLIER-EPSILON 0.0 OUTLIER . 0.27000000000000002 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ' C' . . . . . 0.401 ' C5 ' ' C4 ' ' A' ' 9' ' ' ' U' . . . . . . . . 2 P--O5' 1.647 5.372 2 P-O3'-C3' 146.26 22.133 . 0.0 OUTLIER epsilon-1 0.27000000000000002 . . . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . 0.471 " H2'" ' C6 ' ' A' ' 12' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.557 3.618 2 P-O5'-C5' 139.545 11.653 OUTLIER-EPSILON 0.206 1a . 0.27000000000000002 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . 0.471 ' C6 ' " H2'" ' A' ' 11' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.475 3.684 2 P-O3'-C3' 136.894 14.328 . 0.0 OUTLIER epsilon-1 0.27000000000000002 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . 0.586 " H2'" ' C6 ' ' A' ' 14' ' ' ' C' . . . . . . . . 2 C5'--C4' 1.586 5.838 2 P-O5'-C5' 134.295 8.372 . 0.308 1a . 0.27000000000000002 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.586 ' C6 ' " H2'" ' A' ' 13' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.557 3.629 5 P-O3'-C3' 129.308 8.007 OUTLIER-EPSILON 0.361 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ' U' . . . . . 0.456 ' C5 ' " H3'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.451 3.088 4 P-O3'-C3' 138.398 15.582 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ' U' . . . . . 0.413 H5'' ' C5 ' ' A' ' 17' ' ' ' C' . . . . . . . . 2 C5'--C4' 1.609 7.595 4 P-O5'-C5' 138.698 11.124 . 0.013 1z . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ' C' . . . . . 0.413 ' C5 ' H5'' ' A' ' 16' ' ' ' U' . . . . . . . . 2 O3'--C3' 1.496 5.214 3 P-O3'-C3' 137.101 14.501 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ' G' . . . . . 0.492 ' C2 ' ' C5 ' ' A' ' 19' ' ' ' G' . . . . . . . . 4 P--O5' 1.667 7.359 4 P-O3'-C3' 137.283 14.652 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ' G' . . . . . 0.562 " H2'" ' C6 ' ' A' ' 20' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.572 4.786 2 P-O3'-C3' 128.616 7.43 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . 0.695 " H2'" ' H8 ' ' A' ' 21' ' ' ' A' . . . . . . . . 0 C2'--C1' 1.499 -2.857 3 P-O3'-C3' 132.234 10.445 . 0.193 1a . 0.27000000000000002 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ' A' . . . . . 0.695 ' H8 ' " H2'" ' A' ' 20' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.571 4.729 3 P-O5'-C5' 143.468 14.105 . 0.292 1a . 0.27000000000000002 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . 0.594 ' C6 ' " H2'" ' A' ' 21' ' ' ' A' . . . . . . . . 2 C5'--C4' 1.58 5.375 5 P-O5'-C5' 133.753 8.033 . 0.623 1a . 0.27000000000000002 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ' U' . . . . . 0.501 ' C5 ' ' HB2' ' B' ' 6' ' ' ARG . . . . . . . . 0 C2'--C1' 1.56 3.2 3 P-O5'-C5' 130.811 6.194 OUTLIER-DELTA 0.0 OUTLIER delta 0.27000000000000002 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . 0.434 ' OP2' ' NH1' ' B' ' 9' ' ' ARG . . . . . . . . 1 P--O3' 1.664 4.749 3 P-O3'-C3' 131.876 10.147 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.27000000000000002 . . . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.462 2.753 1 P-O3'-C3' 128.011 6.926 . 0.057 1f . 0.27000000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ' A' . . . . . 0.572 " H2'" ' C8 ' ' A' ' 27' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.587 5.935 5 P-O5'-C5' 150.416 18.447 . 0.0 OUTLIER gamma 0.27000000000000002 . . . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ' G' . . . . . 0.572 ' C8 ' " H2'" ' A' ' 26' ' ' ' A' . . . . . . . . 1 C5'--C4' 1.577 5.116 4 P-O5'-C5' 131.791 6.807 OUTLIER-EPSILON 0.125 1a . 0.27000000000000002 . . . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ' A' . . . . . 0.51 " H2'" " H3'" ' A' ' 27' ' ' ' G' . . . . . . . . 1 C3'--C2' 1.574 4.451 5 P-O3'-C3' 139.818 16.765 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.27000000000000002 . . . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.463 3.868 1 C4'-C3'-C2' 107.237 4.537 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.27000000000000002 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ' A' . . . . . 0.423 ' H8 ' ' OP2' ' A' ' 30' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.562 3.977 6 P-O3'-C3' 139.236 16.28 . 0.0 OUTLIER epsilon-1 0.27000000000000002 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ' C' . . . . . 0.404 " O4'" " H2'" ' A' ' 30' ' ' ' A' . . . . . . . . 1 C5'--C4' 1.573 4.851 2 N19-C1'-C2' 121.358 4.974 . 0.0 OUTLIER . 0.27000000000000002 . . . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ' A' . . . . . 0.487 " H2'" ' C8 ' ' A' ' 33' ' ' ' G' . . . . . . . . 0 C3'--C2' 1.497 -2.519 3 P-O5'-C5' 139.406 11.567 . 0.01 1m . 0.27000000000000002 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ' G' . . . . . 0.487 ' C8 ' " H2'" ' A' ' 32' ' ' ' A' . . . . . . . . 0 C2'--O2' 1.446 2.569 1 P-O3'-C3' 125.98 5.233 . 0.435 1a . 0.27000000000000002 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.566 3.774 2 P-O3'-C3' 139.306 16.338 . 0.059 1a . 0.27000000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.647 5.38 3 O4'-C1'-N19 120.645 12.445 . 0.01 1a . 0.27000000000000002 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.526 3.374 0 N-CA-C 114.421 1.267 . . . . 0.27000000000000002 114.421 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.431 ' HD2' ' C6 ' ' A' ' 22' ' ' ' C' . 14.0 ttp85 -59.5 -33.11 70.93 Favored 'General case' 0 C--N 1.383 2.033 0 C-N-CA 128.109 2.564 . . . . 0.27000000000000002 110.19 174.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -8.08 2.93 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 128.045 2.538 . . . . 0.27000000000000002 115.07 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.668 ' HA ' " H2'" ' A' ' 5' ' ' ' G' . . . -76.77 -75.76 0.19 Allowed 'General case' 0 C--N 1.359 1.004 0 N-CA-C 105.305 -2.109 . . . . 0.27000000000000002 105.305 171.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -26.64 -51.12 0.05 OUTLIER 'General case' 0 C--N 1.382 1.989 1 C-N-CA 132.443 4.297 . . . . 0.27000000000000002 114.32 174.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.528 HH12 " H3'" ' A' ' 26' ' ' ' A' 0.283 3.9 tpm_? -48.32 -38.65 19.58 Favored 'General case' 0 C--N 1.376 1.722 1 C-N-CA 134.896 5.278 . . . . 0.27000000000000002 115.017 173.451 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -97.71 -42.42 7.63 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 131.119 3.768 . . . . 0.27000000000000002 107.879 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.409 ' HB2' ' OP2' ' A' ' 5' ' ' ' G' . 0.0 OUTLIER -64.21 -46.71 82.68 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 122.282 2.31 . . . . 0.27000000000000002 114.908 178.001 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.434 ' NH1' ' OP2' ' A' ' 24' ' ' ' G' . 0.7 OUTLIER -68.77 -23.71 64.34 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 119.176 -2.203 . . . . 0.27000000000000002 111.146 176.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' B' ' 14' ' ' GLU . 4.1 tmm_? -65.75 -65.39 0.68 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 127.639 2.375 . . . . 0.27000000000000002 110.525 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.453 ' NH1' ' OP2' ' A' ' 3' ' ' ' C' . 1.0 OUTLIER -56.47 -31.45 64.02 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 124.329 1.052 . . . . 0.27000000000000002 113.408 178.378 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -82.93 -36.02 25.57 Favored 'General case' 0 CA--C 1.554 1.111 0 O-C-N 119.398 -2.064 . . . . 0.27000000000000002 110.492 175.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . 0.445 0.1 OUTLIER -62.38 -48.57 79.16 Favored 'General case' 0 C--N 1.387 2.203 0 O-C-N 118.814 -2.429 . . . . 0.27000000000000002 110.546 177.156 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.45 ' CD ' HH21 ' B' ' 17' ' ' ARG . 0.9 OUTLIER -34.88 -42.18 0.15 Allowed 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 127.156 2.182 . . . . 0.27000000000000002 114.159 174.845 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -38.89 78.37 Favored 'General case' 0 C--N 1.372 1.557 0 C-N-CA 126.796 2.039 . . . . 0.27000000000000002 114.039 176.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . 0.251 0.0 OUTLIER -89.2 -43.03 11.3 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 126.721 2.008 . . . . 0.27000000000000002 109.757 172.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.45 HH21 ' CD ' ' B' ' 14' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.373 1.591 0 C-N-CA 129.955 3.302 . . . . 0.27000000000000002 105.263 176.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.433 1.552 0 C3'-C2'-C1' 104.378 3.198 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.717 " H2'" ' C6 ' ' A' ' 3' ' ' ' C' . . . . . . . . 2 P--O5' 1.643 4.962 2 P-O3'-C3' 136.925 14.354 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.717 ' C6 ' " H2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.561 3.349 2 P-O5'-C5' 133.065 7.603 OUTLIER-EPSILON 0.255 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . 0.712 " H2'" ' C8 ' ' A' ' 5' ' ' ' G' . . . . . . . . 2 C5'--C4' 1.581 5.442 3 P-O3'-C3' 142.79 19.242 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . 0.793 " H3'" ' HB2' ' B' ' 4' ' ' ALA . . . . . . . . 1 C5'--C4' 1.577 5.12 4 P-O3'-C3' 139.03 16.108 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.536 3 P-O5'-C5' 141.252 12.72 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.645 5.176 4 O5'-C5'-C4' 118.744 6.103 . 0.247 1c . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ' C' . . . . . 0.607 " H2'" ' C6 ' ' A' ' 9' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.556 3.51 3 P-O5'-C5' 135.979 9.425 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ' U' . . . . . 0.607 ' C6 ' " H2'" ' A' ' 8' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.554 3.352 4 P-O5'-C5' 135.258 8.973 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ' C' . . . . . 0.573 " H2'" ' C8 ' ' A' ' 11' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.56 3.814 3 P-O3'-C3' 139.488 16.49 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . 0.717 " H2'" ' C6 ' ' A' ' 12' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.561 3.926 2 P-O5'-C5' 135.248 8.968 . 0.278 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . 0.717 ' C6 ' " H2'" ' A' ' 11' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.741 3 P-O3'-C3' 129.859 8.465 . 0.197 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . 0.485 ' C2 ' ' N3 ' ' A' ' 21' ' ' ' A' . . . . . . . . 2 P--O5' 1.654 6.094 4 P-O3'-C3' 129.417 8.098 . 0.164 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.42 " O4'" " H2'" ' A' ' 13' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.552 3.229 2 P-O5'-C5' 134.441 8.463 . 0.443 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ' U' . . . . . 0.505 " H2'" ' C5 ' ' A' ' 17' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.565 4.193 3 P-O5'-C5' 145.359 15.287 . 0.776 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.581 5.464 5 P-O5'-C5' 134.807 8.692 . 0.124 1z . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ' C' . . . . . 0.505 ' C5 ' " H2'" ' A' ' 15' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.564 3.532 2 P-O3'-C3' 140.252 17.127 OUTLIER-EPSILON 0.013 2a . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.664 7.115 6 P-O3'-C3' 138.25 15.458 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ' G' . . . . . 0.743 " H2'" ' C6 ' ' A' ' 20' ' ' ' U' . . . . . . . . 4 P--O5' 1.654 6.09 3 P-O3'-C3' 134.413 12.261 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . 0.743 ' C6 ' " H2'" ' A' ' 19' ' ' ' G' . . . . . . . . 0 P--O3' 1.654 3.892 3 P-O3'-C3' 136.899 14.332 . 0.282 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ' A' . . . . . 0.599 " H2'" ' C6 ' ' A' ' 22' ' ' ' C' . . . . . . . . 2 P--O5' 1.65 5.73 4 P-O3'-C3' 129.6 8.25 . 0.49 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . 0.599 ' C6 ' " H2'" ' A' ' 21' ' ' ' A' . . . . . . . . 2 C2'--C1' 1.595 6.651 2 P-O5'-C5' 137.131 10.144 . 0.756 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ' U' . . . . . 0.592 ' C4 ' ' HD2' ' B' ' 6' ' ' ARG . . . . . . . . 0 P--O5' 1.573 -2.009 2 C4'-C3'-C2' 108.712 6.012 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.489 -3.309 1 P-O5'-C5' 137.412 10.32 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.492 -2.969 2 P-O3'-C3' 138.037 15.281 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.567 3.937 2 P-O3'-C3' 132.592 10.744 . 0.037 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.57 4.224 2 P-O3'-C3' 128.248 7.123 . 0.362 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ' A' . . . . . 0.553 ' C2 ' ' C6 ' ' A' ' 30' ' ' ' A' . . . . . . . . 0 C3'--C2' 1.556 2.796 4 P-O3'-C3' 127.608 6.59 OUTLIER-EPSILON 0.121 5z . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ' A' . . . . . 0.593 " H1'" HH21 ' B' ' 11' ' ' ARG . . . . . . . . 2 O4'--C1' 1.47 4.68 5 P-O3'-C3' 137.396 14.747 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ' A' . . . . . 0.553 ' C6 ' ' C2 ' ' A' ' 28' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.555 3.471 2 P-O5'-C5' 132.635 7.334 . 0.04 3a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.576 5.057 4 P-O5'-C5' 132.134 7.021 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.572 4.78 2 O5'-C5'-C4' 117.459 5.185 . 0.775 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ' G' . . . . . 0.596 " H2'" ' C6 ' ' A' ' 34' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.572 4.785 3 P-O3'-C3' 127.585 6.571 . 0.13 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ' C' . . . . . 0.596 ' C6 ' " H2'" ' A' ' 33' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.561 3.907 2 P-O5'-C5' 136.287 9.617 . 0.347 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.64 4.656 4 P-O3'-C3' 132.792 10.91 . 0.232 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.511 2.585 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.447 ' NH2' ' C4 ' ' A' ' 23' ' ' ' U' . 7.5 ttp85 -55.12 -24.16 24.52 Favored 'General case' 0 C--N 1.377 1.799 0 CA-C-O 123.58 1.657 . . . . 0.0 113.78 178.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -11.93 60.09 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 125.704 1.601 . . . . 0.0 114.628 178.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.793 ' HB2' " H3'" ' A' ' 5' ' ' ' G' . . . -80.64 -49.65 10.97 Favored 'General case' 0 C--N 1.365 1.252 0 C-N-CA 124.929 1.291 . . . . 0.0 108.08 174.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.86 -48.33 31.14 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 130.417 3.487 . . . . 0.0 111.2 175.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.592 ' HD2' ' C4 ' ' A' ' 23' ' ' ' U' . 2.3 ttt-85 -52.74 -34.15 51.42 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 129.046 2.938 . . . . 0.0 112.384 173.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . 0.264 34.8 m-80 -92.49 -42.72 9.56 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 127.15 2.18 . . . . 0.0 111.771 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -53.55 -48.03 69.49 Favored 'General case' 0 CA--C 1.557 1.24 0 CA-C-N 121.237 1.835 . . . . 0.0 109.279 173.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -51.74 68.66 Favored 'General case' 0 C--N 1.392 2.416 0 CA-C-N 121.659 2.027 . . . . 0.0 112.167 173.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -51.27 -37.9 49.79 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-O 116.963 -1.494 . . . . 0.0 110.455 177.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.593 HH21 " H1'" ' A' ' 29' ' ' ' A' 0.442 0.0 OUTLIER -70.45 -49.86 44.3 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 127.158 2.183 . . . . 0.0 113.448 176.788 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' TRP . . . . . . . . . . . . 0.331 57.3 m95 -58.25 -29.25 65.61 Favored 'General case' 0 CA--C 1.58 2.105 0 CA-C-N 122.287 2.312 . . . . 0.0 111.209 173.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -73.73 -60.29 2.32 Favored 'General case' 0 C--N 1.388 2.242 0 C-N-CA 126.83 2.052 . . . . 0.0 107.884 170.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.408 ' HB2' ' HA ' ' B' ' 11' ' ' ARG . 2.7 mt-10 -36.97 -47.24 0.69 Allowed 'General case' 0 C--N 1.394 2.543 0 C-N-CA 128.753 2.821 . . . . 0.0 111.11 176.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -44.06 -40.6 4.96 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 129.369 3.068 . . . . 0.0 113.405 174.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -76.98 -17.65 58.74 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 125.878 1.671 . . . . 0.0 114.193 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 26.9 mtm105 . . . . . 0 C--N 1.381 1.96 0 C-N-CA 126.75 2.02 . . . . 0.0 111.364 179.688 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . 0.467 " H1'" ' N7 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.557 2.889 4 O4'-C1'-N19 117.636 9.436 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.761 " H2'" ' C6 ' ' A' ' 3' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.56 3.819 3 P-O3'-C3' 134.104 12.003 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.761 ' C6 ' " H2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.461 2.693 3 P-O5'-C5' 133.143 7.652 . 0.658 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . 0.604 " H2'" ' C8 ' ' A' ' 5' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.564 4.173 4 P-O5'-C5' 134.846 8.716 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ' G' . . . . . 0.604 ' C8 ' " H2'" ' A' ' 4' ' ' ' U' . . . . . . . . 0 P--O3' 1.567 -3.329 4 P-O3'-C3' 133.886 11.821 . 0.249 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.564 4.151 5 P-O3'-C3' 131.954 10.212 . 0.015 4a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ' A' . . . . . 0.612 ' H62' ' HG2' ' B' ' 3' ' ' GLN . . . . . . . . 0 O3'--C3' 1.46 2.625 2 P-O5'-C5' 146.531 16.019 . 0.01 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ' C' . . . . . 0.657 " H2'" ' C6 ' ' A' ' 9' ' ' ' U' . . . . . . . . 0 C2'--C1' 1.495 -3.301 3 P-O5'-C5' 131.965 6.916 . 0.688 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ' U' . . . . . 0.657 ' C6 ' " H2'" ' A' ' 8' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.544 2.577 3 P-O3'-C3' 133.719 11.683 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ' C' . . . . . 0.502 " H2'" ' C8 ' ' A' ' 11' ' ' ' G' . . . . . . . . 0 P--O5' 1.632 3.903 2 P-O3'-C3' 131.713 10.011 . 0.5 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . 0.611 " H2'" ' C6 ' ' A' ' 12' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.559 3.752 2 P-O5'-C5' 140.757 12.411 . 0.182 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . 0.611 ' C6 ' " H2'" ' A' ' 11' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.551 3.124 3 P-O3'-C3' 129.587 8.239 . 0.848 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . 0.4 ' C8 ' " H2'" ' A' ' 12' ' ' ' U' . . . . . . . . 1 C5'--C4' 1.579 5.306 3 P-O5'-C5' 147.428 16.58 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.46 " H3'" ' C5 ' ' A' ' 15' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.49 -3.05 3 O4'-C1'-N19 116.951 8.751 OUTLIER-EPSILON 0.446 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ' U' . . . . . 0.499 " H1'" ' N2 ' ' A' ' 19' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.488 -3.995 3 P-O3'-C3' 138.632 15.777 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.575 5.005 3 P-O5'-C5' 132.226 7.079 . 0.146 1z . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.564 3.571 2 P-O3'-C3' 141.986 18.572 OUTLIER-EPSILON 0.011 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.683 8.964 6 P-O3'-C3' 136.919 14.349 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ' G' . . . . . 0.585 " H2'" ' C6 ' ' A' ' 20' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.56 3.852 2 P-O3'-C3' 147.618 23.265 . 0.292 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . 0.585 ' C6 ' " H2'" ' A' ' 19' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.551 3.168 3 P-O5'-C5' 135.841 9.338 . 0.424 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ' A' . . . . . 0.556 ' C8 ' " H2'" ' A' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.492 3.23 3 P-O5'-C5' 142.619 13.575 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . 0.465 ' C4 ' ' C5 ' ' A' ' 21' ' ' ' A' . . . . . . . . 1 C5'--C4' 1.567 4.376 2 P-O5'-C5' 139.386 11.554 . 0.391 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ' U' . . . . . 0.508 ' N3 ' ' HD2' ' B' ' 6' ' ' ARG . . . . . . . . 0 O3'--C3' 1.47 3.371 2 P-O5'-C5' 132.825 7.453 . 0.0 OUTLIER '7D dist 7r' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.572 4.747 4 P-O3'-C3' 140.6 17.416 . 0.068 0k . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . 0.423 ' N7 ' ' NH2' ' B' ' 2' ' ' ARG . . . . . . . . 0 O3'--C3' 1.466 3.077 2 P-O5'-C5' 147.792 16.808 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ' A' . . . . . 0.515 " H2'" ' C8 ' ' A' ' 27' ' ' ' G' . . . . . . . . 1 P--O3' 1.655 4.021 1 P-O5'-C5' 131.148 6.405 . 0.157 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ' G' . . . . . 0.515 ' C8 ' " H2'" ' A' ' 26' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.557 3.595 2 P-O5'-C5' 132.525 7.266 . 0.067 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ' A' . . . . . 0.427 ' C2 ' ' C5 ' ' A' ' 30' ' ' ' A' . . . . . . . . 1 C3'--C2' 1.571 4.178 2 P-O3'-C3' 138.044 15.287 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.459 2.567 3 P-O3'-C3' 139.171 16.226 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ' A' . . . . . 0.543 ' C2 ' " H1'" ' A' ' 31' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.564 4.138 6 P-O3'-C3' 138.081 15.318 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ' C' . . . . . 0.543 " H1'" ' C2 ' ' A' ' 30' ' ' ' A' . . . . . . . . 2 P--O5' 1.659 6.633 5 O4'-C1'-N19 119.154 10.954 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ' A' . . . . . 0.464 " H2'" ' C8 ' ' A' ' 33' ' ' ' G' . . . . . . . . 1 P--O3' 1.66 4.447 5 P-O3'-C3' 132.891 10.992 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ' G' . . . . . 0.716 " H2'" ' C6 ' ' A' ' 34' ' ' ' C' . . . . . . . . 2 C5'--C4' 1.574 4.913 3 P-O3'-C3' 132.769 10.891 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ' C' . . . . . 0.716 ' C6 ' " H2'" ' A' ' 33' ' ' ' G' . . . . . . . . 2 C5'--C4' 1.569 4.549 3 P-O3'-C3' 134.739 12.532 . 0.577 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.569 4.513 4 P-O3'-C3' 131.825 10.104 . 0.01 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.512 2.675 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.423 ' NH2' ' N7 ' ' A' ' 25' ' ' ' G' 0.265 5.1 ttp180 59.48 -52.72 0.07 Allowed 'General case' 0 C--N 1.375 1.687 0 C-N-CA 131.388 3.875 . . . . 0.0 116.096 -178.057 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.612 ' HG2' ' H62' ' A' ' 7' ' ' ' A' . 33.2 tp60 -47.14 -34.82 6.49 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 127.686 2.394 . . . . 0.0 114.591 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.425 ' HB2' " C2'" ' A' ' 5' ' ' ' G' . . . -53.54 -44.09 68.91 Favored 'General case' 0 CA--C 1.592 2.579 0 CA-C-O 125.105 2.383 . . . . 0.0 111.125 176.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 69.6 mtm-85 -70.46 -25.93 63.4 Favored 'General case' 0 C--N 1.389 2.307 0 C-N-CA 127.884 2.474 . . . . 0.0 109.773 175.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.508 ' HD2' ' N3 ' ' A' ' 23' ' ' ' U' . 1.2 ttt85 -73.27 -69.61 0.41 Allowed 'General case' 0 C--O 1.197 -1.685 0 C-N-CA 129.845 3.258 . . . . 0.0 103.137 172.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . 0.481 45.7 m-20 -37.22 -56.81 0.92 Allowed 'General case' 0 C--N 1.362 1.133 0 CA-C-N 124.855 3.48 . . . . 0.0 116.551 -178.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.411 ' HB2' ' CZ ' ' B' ' 8' ' ' ARG . 8.1 ttm105 -49.8 -54.5 18.85 Favored 'General case' 0 C--N 1.384 2.069 0 CA-C-N 119.429 1.013 . . . . 0.0 109.575 172.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -67.62 -49.8 61.23 Favored 'General case' 0 C--O 1.205 -1.283 0 C-N-CA 130.578 3.551 . . . . 0.0 115.514 176.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.404 HH12 ' CD ' ' B' ' 14' ' ' GLU 0.285 0.0 OUTLIER -64.23 45.88 0.02 OUTLIER 'General case' 0 CA--C 1.565 1.529 1 C-N-CA 133.861 4.865 . . . . 0.0 107.101 176.087 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.52 -77.66 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.566 1 C-N-CA 134.186 4.994 . . . . 0.0 101.982 -172.248 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' TRP . . . . . . . . . . . . 0.331 92.9 m95 -55.71 -26.04 43.17 Favored 'General case' 0 C--N 1.382 2.018 0 O-C-N 118.595 -2.566 . . . . 0.0 117.119 178.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 ttt85 -63.62 -61.73 2.13 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 128.066 2.546 . . . . 0.0 104.196 174.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.497 ' H ' ' CD ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -33.69 -49.2 0.3 Allowed 'General case' 0 N--CA 1.498 1.95 1 C-N-CA 131.905 4.082 . . . . 0.0 114.51 178.241 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -64.12 -11.2 27.92 Favored 'General case' 0 CA--C 1.566 1.594 0 C-N-CA 125.628 1.571 . . . . 0.0 114.351 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.44 -38.3 0.84 Allowed 'General case' 0 CA--C 1.57 1.745 0 C-N-CA 130.948 3.699 . . . . 0.0 114.193 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.426 ' NH2' ' OP1' ' A' ' 26' ' ' ' A' . 38.3 ttt-85 . . . . . 0 C--N 1.363 1.194 1 C-N-CA 134.064 4.945 . . . . 0.0 110.384 178.719 . . . . . . . . 2 2 . 1 stop_ save_