data_2kdq_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 2kdq _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 ' A' A ' 1' ' ' ARG . . . . . 0.659 ' NH2' HH12 ' A' ' 3' ' ' ARG . 56.5 mtp180 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.88 118.34 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.155 -0.966 . . . . 0.0 109.53 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.659 HH12 ' NH2' ' A' ' 1' ' ' ARG . 0.0 OUTLIER -137.15 175.1 9.92 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.178 -0.951 . . . . 0.0 109.241 -179.341 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 t -114.09 139.52 49.24 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.233 -0.917 . . . . 0.0 109.72 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.643 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -117.28 135.23 53.98 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.336 -0.852 . . . . 0.0 109.403 -179.449 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 5' ' ' ARG . 4.8 mttm 41.6 33.78 0.33 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.292 -0.88 . . . . 0.0 109.568 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.16 -20.5 29.28 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.643 ' N ' ' O ' ' A' ' 5' ' ' ARG . 15.7 mtp180 -80.29 162.99 24.29 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.341 -1.094 . . . . 0.0 109.328 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.514 HH11 ' HD2' ' A' ' 11' ' ' ARG . 4.4 ttm180 -90.87 120.06 31.59 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.219 -0.926 . . . . 0.0 110.011 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.422 ' O ' ' O ' ' A' ' 3' ' ' ARG . 1.8 tt -119.83 128.77 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.514 ' HD2' HH11 ' A' ' 9' ' ' ARG . 47.5 mtp180 -119.88 138.43 53.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.134 -0.979 . . . . 0.0 110.162 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.6 mm . . . . . 0 C--N 1.302 -1.477 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.621 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.544 ' NH2' ' NH1' ' A' ' 3' ' ' ARG . 25.7 mtp85 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.489 ' HB ' HH11 ' A' ' 11' ' ' ARG . 0.2 OUTLIER -105.01 125.08 60.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.215 -0.928 . . . . 0.0 109.521 -178.756 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.544 ' NH1' ' NH2' ' A' ' 1' ' ' ARG . 0.1 OUTLIER -141.81 154.01 44.91 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.183 -0.948 . . . . 0.0 109.257 178.841 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 2.8 m -113.46 125.38 54.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 0.0 109.662 -179.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -113.02 124.36 52.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -0.891 . . . . 0.0 109.437 179.246 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.457 ' HD2' HH12 ' A' ' 5' ' ' ARG . 0.0 OUTLIER 42.61 31.1 0.27 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.299 -0.876 . . . . 0.0 109.6 179.514 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.42 -28.48 15.23 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -73.0 110.78 7.55 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.321 -1.105 . . . . 0.0 109.347 -179.697 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.876 ' CZ ' HH22 ' A' ' 11' ' ' ARG . 0.3 OUTLIER -71.32 94.37 1.2 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.185 -0.947 . . . . 0.0 109.947 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.455 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 2.1 pp -90.95 120.8 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.876 HH22 ' CZ ' ' A' ' 9' ' ' ARG . 3.6 ttp-105 -129.14 130.87 46.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.141 -0.974 . . . . 0.0 110.217 -177.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.5 mt . . . . . 0 C--N 1.302 -1.481 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 174.644 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.591 ' NH2' ' NH2' ' A' ' 3' ' ' ARG . 40.6 mtp180 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.2 134.43 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.244 -0.91 . . . . 0.0 109.499 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.591 ' NH2' ' NH2' ' A' ' 1' ' ' ARG . 0.0 OUTLIER -155.5 166.97 31.91 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.243 -0.91 . . . . 0.0 109.352 179.281 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.407 ' HA ' ' H ' ' A' ' 10' ' ' ILE . 1.9 m -132.64 130.38 40.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.922 . . . . 0.0 109.678 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.537 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -128.03 156.03 43.4 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.889 . . . . 0.0 109.352 179.216 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 5' ' ' ARG . 4.2 mttt 40.88 27.64 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.183 -0.948 . . . . 0.0 109.618 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . 84.6 -22.05 9.74 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -77.34 140.6 40.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.363 -1.081 . . . . 0.0 109.263 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.737 HH11 ' CZ ' ' A' ' 11' ' ' ARG . 6.4 ttm180 -80.55 105.75 12.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.215 -0.928 . . . . 0.0 110.027 -179.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.624 ' CG2' ' O ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -98.4 120.59 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.661 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.737 ' CZ ' HH11 ' A' ' 9' ' ' ARG . 53.0 mtm180 -131.98 161.73 32.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.121 -0.987 . . . . 0.0 110.184 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.315 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.453 ' HA ' ' HA ' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -101.22 116.17 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.213 -0.929 . . . . 0.0 109.481 -178.276 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.446 ' HG3' ' C ' ' A' ' 2' ' ' VAL . 0.6 OUTLIER -131.1 168.88 16.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.225 -0.922 . . . . 0.0 109.239 177.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.17 143.36 49.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.224 -0.922 . . . . 0.0 109.681 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.622 ' O ' ' N ' ' A' ' 8' ' ' ARG . 4.7 ptm85 -138.69 148.27 43.77 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.297 -0.877 . . . . 0.0 109.402 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 5' ' ' ARG . 21.8 mmtt 40.54 28.45 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.343 -0.848 . . . . 0.0 109.551 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . 87.58 -20.43 27.41 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.622 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -74.23 159.28 32.71 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.282 -1.128 . . . . 0.0 109.342 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.923 HH11 ' NH2' ' A' ' 11' ' ' ARG . 12.2 ttm180 -106.29 111.66 24.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.2 -0.938 . . . . 0.0 110.04 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.657 HG12 ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -107.9 100.13 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 177.474 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.923 ' NH2' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -117.42 124.65 49.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.151 -0.968 . . . . 0.0 110.175 -177.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.2 mm . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 176.654 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.717 HH12 ' NE ' ' A' ' 3' ' ' ARG . 5.8 mtp-105 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.78 130.71 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.176 -0.952 . . . . 0.0 109.494 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.717 ' NE ' HH12 ' A' ' 1' ' ' ARG . 0.9 OUTLIER -144.96 169.51 17.94 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.225 -0.922 . . . . 0.0 109.191 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.42 ' HA ' ' H ' ' A' ' 10' ' ' ILE . 13.8 m -132.98 132.75 42.28 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.232 -0.918 . . . . 0.0 109.666 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.42 ' N ' HG21 ' A' ' 10' ' ' ILE . 4.6 ptm180 -133.64 135.38 44.12 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.244 -0.91 . . . . 0.0 109.4 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.66 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER 54.16 29.65 10.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.336 -0.853 . . . . 0.0 109.604 179.61 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.85 -0.33 86.86 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.89 122.67 42.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.219 -1.165 . . . . 0.0 109.365 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.625 ' NH1' ' CZ ' ' A' ' 11' ' ' ARG . 22.7 ttp85 -65.91 93.62 0.19 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.218 -0.926 . . . . 0.0 109.981 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 3' ' ' ARG . 0.1 OUTLIER -90.37 111.09 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.47 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.625 ' CZ ' ' NH1' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -119.59 132.3 55.69 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.192 -0.942 . . . . 0.0 110.159 -179.212 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 1' ' ' ARG . 5.2 mm . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -104.69 120.67 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.227 -0.92 . . . . 0.0 109.443 -179.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -137.39 169.28 18.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.242 -0.911 . . . . 0.0 109.282 178.658 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.475 ' O ' ' CG2' ' A' ' 4' ' ' THR . 2.3 t -132.36 129.08 38.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.233 -0.917 . . . . 0.0 109.695 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.574 ' O ' ' N ' ' A' ' 8' ' ' ARG . 13.2 ptm180 -123.06 146.21 47.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.283 -0.886 . . . . 0.0 109.434 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.649 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 0.9 OUTLIER 40.04 29.3 0.05 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.242 -0.911 . . . . 0.0 109.596 -179.344 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . 86.77 -26.27 6.75 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.574 ' N ' ' O ' ' A' ' 5' ' ' ARG . 7.7 tpt180 -73.05 127.33 32.25 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.268 -1.136 . . . . 0.0 109.262 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.748 ' NH1' ' O ' ' A' ' 9' ' ' ARG . 1.7 tmm_? -65.0 115.54 5.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.242 -0.911 . . . . 0.0 110.03 178.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.445 HG23 ' N ' ' A' ' 5' ' ' ARG . 0.3 OUTLIER -115.49 116.71 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.866 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.695 ' CZ ' ' NE ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -130.49 143.2 50.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 110.101 -177.676 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.6 mt . . . . . 0 C--N 1.303 -1.431 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 176.904 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.19 119.55 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.266 -0.896 . . . . 0.0 109.456 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.41 165.18 27.45 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.162 -0.961 . . . . 0.0 109.274 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.423 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 88.1 m -133.36 140.33 47.32 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.248 -0.907 . . . . 0.0 109.677 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.669 ' O ' ' N ' ' A' ' 8' ' ' ARG . 16.9 ptm180 -138.16 156.76 47.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.272 -0.892 . . . . 0.0 109.456 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 5' ' ' ARG . 1.2 mmtm 38.71 29.13 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.253 -0.904 . . . . 0.0 109.615 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . 83.15 -17.42 23.15 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.773 ' NH1' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -81.52 154.72 26.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.298 -1.119 . . . . 0.0 109.326 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.797 HH21 ' NH2' ' A' ' 11' ' ' ARG . 1.6 tmm_? -99.38 123.98 44.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.185 -0.947 . . . . 0.0 109.99 -179.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.697 ' CA ' HH11 ' A' ' 9' ' ' ARG . 0.1 OUTLIER -115.95 131.93 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 177.072 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.797 ' NH2' HH21 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -133.26 137.46 46.06 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.098 -1.001 . . . . 0.0 110.224 -179.236 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.301 -1.511 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 176.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.712 ' NH2' HH21 ' A' ' 3' ' ' ARG . 6.1 mtp180 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 p -97.25 120.37 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.226 -0.921 . . . . 0.0 109.507 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.712 HH21 ' NH2' ' A' ' 1' ' ' ARG . 0.0 OUTLIER -145.1 170.01 17.03 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.116 -0.99 . . . . 0.0 109.238 179.311 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.493 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 6.8 m -113.21 160.05 18.67 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.239 -0.913 . . . . 0.0 109.736 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.73 ' NE ' ' HZ3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -134.35 109.31 8.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.255 -0.903 . . . . 0.0 109.384 -178.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.73 ' HZ3' ' NE ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 38.61 43.71 0.71 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.228 -0.92 . . . . 0.0 109.621 179.581 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.65 -29.65 8.85 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -80.49 111.8 17.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.236 -1.155 . . . . 0.0 109.338 179.423 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.845 HH21 HH21 ' A' ' 11' ' ' ARG . 0.8 OUTLIER -63.87 118.4 8.33 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.251 -0.906 . . . . 0.0 110.039 -178.686 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.573 ' O ' ' O ' ' A' ' 3' ' ' ARG . 0.9 OUTLIER -113.46 127.76 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.093 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.845 HH21 HH21 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -130.36 124.61 32.64 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.135 -0.978 . . . . 0.0 110.125 -178.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.8 mm . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 177.694 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.45 123.14 54.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.216 -0.928 . . . . 0.0 109.512 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.471 ' O ' ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -139.32 170.78 15.32 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.183 -0.948 . . . . 0.0 109.242 178.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.8 p -113.91 138.97 49.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.245 -0.909 . . . . 0.0 109.711 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.601 ' O ' ' N ' ' A' ' 8' ' ' ARG . 4.1 ttt-85 -118.37 128.96 55.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.277 -0.889 . . . . 0.0 109.451 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.471 ' CG ' ' C ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 42.89 28.17 0.12 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.303 -0.873 . . . . 0.0 109.619 179.709 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . 97.97 -17.13 59.21 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.601 ' N ' ' O ' ' A' ' 5' ' ' ARG . 3.1 ttt180 -80.73 174.58 11.48 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.356 -1.085 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -103.88 98.96 8.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.183 -0.948 . . . . 0.0 109.964 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.471 ' O ' ' O ' ' A' ' 3' ' ' ARG . 1.2 tt -98.39 128.81 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -130.97 132.1 44.82 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.157 -0.964 . . . . 0.0 110.192 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 1' ' ' ARG . 27.4 mt . . . . . 0 C--N 1.301 -1.504 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 1' ' ' ARG . 5.4 ptp85 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.11 135.95 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.274 -0.891 . . . . 0.0 109.493 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.47 ' HG2' ' H ' ' A' ' 4' ' ' THR . 4.7 ttm-85 -140.22 172.19 13.1 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.221 -0.924 . . . . 0.0 109.253 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.47 ' H ' ' HG2' ' A' ' 3' ' ' ARG . 1.1 p -124.41 167.82 13.88 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.213 -0.929 . . . . 0.0 109.726 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 8' ' ' ARG . 1.1 ttp180 -164.77 133.83 3.57 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.243 -0.91 . . . . 0.0 109.403 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.428 ' HA ' ' HZ1' ' A' ' 6' ' ' LYS . 0.0 OUTLIER 45.42 25.71 0.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.297 -0.877 . . . . 0.0 109.552 -179.211 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.63 7.12 72.19 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -106.47 137.11 45.05 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.257 -1.143 . . . . 0.0 109.343 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.808 ' CZ ' HH21 ' A' ' 11' ' ' ARG . 15.6 ttp180 -83.47 103.87 13.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.26 -0.9 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 3' ' ' ARG . 1.5 pt -99.71 137.71 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.808 HH21 ' CZ ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -116.12 131.16 57.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.07 -1.019 . . . . 0.0 110.195 -178.171 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.302 -1.479 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 177.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.659 ' NH2' HH12 ' A' ' 3' ' ' ARG . 56.5 mtp180 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.88 118.34 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.155 -0.966 . . . . 0.0 109.53 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.659 HH12 ' NH2' ' A' ' 1' ' ' ARG . 0.0 OUTLIER -137.15 175.1 9.92 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.178 -0.951 . . . . 0.0 109.241 -179.341 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.542 ' O ' " H3'" ' B' ' 23' ' ' ' U' . 2.0 t -114.09 139.52 49.24 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.233 -0.917 . . . . 0.0 109.72 178.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.66 ' CG ' " H2'" ' B' ' 23' ' ' ' U' . 0.0 OUTLIER -117.28 135.23 53.98 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.336 -0.852 . . . . 0.0 109.403 -179.449 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 5' ' ' ARG . 4.8 mttm 41.6 33.78 0.33 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.292 -0.88 . . . . 0.0 109.568 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.16 -20.5 29.28 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.768 ' NH2' " H1'" ' B' ' 32' ' ' ' G' . 15.7 mtp180 -80.29 162.99 24.29 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.341 -1.094 . . . . 0.0 109.328 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.977 ' O ' " H2'" ' B' ' 34' ' ' ' G' . 4.4 ttm180 -90.87 120.06 31.59 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.219 -0.926 . . . . 0.0 110.011 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.422 ' O ' ' O ' ' A' ' 3' ' ' ARG . 1.8 tt -119.83 128.77 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.635 ' CB ' ' C8 ' ' B' ' 35' ' ' ' A' . 47.5 mtp180 -119.88 138.43 53.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.134 -0.979 . . . . 0.0 110.162 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.6 mm -130.46 109.57 17.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . 0.687 ' O ' ' C5 ' ' B' ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo . . . . . 0 C--N 1.306 -1.709 0 C-N-CA 122.998 2.465 . . . . 0.0 111.583 178.528 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.54 ' H8 ' HO5' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.036 2 C5'-C4'-C3' 107.707 -5.196 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.516 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.1 2 C5'-C4'-C3' 107.703 -5.198 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.801 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.022 2 C5'-C4'-C3' 107.598 -5.268 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . 0.801 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.892 2 C5'-C4'-C3' 107.961 -5.026 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . 0.657 " O2'" " H5'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.972 2 C5'-C4'-C3' 107.353 -5.432 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.821 " O2'" H5'' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.863 2 C5'-C4'-C3' 107.362 -5.425 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 0.895 " H4'" ' OP1' ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -2.039 2 C5'-C4'-C3' 107.036 -5.643 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 1.08 " H3'" " H5'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.937 2 C5'-C4'-C3' 106.749 -5.834 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . 1.08 " H5'" " H3'" ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.876 2 C5'-C4'-C3' 107.732 -5.179 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . 0.647 H5'' " H3'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.973 2 C5'-C4'-C3' 107.92 -5.053 . 0.0 OUTLIER '7D dist 6d' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . 0.829 " H2'" ' H8 ' ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.2 2 C5'-C4'-C3' 108.239 -4.841 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . 0.829 ' H8 ' " H2'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.019 2 C5'-C4'-C3' 107.553 -5.298 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.672 ' C6 ' " H2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.057 2 C5'-C4'-C3' 108.34 -4.774 . 0.042 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.919 " H1'" ' C6 ' ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.932 2 C5'-C4'-C3' 107.655 -5.23 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . 0.768 ' H6 ' " O3'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.907 2 C5'-C4'-C3' 107.25 -5.5 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . 0.984 " H4'" " H5'" ' B' ' 33' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.544 1.86 2 C5'-C4'-C3' 107.451 -5.366 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . 0.984 " H5'" " H4'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.817 2 C5'-C4'-C3' 108.121 -4.919 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.977 " H2'" ' O ' ' A' ' 9' ' ' ARG . . . . . . . . 0 O4'--C1' 1.435 1.768 2 C5'-C4'-C3' 107.383 -5.412 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . 0.967 ' N3 ' " H2'" ' B' ' 35' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.552 2.58 2 C5'-C4'-C3' 107.487 -5.342 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.827 ' C8 ' " H5'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.051 2 C5'-C4'-C3' 107.754 -5.164 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.799 " O2'" " H5'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.941 2 C5'-C4'-C3' 107.399 -5.401 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . 0.799 " H5'" " O2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.038 2 C5'-C4'-C3' 108.246 -4.836 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . 0.667 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.251 2 C5'-C4'-C3' 108.402 -4.732 . 0.021 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . 0.866 " H2'" ' C6 ' ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.116 2 C5'-C4'-C3' 107.854 -5.097 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . 0.866 ' C6 ' " H2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.025 2 C5'-C4'-C3' 107.718 -5.188 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . 0.662 ' C6 ' " H2'" ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.026 2 C5'-C4'-C3' 107.706 -5.196 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . 0.475 ' H8 ' " O5'" ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.042 2 C5'-C4'-C3' 107.491 -5.339 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . 0.822 " H2'" ' C5 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.889 2 C5'-C4'-C3' 107.712 -5.192 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.822 ' C5 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.861 2 C5'-C4'-C3' 107.638 -5.242 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.544 ' NH2' ' NH1' ' A' ' 3' ' ' ARG . 25.7 mtp85 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.489 ' HB ' HH11 ' A' ' 11' ' ' ARG . 0.2 OUTLIER -105.01 125.08 60.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.215 -0.928 . . . . 0.0 109.521 -178.756 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.739 HH22 ' H8 ' ' B' ' 22' ' ' ' A' . 0.1 OUTLIER -141.81 154.01 44.91 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.183 -0.948 . . . . 0.0 109.257 178.841 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 2.8 m -113.46 125.38 54.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 0.0 109.662 -179.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.934 HH22 " H3'" ' B' ' 27' ' ' ' A' . 0.3 OUTLIER -113.02 124.36 52.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -0.891 . . . . 0.0 109.437 179.246 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.457 ' HD2' HH12 ' A' ' 5' ' ' ARG . 0.0 OUTLIER 42.61 31.1 0.27 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.299 -0.876 . . . . 0.0 109.6 179.514 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.42 -28.48 15.23 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.686 ' NE ' ' N7 ' ' B' ' 34' ' ' ' G' . 0.0 OUTLIER -73.0 110.78 7.55 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.321 -1.105 . . . . 0.0 109.347 -179.697 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.992 HH22 " H3'" ' B' ' 34' ' ' ' G' . 0.3 OUTLIER -71.32 94.37 1.2 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.185 -0.947 . . . . 0.0 109.947 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.455 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 2.1 pp -90.95 120.8 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.877 ' NE ' ' C8 ' ' B' ' 35' ' ' ' A' . 3.6 ttp-105 -129.14 130.87 46.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.141 -0.974 . . . . 0.0 110.217 -177.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.5 mt -104.66 89.68 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 174.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . 0.547 ' CB ' " O2'" ' B' ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo . . . . . 0 C--N 1.303 -1.816 0 C-N-CA 123.032 2.488 . . . . 0.0 111.643 178.759 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.495 " H3'" HO5' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.989 2 C5'-C4'-C3' 107.808 -5.128 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.513 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.077 2 C5'-C4'-C3' 107.721 -5.186 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.931 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.057 2 C5'-C4'-C3' 107.796 -5.136 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . 0.931 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.885 2 C5'-C4'-C3' 107.859 -5.094 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . 0.847 " O5'" ' H8 ' ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.939 2 C5'-C4'-C3' 108.36 -4.76 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.739 ' H8 ' HH22 ' A' ' 3' ' ' ARG . . . . . . . . 0 O4'--C4' 1.43 -1.939 2 C5'-C4'-C3' 107.253 -5.498 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 0.601 " H4'" HO2' ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.057 2 C5'-C4'-C3' 107.738 -5.175 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 1.102 " H5'" " H5'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.852 2 C5'-C4'-C3' 107.018 -5.655 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . 1.102 " H5'" " H5'" ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.792 2 C5'-C4'-C3' 107.627 -5.248 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . 0.667 ' C2 ' ' C5 ' ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.029 2 C5'-C4'-C3' 108.483 -4.678 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . 0.934 " H3'" HH22 ' A' ' 5' ' ' ARG . . . . . . . . 0 O4'--C1' 1.441 2.231 2 C5'-C4'-C3' 108.776 -4.482 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . 1.031 " O2'" " H5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.158 2 C5'-C4'-C3' 108.748 -4.502 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 1.031 " H5'" " O2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.009 2 C3'-C2'-C1' 105.524 4.471 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.733 " H5'" ' H5 ' ' B' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.905 2 C5'-C4'-C3' 108.116 -4.923 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . 0.733 ' H5 ' " H5'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -1.964 2 C5'-C4'-C3' 108.093 -4.938 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . 1.01 " H1'" ' H1 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.432 -1.734 2 C5'-C4'-C3' 107.535 -5.31 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . 0.968 " H1'" ' NH1' ' A' ' 9' ' ' ARG . . . . . . . . 0 O4'--C1' 1.436 1.858 2 C5'-C4'-C3' 107.039 -5.641 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 1.01 ' H1 ' " H1'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.502 -2.024 2 C5'-C4'-C3' 107.775 -5.15 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . 0.877 ' C8 ' ' NE ' ' A' ' 11' ' ' ARG . . . . . . . . 0 P--O5' 1.611 1.769 2 C5'-C4'-C3' 108.097 -4.935 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.741 " O5'" " H4'" ' B' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.025 2 C5'-C4'-C3' 107.956 -5.029 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.657 " H2'" ' O2 ' ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.952 2 C5'-C4'-C3' 107.565 -5.29 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . 0.517 " O2'" " C5'" ' B' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.083 2 C5'-C4'-C3' 108.607 -4.596 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . 0.759 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.193 2 C5'-C4'-C3' 108.582 -4.612 . 0.028 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . 0.859 " O2'" " H5'" ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.107 2 C5'-C4'-C3' 108.021 -4.986 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . 0.859 " H5'" " O2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.991 2 C5'-C4'-C3' 108.317 -4.788 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . 0.809 " H2'" ' C8 ' ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.077 2 C5'-C4'-C3' 107.783 -5.145 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . 0.809 ' C8 ' " H2'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.006 2 C5'-C4'-C3' 107.572 -5.285 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . 0.683 " H5'" " O2'" ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.002 2 C5'-C4'-C3' 107.797 -5.135 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.678 ' C5 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.863 2 C5'-C4'-C3' 107.662 -5.225 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.591 ' NH2' ' NH2' ' A' ' 3' ' ' ARG . 40.6 mtp180 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.2 134.43 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.244 -0.91 . . . . 0.0 109.499 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.591 ' NH2' ' NH2' ' A' ' 1' ' ' ARG . 0.0 OUTLIER -155.5 166.97 31.91 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.243 -0.91 . . . . 0.0 109.352 179.281 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.456 ' O ' ' OP2' ' B' ' 24' ' ' ' C' . 1.9 m -132.64 130.38 40.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.922 . . . . 0.0 109.678 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.686 ' NH2' ' C8 ' ' B' ' 27' ' ' ' A' . 0.0 OUTLIER -128.03 156.03 43.4 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.889 . . . . 0.0 109.352 179.216 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 5' ' ' ARG . 4.2 mttt 40.88 27.64 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.183 -0.948 . . . . 0.0 109.618 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . 84.6 -22.05 9.74 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.878 ' NE ' ' N7 ' ' B' ' 34' ' ' ' G' . 0.0 OUTLIER -77.34 140.6 40.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.363 -1.081 . . . . 0.0 109.263 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.999 HH21 " H2'" ' B' ' 33' ' ' ' G' . 6.4 ttm180 -80.55 105.75 12.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.215 -0.928 . . . . 0.0 110.027 -179.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.624 ' CG2' ' O ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -98.4 120.59 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.661 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.737 ' CZ ' HH11 ' A' ' 9' ' ' ARG . 53.0 mtm180 -131.98 161.73 32.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.121 -0.987 . . . . 0.0 110.184 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.4 mt -148.88 96.27 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . 0.614 ' CD ' " H5'" ' B' ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo . . . . . 0 C--N 1.305 -1.758 0 C-N-CA 123.002 2.468 . . . . 0.0 111.56 178.687 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.109 2 C5'-C4'-C3' 107.893 -5.071 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.405 " O2'" " O5'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.097 2 C5'-C4'-C3' 107.518 -5.321 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.927 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.116 2 C5'-C4'-C3' 107.847 -5.102 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . 0.927 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.985 2 C5'-C4'-C3' 108.068 -4.954 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . 0.772 " O5'" ' H8 ' ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.04 2 C5'-C4'-C3' 107.804 -5.131 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.762 " H5'" " O2'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.886 2 C5'-C4'-C3' 107.999 -5.001 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 0.927 ' H6 ' H5'' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.961 2 C5'-C4'-C3' 106.95 -5.7 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.661 " H5'" ' H6 ' ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.944 2 C5'-C4'-C3' 107.375 -5.417 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . 0.661 ' H6 ' " H5'" ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.432 -1.764 2 C5'-C4'-C3' 107.626 -5.25 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . 0.667 ' C6 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.981 2 C5'-C4'-C3' 107.647 -5.235 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . 1.067 " O2'" " H5'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.223 2 C5'-C4'-C3' 108.018 -4.988 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . 1.067 " H5'" " O2'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.129 2 C5'-C4'-C3' 108.863 -4.425 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.642 ' N4 ' ' C6 ' ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.012 2 C5'-C4'-C3' 107.799 -5.134 . 0.019 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.798 " H4'" ' C5 ' ' B' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.874 2 C5'-C4'-C3' 107.381 -5.412 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . 0.798 ' C5 ' " H4'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.829 2 C3'-C2'-C1' 105.961 4.956 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . 0.808 " H1'" HH12 ' A' ' 8' ' ' ARG . . . . . . . . 0 O4'--C4' 1.433 -1.678 2 C5'-C4'-C3' 108.797 -4.469 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . 0.999 " H2'" HH21 ' A' ' 9' ' ' ARG . . . . . . . . 0 O4'--C1' 1.437 1.877 2 C5'-C4'-C3' 107.399 -5.401 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.878 ' N7 ' ' NE ' ' A' ' 8' ' ' ARG . . . . . . . . 1 C4'--C3' 1.617 8.488 2 C5'-C4'-C3' 108.213 -4.858 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . 0.862 ' OP1' " H1'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.549 2.273 2 C5'-C4'-C3' 104.287 -7.475 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.865 ' C8 ' " H5'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.039 2 C5'-C4'-C3' 108.951 -4.366 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.862 ' C6 ' " H2'" ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.929 2 C5'-C4'-C3' 107.623 -5.251 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . 0.797 " H5'" " C2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.003 2 C5'-C4'-C3' 108.718 -4.521 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . 0.807 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.219 2 C5'-C4'-C3' 107.648 -5.235 . 0.069 &a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . 0.807 ' C6 ' " H2'" ' B' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.144 2 C5'-C4'-C3' 107.842 -5.105 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . 0.76 ' C6 ' " H2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.964 2 C5'-C4'-C3' 108.327 -4.782 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . 0.748 " H2'" ' C8 ' ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.036 2 C5'-C4'-C3' 107.634 -5.244 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . 0.748 ' C8 ' " H2'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.954 2 C5'-C4'-C3' 107.761 -5.159 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . 0.717 " H2'" ' C5 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.987 2 C5'-C4'-C3' 107.832 -5.112 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.717 ' C5 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.796 2 C5'-C4'-C3' 107.652 -5.232 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.671 ' NH2' ' C8 ' ' B' ' 21' ' ' ' G' . 5.2 ttt180 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.453 ' HA ' ' HA ' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -101.22 116.17 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.213 -0.929 . . . . 0.0 109.481 -178.276 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.446 ' HG3' ' C ' ' A' ' 2' ' ' VAL . 0.6 OUTLIER -131.1 168.88 16.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.225 -0.922 . . . . 0.0 109.239 177.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 1.027 ' O ' " H3'" ' B' ' 23' ' ' ' U' . 0.9 OUTLIER -133.17 143.36 49.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.224 -0.922 . . . . 0.0 109.681 -179.845 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.724 ' NH1' ' C2 ' ' B' ' 23' ' ' ' U' . 4.7 ptm85 -138.69 148.27 43.77 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.297 -0.877 . . . . 0.0 109.402 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.658 ' NZ ' ' P ' ' B' ' 27' ' ' ' A' . 21.8 mmtt 40.54 28.45 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.343 -0.848 . . . . 0.0 109.551 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . 87.58 -20.43 27.41 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.675 ' CZ ' ' C5 ' ' B' ' 34' ' ' ' G' . 0.0 OUTLIER -74.23 159.28 32.71 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.282 -1.128 . . . . 0.0 109.342 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.948 ' NH1' " H5'" ' B' ' 34' ' ' ' G' . 12.2 ttm180 -106.29 111.66 24.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.2 -0.938 . . . . 0.0 110.04 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.657 HG12 ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -107.9 100.13 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 177.474 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.923 ' NH2' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -117.42 124.65 49.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.151 -0.968 . . . . 0.0 110.175 -177.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.2 mm -105.07 87.56 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 176.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo . . . . . 0 C--N 1.304 -1.772 0 C-N-CA 123.05 2.5 . . . . 0.0 111.615 177.901 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.517 " H2'" ' C8 ' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.979 2 C5'-C4'-C3' 107.46 -5.36 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.684 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.011 2 C5'-C4'-C3' 107.564 -5.291 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.889 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.12 2 C5'-C4'-C3' 107.407 -5.395 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . 0.889 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.984 2 C5'-C4'-C3' 107.633 -5.245 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . 0.732 ' H8 ' " O5'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.966 2 C5'-C4'-C3' 107.708 -5.195 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.905 " O2'" H5'' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.97 2 C5'-C4'-C3' 107.593 -5.271 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 1.027 " H3'" ' O ' ' A' ' 4' ' ' THR . . . . . . . . 0 C4'--C3' 1.492 -2.939 2 C5'-C4'-C3' 106.998 -5.668 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 1.045 H5'' " H5'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.892 2 C5'-C4'-C3' 107.275 -5.483 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . 1.045 " H5'" H5'' ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.435 1.725 2 C5'-C4'-C3' 107.518 -5.321 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . 0.68 ' N2 ' ' C5 ' ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.957 2 C5'-C4'-C3' 107.309 -5.46 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . 1.039 " O2'" " H5'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.156 2 C5'-C4'-C3' 108.544 -4.638 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . 1.039 " H5'" " O2'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.083 2 C5'-C4'-C3' 108.932 -4.379 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.808 " H5'" " O2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.0 2 C5'-C4'-C3' 108.29 -4.807 . 0.013 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.853 " H4'" ' OP1' ' B' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.901 2 C5'-C4'-C3' 107.237 -5.509 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . 0.853 ' OP1' " H4'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.43 -1.891 2 C5'-C4'-C3' 107.073 -5.618 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . 0.975 " H2'" " H4'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.815 2 C5'-C4'-C3' 107.686 -5.21 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . 0.942 " H4'" " C5'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.934 2 C5'-C4'-C3' 107.438 -5.375 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.975 " H4'" " H2'" ' B' ' 32' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.58 5.127 2 C5'-C4'-C3' 108.641 -4.573 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . 0.958 " H4'" ' OP1' ' B' ' 36' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.565 3.739 2 C5'-C4'-C3' 107.585 -5.277 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.958 ' OP1' " H4'" ' B' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.016 2 C5'-C4'-C3' 108.148 -4.901 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.972 " O2'" " H5'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.989 2 C5'-C4'-C3' 108.377 -4.749 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . 0.972 " H5'" " O2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.952 2 C3'-C2'-C1' 105.333 4.259 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . 0.77 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.306 2 C5'-C4'-C3' 108.399 -4.734 . 0.076 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . 0.77 ' C6 ' " H2'" ' B' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.116 2 C5'-C4'-C3' 108.015 -4.99 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . 0.768 " H5'" " O2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.061 2 C5'-C4'-C3' 108.151 -4.9 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . 0.778 " H2'" ' C8 ' ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.05 2 C5'-C4'-C3' 107.853 -5.098 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . 0.778 ' C8 ' " H2'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.015 2 C5'-C4'-C3' 107.389 -5.408 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . 0.786 " H2'" ' C6 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.984 2 C5'-C4'-C3' 107.787 -5.142 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.786 ' C6 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.432 -1.771 2 C5'-C4'-C3' 107.647 -5.235 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.717 HH12 ' NE ' ' A' ' 3' ' ' ARG . 5.8 mtp-105 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.78 130.71 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.176 -0.952 . . . . 0.0 109.494 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.827 HH22 ' H8 ' ' B' ' 22' ' ' ' A' . 0.9 OUTLIER -144.96 169.51 17.94 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.225 -0.922 . . . . 0.0 109.191 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.42 ' HA ' ' H ' ' A' ' 10' ' ' ILE . 13.8 m -132.98 132.75 42.28 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.232 -0.918 . . . . 0.0 109.666 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.753 ' HB2' " H2'" ' B' ' 23' ' ' ' U' . 4.6 ptm180 -133.64 135.38 44.12 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.244 -0.91 . . . . 0.0 109.4 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.66 ' N ' ' CD ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER 54.16 29.65 10.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.336 -0.853 . . . . 0.0 109.604 179.61 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.85 -0.33 86.86 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.687 ' NE ' ' N7 ' ' B' ' 34' ' ' ' G' . 0.0 OUTLIER -98.89 122.67 42.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.219 -1.165 . . . . 0.0 109.365 179.623 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.737 ' NH2' " O2'" ' B' ' 34' ' ' ' G' . 22.7 ttp85 -65.91 93.62 0.19 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.218 -0.926 . . . . 0.0 109.981 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 3' ' ' ARG . 0.1 OUTLIER -90.37 111.09 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.47 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.625 ' CZ ' ' NH1' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -119.59 132.3 55.69 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.192 -0.942 . . . . 0.0 110.159 -179.212 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 1' ' ' ARG . 5.2 mm -106.05 93.71 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . 0.559 ' HB3' " H1'" ' B' ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo . . . . . 0 C--N 1.304 -1.774 0 C-N-CA 123.13 2.553 . . . . 0.0 111.642 178.773 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.463 HO5' " H3'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.001 2 C5'-C4'-C3' 108.09 -4.94 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.577 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.073 2 C5'-C4'-C3' 107.45 -5.367 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.879 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.963 2 C5'-C4'-C3' 107.614 -5.257 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . 0.879 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.982 2 C5'-C4'-C3' 107.949 -5.034 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . 0.796 " O5'" ' H8 ' ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.913 2 C5'-C4'-C3' 108.46 -4.693 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.931 " O2'" H5'' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.887 2 C5'-C4'-C3' 108.238 -4.842 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 0.931 H5'' " O2'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.122 2 C5'-C4'-C3' 106.737 -5.842 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.831 " H5'" " H2'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.94 2 C5'-C4'-C3' 107.52 -5.32 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . 0.831 " H2'" " H5'" ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.857 2 C5'-C4'-C3' 107.585 -5.277 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . 0.666 ' C6 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.945 2 C5'-C4'-C3' 108.414 -4.724 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . 0.98 " O2'" " H5'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.19 2 C5'-C4'-C3' 108.607 -4.595 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . 0.98 " H5'" " O2'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.071 2 C3'-C2'-C1' 105.48 4.422 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.956 " H5'" " O2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.022 2 C3'-C2'-C1' 105.485 4.428 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.86 ' H42' " H3'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.875 2 C5'-C4'-C3' 107.212 -5.525 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . 0.916 H5'' ' H6 ' ' B' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.923 2 C5'-C4'-C3' 107.276 -5.482 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . 1.053 " H1'" H5'' ' B' ' 33' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.565 3.749 2 C5'-C4'-C3' 108.809 -4.46 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . 1.053 H5'' " H1'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.436 1.843 2 C5'-C4'-C3' 107.626 -5.25 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.921 " H5'" " O2'" ' B' ' 33' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.436 1.826 2 C5'-C4'-C3' 107.95 -5.033 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . 0.859 ' OP1' " H4'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.436 1.869 2 C5'-C4'-C3' 108.394 -4.737 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.886 " H2'" ' H6 ' ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.996 2 C5'-C4'-C3' 107.718 -5.188 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 1.054 " O2'" " H5'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.974 2 C5'-C4'-C3' 107.852 -5.099 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . 1.054 " H5'" " O2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.129 2 C3'-C2'-C1' 105.396 4.329 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . 0.849 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.252 2 C5'-C4'-C3' 107.542 -5.305 . 0.089 &a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . 0.916 " O2'" " H5'" ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.129 2 C5'-C4'-C3' 107.697 -5.202 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . 0.916 " H5'" " O2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.951 2 C5'-C4'-C3' 108.421 -4.719 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . 0.608 ' H6 ' " O5'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.025 2 C5'-C4'-C3' 107.886 -5.076 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . 0.586 ' C8 ' " H2'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.085 2 C5'-C4'-C3' 107.676 -5.216 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . 0.732 " H2'" ' C5 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.018 2 C5'-C4'-C3' 107.961 -5.026 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.732 ' C5 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.83 2 C5'-C4'-C3' 107.552 -5.299 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.561 ' NH2' " H3'" ' B' ' 21' ' ' ' G' . 42.0 mtp180 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -104.69 120.67 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.227 -0.92 . . . . 0.0 109.443 -179.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.666 HH21 H5'' ' B' ' 23' ' ' ' U' . 0.0 OUTLIER -137.39 169.28 18.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.242 -0.911 . . . . 0.0 109.282 178.658 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.475 ' O ' ' CG2' ' A' ' 4' ' ' THR . 2.3 t -132.36 129.08 38.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.233 -0.917 . . . . 0.0 109.695 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.732 ' HB2' " H2'" ' B' ' 23' ' ' ' U' . 13.2 ptm180 -123.06 146.21 47.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.283 -0.886 . . . . 0.0 109.434 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.649 ' N ' ' CD ' ' A' ' 6' ' ' LYS . 0.9 OUTLIER 40.04 29.3 0.05 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.242 -0.911 . . . . 0.0 109.596 -179.344 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . 86.77 -26.27 6.75 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.981 HH22 H5'' ' B' ' 33' ' ' ' G' . 7.7 tpt180 -73.05 127.33 32.25 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.268 -1.136 . . . . 0.0 109.262 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.994 ' NH2' " H1'" ' B' ' 34' ' ' ' G' . 1.7 tmm_? -65.0 115.54 5.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.242 -0.911 . . . . 0.0 110.03 178.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.445 HG23 ' N ' ' A' ' 5' ' ' ARG . 0.3 OUTLIER -115.49 116.71 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.866 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.807 HH12 HO2' ' B' ' 34' ' ' ' G' . 0.2 OUTLIER -130.49 143.2 50.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 110.101 -177.676 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.6 mt -113.5 97.23 5.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 176.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo . . . . . 0 C--N 1.305 -1.758 0 C-N-CA 123.046 2.498 . . . . 0.0 111.589 175.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.432 " O2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.958 2 C5'-C4'-C3' 107.85 -5.1 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.589 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.06 2 C5'-C4'-C3' 107.662 -5.225 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.85 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.988 2 C5'-C4'-C3' 107.438 -5.375 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . 0.85 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.017 2 C5'-C4'-C3' 107.842 -5.106 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . 0.755 " O5'" ' H8 ' ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.897 2 C5'-C4'-C3' 107.868 -5.088 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.795 " O2'" H5'' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.886 2 C5'-C4'-C3' 108.202 -4.866 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 0.85 " H4'" " O2'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.074 2 C5'-C4'-C3' 106.708 -5.861 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 1.106 " H5'" " H2'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.854 2 C5'-C4'-C3' 107.33 -5.447 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . 1.106 " H2'" " H5'" ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.841 2 C5'-C4'-C3' 108.289 -4.808 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . 0.689 ' C2 ' ' C5 ' ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.962 2 C5'-C4'-C3' 108.658 -4.562 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . 1.012 " O2'" " H5'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.172 2 C5'-C4'-C3' 109.447 -4.036 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . 1.038 " O2'" " H5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.131 2 C5'-C4'-C3' 108.818 -4.455 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 1.038 " H5'" " O2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.939 2 C5'-C4'-C3' 108.824 -4.451 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.801 " H4'" ' H5 ' ' B' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.792 2 C5'-C4'-C3' 107.129 -5.58 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . 0.801 ' H5 ' " H4'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.43 -1.919 2 C5'-C4'-C3' 108.018 -4.988 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . 0.932 ' N3 ' " H2'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.557 2.96 2 C5'-C4'-C3' 107.468 -5.355 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . 0.981 H5'' HH22 ' A' ' 8' ' ' ARG . . . . . . . . 0 O4'--C4' 1.431 -1.849 2 C5'-C4'-C3' 106.946 -5.703 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.994 " H1'" ' NH2' ' A' ' 9' ' ' ARG . . . . . . . . 0 C4'--C3' 1.561 3.33 2 C5'-C4'-C3' 106.784 -5.811 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . 0.838 " H4'" ' OP1' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.861 2 C5'-C4'-C3' 107.867 -5.089 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.838 ' OP1' " H4'" ' B' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.977 2 C5'-C4'-C3' 107.902 -5.065 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.913 " O2'" " H5'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.917 2 C5'-C4'-C3' 107.792 -5.139 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . 0.913 " H5'" " O2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.121 2 C5'-C4'-C3' 108.302 -4.799 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . 0.81 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.214 2 C5'-C4'-C3' 107.915 -5.057 . 0.028 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . 0.946 " O2'" " H5'" ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.065 2 C5'-C4'-C3' 108.015 -4.99 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . 0.946 " H5'" " O2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.926 2 C5'-C4'-C3' 108.152 -4.899 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . 0.789 " H2'" ' C8 ' ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.082 2 C5'-C4'-C3' 107.754 -5.164 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . 0.789 ' C8 ' " H2'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.053 2 C5'-C4'-C3' 107.804 -5.131 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . 0.786 " H2'" ' C5 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.003 2 C5'-C4'-C3' 107.551 -5.299 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.786 ' C5 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.801 2 C5'-C4'-C3' 107.76 -5.16 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.19 119.55 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.266 -0.896 . . . . 0.0 109.456 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.471 ' NH2' ' OP2' ' B' ' 22' ' ' ' A' . 0.0 OUTLIER -138.41 165.18 27.45 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.162 -0.961 . . . . 0.0 109.274 -179.646 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.59 ' O ' " H3'" ' B' ' 23' ' ' ' U' . 88.1 m -133.36 140.33 47.32 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.248 -0.907 . . . . 0.0 109.677 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.804 ' CB ' " H2'" ' B' ' 23' ' ' ' U' . 16.9 ptm180 -138.16 156.76 47.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.272 -0.892 . . . . 0.0 109.456 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.561 ' NZ ' ' OP2' ' B' ' 27' ' ' ' A' . 1.2 mmtm 38.71 29.13 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.253 -0.904 . . . . 0.0 109.615 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . 83.15 -17.42 23.15 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.773 ' NH1' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -81.52 154.72 26.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.298 -1.119 . . . . 0.0 109.326 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.797 HH21 ' NH2' ' A' ' 11' ' ' ARG . 1.6 tmm_? -99.38 123.98 44.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.185 -0.947 . . . . 0.0 109.99 -179.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.697 ' CA ' HH11 ' A' ' 9' ' ' ARG . 0.1 OUTLIER -115.95 131.93 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 177.072 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.797 ' NH2' HH21 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -133.26 137.46 46.06 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.098 -1.001 . . . . 0.0 110.224 -179.236 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -117.47 88.07 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 176.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo . . . . . 0 C--N 1.304 -1.797 0 C-N-CA 122.975 2.45 . . . . 0.0 111.569 176.067 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.489 ' O6 ' ' N4 ' ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.028 2 C5'-C4'-C3' 107.749 -5.167 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.629 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.998 2 C5'-C4'-C3' 107.541 -5.306 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.849 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.004 2 C5'-C4'-C3' 107.62 -5.253 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . 0.849 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.941 2 C5'-C4'-C3' 107.637 -5.242 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . 0.779 ' H8 ' " O5'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.943 2 C5'-C4'-C3' 107.657 -5.228 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.647 " H5'" " O2'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.973 2 C5'-C4'-C3' 107.258 -5.494 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 0.804 " H2'" ' CB ' ' A' ' 5' ' ' ARG . . . . . . . . 0 O4'--C1' 1.438 1.982 2 C5'-C4'-C3' 107.001 -5.666 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.73 ' OP1' " H4'" ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.957 2 C5'-C4'-C3' 107.407 -5.395 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . 0.66 " C3'" " H5'" ' B' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.436 1.816 2 C5'-C4'-C3' 107.565 -5.29 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . 0.66 " H5'" " C3'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.991 2 C5'-C4'-C3' 108.021 -4.986 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . 1.018 " O2'" " H5'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.168 2 C5'-C4'-C3' 108.275 -4.817 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . 1.018 " H5'" " O2'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.09 2 C3'-C2'-C1' 105.466 4.407 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.875 " O2'" " H5'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -1.959 2 C5'-C4'-C3' 108.486 -4.676 . 0.061 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.875 " H5'" " O2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.849 2 C5'-C4'-C3' 107.675 -5.216 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . 0.776 " H4'" " O5'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.896 2 C5'-C4'-C3' 107.081 -5.612 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . 1.094 " H2'" ' C8 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.756 2 C5'-C4'-C3' 107.949 -5.034 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . 1.049 " H4'" " C5'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.913 2 C5'-C4'-C3' 107.628 -5.248 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 1.094 ' C8 ' " H2'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.561 3.344 1 C3'-C2'-C1' 105.185 4.094 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . 0.788 " H1'" ' OP2' ' B' ' 36' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.547 2.058 2 C5'-C4'-C3' 108.104 -4.931 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.949 ' N7 ' " H1'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.983 2 C5'-C4'-C3' 107.846 -5.103 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.689 ' C4 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.979 2 C5'-C4'-C3' 108.866 -4.423 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . 0.668 " H5'" " O2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.014 2 C3'-C2'-C1' 105.338 4.265 . 0.011 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . 0.753 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.237 2 C5'-C4'-C3' 108.025 -4.983 . 0.052 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . 0.821 " H2'" ' C6 ' ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.09 2 C5'-C4'-C3' 107.957 -5.029 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . 0.821 ' C6 ' " H2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.078 2 C5'-C4'-C3' 107.727 -5.182 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . 0.673 " H2'" ' C8 ' ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.039 2 C5'-C4'-C3' 107.593 -5.271 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . 0.797 " O2'" " H5'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.882 2 C5'-C4'-C3' 107.731 -5.18 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . 0.797 " H5'" " O2'" ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.028 2 C5'-C4'-C3' 107.786 -5.143 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.795 ' C5 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.818 2 C5'-C4'-C3' 107.703 -5.198 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.712 ' NH2' HH21 ' A' ' 3' ' ' ARG . 6.1 mtp180 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 p -97.25 120.37 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.226 -0.921 . . . . 0.0 109.507 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.788 ' NH1' H5'' ' B' ' 23' ' ' ' U' . 0.0 OUTLIER -145.1 170.01 17.03 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.116 -0.99 . . . . 0.0 109.238 179.311 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.616 ' O ' " H3'" ' B' ' 23' ' ' ' U' . 6.8 m -113.21 160.05 18.67 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.239 -0.913 . . . . 0.0 109.736 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.73 ' NE ' ' HZ3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -134.35 109.31 8.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.255 -0.903 . . . . 0.0 109.384 -178.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.73 ' HZ3' ' NE ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 38.61 43.71 0.71 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.228 -0.92 . . . . 0.0 109.621 179.581 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.635 ' N ' ' C6 ' ' B' ' 24' ' ' ' C' . . . 94.65 -29.65 8.85 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -80.49 111.8 17.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.236 -1.155 . . . . 0.0 109.338 179.423 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.845 HH21 HH21 ' A' ' 11' ' ' ARG . 0.8 OUTLIER -63.87 118.4 8.33 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.251 -0.906 . . . . 0.0 110.039 -178.686 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.573 ' O ' ' O ' ' A' ' 3' ' ' ARG . 0.9 OUTLIER -113.46 127.76 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.093 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.845 HH21 HH21 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -130.36 124.61 32.64 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.135 -0.978 . . . . 0.0 110.125 -178.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.8 mm -106.48 86.84 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . 0.573 ' HB3' " H1'" ' B' ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo . . . . . 0 C--N 1.305 -1.744 0 C-N-CA 123.092 2.528 . . . . 0.0 111.603 177.885 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.464 " H2'" ' C8 ' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.022 2 C5'-C4'-C3' 107.899 -5.067 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.536 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.029 2 C5'-C4'-C3' 107.378 -5.415 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.854 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.02 2 C5'-C4'-C3' 107.607 -5.262 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . 0.854 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.027 2 C5'-C4'-C3' 107.476 -5.349 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . 0.865 " O5'" ' H8 ' ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.974 2 C5'-C4'-C3' 108.072 -4.952 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.669 ' N7 ' ' NH2' ' A' ' 1' ' ' ARG . . . . . . . . 0 O4'--C4' 1.431 -1.846 2 C5'-C4'-C3' 107.504 -5.331 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 0.839 HO2' " H4'" ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -1.997 2 C5'-C4'-C3' 107.862 -5.092 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.927 " H3'" ' H6 ' ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.908 2 C5'-C4'-C3' 107.024 -5.651 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . 0.927 ' H6 ' " H3'" ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.846 2 C5'-C4'-C3' 107.569 -5.287 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . 0.754 " H5'" " C3'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.919 2 C5'-C4'-C3' 107.719 -5.187 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . 1.028 " O2'" " H5'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.2 2 C5'-C4'-C3' 108.243 -4.838 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . 1.028 " H5'" " O2'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.142 2 C3'-C2'-C1' 105.491 4.434 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 1.003 " H5'" " O2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.062 2 C3'-C2'-C1' 105.514 4.46 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.524 " O2'" ' C6 ' ' B' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.839 2 C5'-C4'-C3' 107.869 -5.087 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . 0.861 " H2'" " H1'" ' B' ' 33' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.954 2 C5'-C4'-C3' 107.453 -5.365 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . 0.894 " H4'" " O5'" ' B' ' 33' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.548 2.166 2 C5'-C4'-C3' 108.188 -4.875 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . 0.895 H5'' ' C2 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.556 2.94 2 C5'-C4'-C3' 107.334 -5.444 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.895 ' C2 ' H5'' ' B' ' 33' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.554 2.718 2 C5'-C4'-C3' 108.471 -4.686 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . 0.715 " H4'" " O5'" ' B' ' 36' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.548 2.146 2 C5'-C4'-C3' 108.304 -4.797 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.803 " H2'" ' H6 ' ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.042 2 C5'-C4'-C3' 107.659 -5.227 . 0.0 OUTLIER '7D dist 6j' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 1.015 " O2'" " H5'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.064 2 C5'-C4'-C3' 107.933 -5.045 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . 1.015 " H5'" " O2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.976 2 C5'-C4'-C3' 108.61 -4.593 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . 0.758 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.195 2 C5'-C4'-C3' 108.333 -4.778 . 0.034 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . 0.845 " H2'" ' C6 ' ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.074 2 C5'-C4'-C3' 107.799 -5.134 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . 0.845 ' C6 ' " H2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.869 2 C5'-C4'-C3' 107.841 -5.106 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . 0.805 " H2'" ' C8 ' ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.997 2 C5'-C4'-C3' 107.692 -5.205 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . 0.805 ' C8 ' " H2'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.042 2 C5'-C4'-C3' 107.493 -5.338 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . 0.86 " H2'" ' C5 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.934 2 C5'-C4'-C3' 107.718 -5.188 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.86 ' C5 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.84 2 C5'-C4'-C3' 107.857 -5.096 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.63 ' C ' ' H2 ' ' B' ' 35' ' ' ' A' . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.423 HG13 ' H61' ' B' ' 35' ' ' ' A' . 0.1 OUTLIER -101.45 123.14 54.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.216 -0.928 . . . . 0.0 109.512 -179.508 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.749 ' NH2' ' H8 ' ' B' ' 22' ' ' ' A' . 0.0 OUTLIER -139.32 170.78 15.32 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.183 -0.948 . . . . 0.0 109.242 178.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.576 ' O ' " H3'" ' B' ' 23' ' ' ' U' . 43.8 p -113.91 138.97 49.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.245 -0.909 . . . . 0.0 109.711 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.601 ' O ' ' N ' ' A' ' 8' ' ' ARG . 4.1 ttt-85 -118.37 128.96 55.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.277 -0.889 . . . . 0.0 109.451 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.471 ' CG ' ' C ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 42.89 28.17 0.12 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.303 -0.873 . . . . 0.0 109.619 179.709 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.563 ' N ' ' C5 ' ' B' ' 24' ' ' ' C' . . . 97.97 -17.13 59.21 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.677 HH21 " C2'" ' B' ' 32' ' ' ' G' . 3.1 ttt180 -80.73 174.58 11.48 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.356 -1.085 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.899 ' CZ ' " H3'" ' B' ' 34' ' ' ' G' . 14.2 ttp180 -103.88 98.96 8.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.183 -0.948 . . . . 0.0 109.964 -178.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.471 ' O ' ' O ' ' A' ' 3' ' ' ARG . 1.2 tt -98.39 128.81 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.636 ' CZ ' ' N7 ' ' B' ' 35' ' ' ' A' . 1.2 mtp180 -130.97 132.1 44.82 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.157 -0.964 . . . . 0.0 110.192 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.44 ' O ' ' HD2' ' A' ' 14' ' ' PRO . 27.4 mt -106.8 87.17 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 177.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . 0.682 ' O ' ' N3 ' ' B' ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.44 ' HD2' ' O ' ' A' ' 12' ' ' ILE . 95.3 Cg_endo . . . . . 0 C--N 1.304 -1.775 0 C-N-CA 123.052 2.502 . . . . 0.0 111.591 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.582 " H2'" ' N7 ' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.083 2 C5'-C4'-C3' 107.642 -5.239 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.582 ' N7 ' " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.121 2 C5'-C4'-C3' 107.655 -5.23 OUTLIER-DELTA 0.0 OUTLIER '7D dist 7a' 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.869 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.139 2 C5'-C4'-C3' 108.042 -4.972 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . 0.869 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.964 2 C5'-C4'-C3' 107.994 -5.004 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . 0.778 " O5'" ' H8 ' ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.971 2 C5'-C4'-C3' 107.572 -5.286 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.749 ' H8 ' ' NH2' ' A' ' 3' ' ' ARG . . . . . . . . 0 O4'--C1' 1.437 1.946 2 C5'-C4'-C3' 107.516 -5.323 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 0.916 ' H6 ' H5'' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.053 2 C5'-C4'-C3' 107.172 -5.552 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 1.036 ' OP2' " H2'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.933 2 C5'-C4'-C3' 107.159 -5.561 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . 1.036 " H2'" ' OP2' ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.795 2 C5'-C4'-C3' 107.375 -5.416 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . 0.62 ' N7 ' ' N3 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.94 1 C5'-C4'-C3' 107.637 -5.242 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . 1.054 " O2'" " H5'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.229 2 C5'-C4'-C3' 107.997 -5.002 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . 1.054 " H5'" " O2'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.119 2 C5'-C4'-C3' 108.551 -4.632 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.83 " H5'" " O2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.92 2 C5'-C4'-C3' 108.059 -4.96 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.837 " H1'" ' C6 ' ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.436 1.846 2 C5'-C4'-C3' 107.429 -5.381 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . 0.94 " H2'" ' N2 ' ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.951 2 C5'-C4'-C3' 107.874 -5.084 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . 0.94 ' N2 ' " H2'" ' B' ' 31' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.565 3.761 2 C3'-C2'-C1' 105.354 4.283 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . 0.905 ' P ' " O2'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.562 3.45 1 C3'-C2'-C1' 105.379 4.311 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.899 " H3'" ' CZ ' ' A' ' 9' ' ' ARG . . . . . . . . 0 C4'--C3' 1.555 2.827 2 C5'-C4'-C3' 108.048 -4.968 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . 0.702 " H5'" HO2' ' B' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.551 2.466 2 C5'-C4'-C3' 107.847 -5.102 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.8 ' C8 ' " H5'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.993 2 C5'-C4'-C3' 108.002 -4.999 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.974 " O2'" " H5'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.963 2 C5'-C4'-C3' 107.751 -5.166 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . 0.974 " H5'" " O2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.01 2 C5'-C4'-C3' 108.516 -4.656 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . 0.694 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.235 2 C5'-C4'-C3' 108.012 -4.992 . 0.022 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . 0.866 " H2'" ' C6 ' ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.026 2 C5'-C4'-C3' 108.183 -4.878 . 0.033 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . 0.866 ' C6 ' " H2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.917 2 C5'-C4'-C3' 108.223 -4.852 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . 0.748 " H2'" ' C8 ' ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.99 2 C5'-C4'-C3' 107.686 -5.209 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . 0.748 ' C8 ' " H2'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.038 2 C5'-C4'-C3' 107.568 -5.288 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . 0.776 " H2'" ' C5 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.072 2 C5'-C4'-C3' 107.763 -5.158 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.776 ' C5 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.803 2 C5'-C4'-C3' 107.672 -5.219 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.658 ' NH2' ' P ' ' B' ' 21' ' ' ' G' . 5.4 ptp85 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.11 135.95 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.274 -0.891 . . . . 0.0 109.493 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.884 ' NH1' " H2'" ' B' ' 22' ' ' ' A' . 4.7 ttm-85 -140.22 172.19 13.1 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.221 -0.924 . . . . 0.0 109.253 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.47 ' H ' ' HG2' ' A' ' 3' ' ' ARG . 1.1 p -124.41 167.82 13.88 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.213 -0.929 . . . . 0.0 109.726 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.607 ' NH1' ' C5 ' ' B' ' 27' ' ' ' A' . 1.1 ttp180 -164.77 133.83 3.57 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.243 -0.91 . . . . 0.0 109.403 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.725 ' NZ ' " H1'" ' B' ' 24' ' ' ' C' . 0.0 OUTLIER 45.42 25.71 0.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.297 -0.877 . . . . 0.0 109.552 -179.211 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.497 ' N ' ' C5 ' ' B' ' 24' ' ' ' C' . . . 88.63 7.12 72.19 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.913 ' HE ' " H2'" ' B' ' 31' ' ' ' U' . 0.0 OUTLIER -106.47 137.11 45.05 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.257 -1.143 . . . . 0.0 109.343 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.926 HH21 " H2'" ' B' ' 34' ' ' ' G' . 15.6 ttp180 -83.47 103.87 13.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.26 -0.9 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 3' ' ' ARG . 1.5 pt -99.71 137.71 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.808 HH21 ' CZ ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -116.12 131.16 57.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.07 -1.019 . . . . 0.0 110.195 -178.171 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.642 ' N ' ' H2 ' ' B' ' 35' ' ' ' A' . 0.5 OUTLIER -109.86 92.82 2.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 177.806 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . 0.706 ' O ' ' C2 ' ' B' ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo . . . . . 0 C--N 1.303 -1.839 0 C-N-CA 122.995 2.463 . . . . 0.0 111.622 -176.902 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.592 ' H8 ' HO5' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.987 2 C5'-C4'-C3' 107.769 -5.154 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.646 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.039 2 C5'-C4'-C3' 107.427 -5.382 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.89 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.003 2 C5'-C4'-C3' 107.522 -5.318 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . 0.89 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.05 2 C5'-C4'-C3' 107.778 -5.148 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . 0.834 ' H8 ' " O5'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.015 2 C5'-C4'-C3' 107.945 -5.037 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.932 " O2'" H5'' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.955 2 C5'-C4'-C3' 107.784 -5.144 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 0.957 ' O2 ' " H2'" ' B' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.1 2 C5'-C4'-C3' 107.713 -5.191 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.725 " H1'" ' NZ ' ' A' ' 6' ' ' LYS . . . . . . . . 0 C4'--C3' 1.559 3.224 2 C5'-C4'-C3' 106.74 -5.84 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . 0.792 " O2'" " H4'" ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.803 2 C5'-C4'-C3' 107.819 -5.121 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . 0.957 " H2'" ' O2 ' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.015 2 C5'-C4'-C3' 108.432 -4.712 . 0.0 OUTLIER '7D dist 6d' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . 0.947 " O2'" " H5'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.14 2 C5'-C4'-C3' 108.134 -4.911 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . 0.986 " O2'" " H5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.113 2 C5'-C4'-C3' 107.216 -5.523 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.986 " H5'" " O2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.1 2 C3'-C2'-C1' 105.563 4.515 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.832 ' C6 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.844 2 C5'-C4'-C3' 107.431 -5.379 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1t' 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . 0.913 " H2'" ' HE ' ' A' ' 8' ' ' ARG . . . . . . . . 0 O4'--C4' 1.43 -1.882 2 C5'-C4'-C3' 108.031 -4.979 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . 0.992 " H1'" H5'' ' B' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.564 3.656 2 C5'-C4'-C3' 108.092 -4.938 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . 0.755 " H2'" " O4'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.879 2 C5'-C4'-C3' 106.617 -5.922 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.992 H5'' " H1'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.435 1.778 2 C5'-C4'-C3' 108.128 -4.915 OUTLIER-EPSILON 0.0 OUTLIER beta 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . 0.706 ' C2 ' ' O ' ' A' ' 13' ' ' DPR . . . . . . . . 0 O4'--C4' 1.431 -1.815 2 C5'-C4'-C3' 107.33 -5.447 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.674 " C5'" " H4'" ' B' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.961 2 C5'-C4'-C3' 107.911 -5.059 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . 0.879 " O2'" " H5'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.031 2 C5'-C4'-C3' 107.609 -5.261 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . 0.879 " H5'" " O2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.111 2 C3'-C2'-C1' 105.375 4.305 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . 0.821 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.246 2 C5'-C4'-C3' 108.772 -4.485 . 0.048 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . 0.891 " O2'" " H5'" ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.108 2 C5'-C4'-C3' 108.017 -4.989 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . 0.891 " H5'" " O2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.033 2 C5'-C4'-C3' 108.51 -4.66 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . 0.694 " H2'" ' C8 ' ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.964 2 C5'-C4'-C3' 107.746 -5.169 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . 0.694 ' C8 ' " H2'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.006 2 C5'-C4'-C3' 107.708 -5.195 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . 0.839 " H2'" ' C5 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.937 2 C5'-C4'-C3' 107.734 -5.177 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.839 ' C5 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.843 2 C5'-C4'-C3' 107.641 -5.239 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.678 HH21 HH12 ' A' ' 3' ' ' ARG . 56.5 mtp180 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.464 ' O ' HG22 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -129.88 118.34 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.155 -0.966 . . . . 0.0 109.53 178.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.678 HH12 HH21 ' A' ' 1' ' ' ARG . 0.0 OUTLIER -137.15 175.1 9.92 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.178 -0.951 . . . . 0.0 109.241 -179.341 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 t -114.09 139.52 49.24 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.233 -0.917 . . . . 0.0 109.72 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.643 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -117.28 135.23 53.98 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.336 -0.852 . . . . 0.0 109.403 -179.449 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 5' ' ' ARG . 4.8 mttm 41.6 33.78 0.33 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.292 -0.88 . . . . 0.0 109.568 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.16 -20.5 29.28 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.643 ' N ' ' O ' ' A' ' 5' ' ' ARG . 15.7 mtp180 -80.29 162.99 24.29 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.341 -1.094 . . . . 0.0 109.328 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.525 HH11 ' HD2' ' A' ' 11' ' ' ARG . 4.4 ttm180 -90.87 120.06 31.59 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.219 -0.926 . . . . 0.0 110.011 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.422 ' O ' ' O ' ' A' ' 3' ' ' ARG . 1.8 tt -119.83 128.77 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.525 ' HD2' HH11 ' A' ' 9' ' ' ARG . 47.5 mtp180 -119.88 138.43 53.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.134 -0.979 . . . . 0.0 110.162 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.6 mm . . . . . 0 C--N 1.302 -1.477 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.621 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.544 ' NH2' ' NH1' ' A' ' 3' ' ' ARG . 25.7 mtp85 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.509 ' HB ' HH11 ' A' ' 11' ' ' ARG . 0.2 OUTLIER -105.01 125.08 60.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.215 -0.928 . . . . 0.0 109.521 -178.756 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.544 ' NH1' ' NH2' ' A' ' 1' ' ' ARG . 0.1 OUTLIER -141.81 154.01 44.91 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.183 -0.948 . . . . 0.0 109.257 178.841 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.51 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 2.8 m -113.46 125.38 54.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 0.0 109.662 -179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -113.02 124.36 52.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -0.891 . . . . 0.0 109.437 179.246 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.464 ' HD2' HH12 ' A' ' 5' ' ' ARG . 0.0 OUTLIER 42.61 31.1 0.27 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.299 -0.876 . . . . 0.0 109.6 179.514 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.42 -28.48 15.23 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -73.0 110.78 7.55 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.321 -1.105 . . . . 0.0 109.347 -179.697 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.897 ' CZ ' HH22 ' A' ' 11' ' ' ARG . 0.3 OUTLIER -71.32 94.37 1.2 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.185 -0.947 . . . . 0.0 109.947 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.524 ' O ' HD12 ' A' ' 10' ' ' ILE . 2.1 pp -90.95 120.8 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.897 HH22 ' CZ ' ' A' ' 9' ' ' ARG . 3.6 ttp-105 -129.14 130.87 46.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.141 -0.974 . . . . 0.0 110.217 -177.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.5 mt . . . . . 0 C--N 1.302 -1.481 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 174.644 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.591 ' NH2' ' NH2' ' A' ' 3' ' ' ARG . 40.6 mtp180 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.2 134.43 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.244 -0.91 . . . . 0.0 109.499 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.591 ' NH2' ' NH2' ' A' ' 1' ' ' ARG . 0.0 OUTLIER -155.5 166.97 31.91 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.243 -0.91 . . . . 0.0 109.352 179.281 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.425 ' HA ' ' H ' ' A' ' 10' ' ' ILE . 1.9 m -132.64 130.38 40.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.922 . . . . 0.0 109.678 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.537 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -128.03 156.03 43.4 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.889 . . . . 0.0 109.352 179.216 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 5' ' ' ARG . 4.2 mttt 40.88 27.64 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.183 -0.948 . . . . 0.0 109.618 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . 84.6 -22.05 9.74 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -77.34 140.6 40.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.363 -1.081 . . . . 0.0 109.263 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.756 HH11 ' NE ' ' A' ' 11' ' ' ARG . 6.4 ttm180 -80.55 105.75 12.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.215 -0.928 . . . . 0.0 110.027 -179.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.624 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -98.4 120.59 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.661 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.756 ' NE ' HH11 ' A' ' 9' ' ' ARG . 53.0 mtm180 -131.98 161.73 32.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.121 -0.987 . . . . 0.0 110.184 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.315 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 12' ' ' ILE . 5.2 ttt180 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -101.22 116.17 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.213 -0.929 . . . . 0.0 109.481 -178.276 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.447 ' HG3' ' C ' ' A' ' 2' ' ' VAL . 0.6 OUTLIER -131.1 168.88 16.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.225 -0.922 . . . . 0.0 109.239 177.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.511 HG22 ' HA ' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -133.17 143.36 49.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.224 -0.922 . . . . 0.0 109.681 -179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.622 ' O ' ' N ' ' A' ' 8' ' ' ARG . 4.7 ptm85 -138.69 148.27 43.77 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.297 -0.877 . . . . 0.0 109.402 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 5' ' ' ARG . 21.8 mmtt 40.54 28.45 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.343 -0.848 . . . . 0.0 109.551 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . 87.58 -20.43 27.41 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.622 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -74.23 159.28 32.71 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.282 -1.128 . . . . 0.0 109.342 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.939 HH11 ' NH2' ' A' ' 11' ' ' ARG . 12.2 ttm180 -106.29 111.66 24.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.2 -0.938 . . . . 0.0 110.04 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.66 ' O ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -107.9 100.13 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 177.474 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.939 ' NH2' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -117.42 124.65 49.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.151 -0.968 . . . . 0.0 110.175 -177.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 1' ' ' ARG . 1.2 mm . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.734 HH12 ' NE ' ' A' ' 3' ' ' ARG . 5.8 mtp-105 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.78 130.71 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.176 -0.952 . . . . 0.0 109.494 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.734 ' NE ' HH12 ' A' ' 1' ' ' ARG . 0.9 OUTLIER -144.96 169.51 17.94 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.225 -0.922 . . . . 0.0 109.191 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.422 ' HA ' ' H ' ' A' ' 10' ' ' ILE . 13.8 m -132.98 132.75 42.28 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.232 -0.918 . . . . 0.0 109.666 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.426 ' HD2' HG21 ' A' ' 10' ' ' ILE . 4.6 ptm180 -133.64 135.38 44.12 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.244 -0.91 . . . . 0.0 109.4 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.66 ' N ' ' CD ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER 54.16 29.65 10.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.336 -0.853 . . . . 0.0 109.604 179.61 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.85 -0.33 86.86 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.89 122.67 42.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.219 -1.165 . . . . 0.0 109.365 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.625 ' NH1' ' CZ ' ' A' ' 11' ' ' ARG . 22.7 ttp85 -65.91 93.62 0.19 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.218 -0.926 . . . . 0.0 109.981 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.61 HD12 ' N ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -90.37 111.09 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.47 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.625 ' CZ ' ' NH1' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -119.59 132.3 55.69 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.192 -0.942 . . . . 0.0 110.159 -179.212 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 1' ' ' ARG . 5.2 mm . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -104.69 120.67 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.227 -0.92 . . . . 0.0 109.443 -179.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -137.39 169.28 18.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.242 -0.911 . . . . 0.0 109.282 178.658 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.475 ' O ' ' CG2' ' A' ' 4' ' ' THR . 2.3 t -132.36 129.08 38.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.233 -0.917 . . . . 0.0 109.695 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.574 ' O ' ' N ' ' A' ' 8' ' ' ARG . 13.2 ptm180 -123.06 146.21 47.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.283 -0.886 . . . . 0.0 109.434 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.649 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 0.9 OUTLIER 40.04 29.3 0.05 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.242 -0.911 . . . . 0.0 109.596 -179.344 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . 86.77 -26.27 6.75 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.574 ' N ' ' O ' ' A' ' 5' ' ' ARG . 7.7 tpt180 -73.05 127.33 32.25 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.268 -1.136 . . . . 0.0 109.262 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.748 ' NH1' ' O ' ' A' ' 9' ' ' ARG . 1.7 tmm_? -65.0 115.54 5.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.242 -0.911 . . . . 0.0 110.03 178.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.485 HD12 ' N ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -115.49 116.71 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.866 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.695 ' CZ ' ' NE ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -130.49 143.2 50.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 110.101 -177.676 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.6 mt . . . . . 0 C--N 1.303 -1.431 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 176.904 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.19 119.55 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.266 -0.896 . . . . 0.0 109.456 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.41 165.18 27.45 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.162 -0.961 . . . . 0.0 109.274 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 8' ' ' ARG . 88.1 m -133.36 140.33 47.32 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.248 -0.907 . . . . 0.0 109.677 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.669 ' O ' ' N ' ' A' ' 8' ' ' ARG . 16.9 ptm180 -138.16 156.76 47.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.272 -0.892 . . . . 0.0 109.456 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 5' ' ' ARG . 1.2 mmtm 38.71 29.13 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.253 -0.904 . . . . 0.0 109.615 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . 83.15 -17.42 23.15 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.829 ' NH1' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -81.52 154.72 26.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.298 -1.119 . . . . 0.0 109.326 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.829 ' H ' ' NH1' ' A' ' 8' ' ' ARG . 1.6 tmm_? -99.38 123.98 44.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.185 -0.947 . . . . 0.0 109.99 -179.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.708 ' CA ' HH11 ' A' ' 9' ' ' ARG . 0.1 OUTLIER -115.95 131.93 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 177.072 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.803 ' NH2' HH21 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -133.26 137.46 46.06 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.098 -1.001 . . . . 0.0 110.224 -179.236 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.301 -1.511 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 176.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.721 ' NH2' HH21 ' A' ' 3' ' ' ARG . 6.1 mtp180 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 p -97.25 120.37 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.226 -0.921 . . . . 0.0 109.507 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.721 HH21 ' NH2' ' A' ' 1' ' ' ARG . 0.0 OUTLIER -145.1 170.01 17.03 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.116 -0.99 . . . . 0.0 109.238 179.311 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 6.8 m -113.21 160.05 18.67 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.239 -0.913 . . . . 0.0 109.736 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.861 ' NE ' ' HZ3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -134.35 109.31 8.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.255 -0.903 . . . . 0.0 109.384 -178.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.861 ' HZ3' ' NE ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 38.61 43.71 0.71 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.228 -0.92 . . . . 0.0 109.621 179.581 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.65 -29.65 8.85 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -80.49 111.8 17.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.236 -1.155 . . . . 0.0 109.338 179.423 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.863 HH21 HH21 ' A' ' 11' ' ' ARG . 0.8 OUTLIER -63.87 118.4 8.33 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.251 -0.906 . . . . 0.0 110.039 -178.686 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.573 ' O ' ' O ' ' A' ' 3' ' ' ARG . 0.9 OUTLIER -113.46 127.76 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.093 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.863 HH21 HH21 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -130.36 124.61 32.64 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.135 -0.978 . . . . 0.0 110.125 -178.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.8 mm . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 177.694 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.405 ' O ' HG22 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -101.45 123.14 54.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.216 -0.928 . . . . 0.0 109.512 -179.508 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.471 ' O ' ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -139.32 170.78 15.32 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.183 -0.948 . . . . 0.0 109.242 178.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.8 p -113.91 138.97 49.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.245 -0.909 . . . . 0.0 109.711 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.601 ' O ' ' N ' ' A' ' 8' ' ' ARG . 4.1 ttt-85 -118.37 128.96 55.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.277 -0.889 . . . . 0.0 109.451 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.471 ' CG ' ' C ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 42.89 28.17 0.12 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.303 -0.873 . . . . 0.0 109.619 179.709 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . 97.97 -17.13 59.21 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.601 ' N ' ' O ' ' A' ' 5' ' ' ARG . 3.1 ttt180 -80.73 174.58 11.48 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.356 -1.085 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -103.88 98.96 8.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.183 -0.948 . . . . 0.0 109.964 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.471 ' O ' ' O ' ' A' ' 3' ' ' ARG . 1.2 tt -98.39 128.81 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.298 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -130.97 132.1 44.82 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.157 -0.964 . . . . 0.0 110.192 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 1' ' ' ARG . 27.4 mt . . . . . 0 C--N 1.301 -1.504 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.515 HH11 ' HD2' ' A' ' 1' ' ' ARG . 5.4 ptp85 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.11 135.95 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.274 -0.891 . . . . 0.0 109.493 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.443 HH11 ' HG3' ' A' ' 3' ' ' ARG . 4.7 ttm-85 -140.22 172.19 13.1 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.221 -0.924 . . . . 0.0 109.253 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.433 ' H ' ' HG2' ' A' ' 3' ' ' ARG . 1.1 p -124.41 167.82 13.88 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.213 -0.929 . . . . 0.0 109.726 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 8' ' ' ARG . 1.1 ttp180 -164.77 133.83 3.57 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.243 -0.91 . . . . 0.0 109.403 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.424 ' H ' ' HE2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER 45.42 25.71 0.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.297 -0.877 . . . . 0.0 109.552 -179.211 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.63 7.12 72.19 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -106.47 137.11 45.05 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.257 -1.143 . . . . 0.0 109.343 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.828 ' CZ ' HH21 ' A' ' 11' ' ' ARG . 15.6 ttp180 -83.47 103.87 13.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.26 -0.9 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 3' ' ' ARG . 1.5 pt -99.71 137.71 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.828 HH21 ' CZ ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -116.12 131.16 57.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.07 -1.019 . . . . 0.0 110.195 -178.171 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.402 HD13 ' C ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.302 -1.479 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 177.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.678 HH21 HH12 ' A' ' 3' ' ' ARG . 56.5 mtp180 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.464 ' O ' HG22 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -129.88 118.34 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.155 -0.966 . . . . 0.0 109.53 178.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.678 HH12 HH21 ' A' ' 1' ' ' ARG . 0.0 OUTLIER -137.15 175.1 9.92 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.178 -0.951 . . . . 0.0 109.241 -179.341 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.614 ' O ' " H3'" ' B' ' 23' ' ' ' U' . 2.0 t -114.09 139.52 49.24 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.233 -0.917 . . . . 0.0 109.72 178.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.66 ' CG ' " H2'" ' B' ' 23' ' ' ' U' . 0.0 OUTLIER -117.28 135.23 53.98 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.336 -0.852 . . . . 0.0 109.403 -179.449 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 5' ' ' ARG . 4.8 mttm 41.6 33.78 0.33 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.292 -0.88 . . . . 0.0 109.568 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.16 -20.5 29.28 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.775 ' NH2' " H1'" ' B' ' 32' ' ' ' G' . 15.7 mtp180 -80.29 162.99 24.29 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.341 -1.094 . . . . 0.0 109.328 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.943 ' O ' " H2'" ' B' ' 34' ' ' ' G' . 4.4 ttm180 -90.87 120.06 31.59 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.219 -0.926 . . . . 0.0 110.011 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.422 ' O ' ' O ' ' A' ' 3' ' ' ARG . 1.8 tt -119.83 128.77 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.635 ' CB ' ' C8 ' ' B' ' 35' ' ' ' A' . 47.5 mtp180 -119.88 138.43 53.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.134 -0.979 . . . . 0.0 110.162 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.6 mm -130.46 109.57 17.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' DPR . . . . . 0.687 ' O ' ' C5 ' ' B' ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo . . . . . 0 C--N 1.306 -1.709 0 C-N-CA 122.998 2.465 . . . . 0.0 111.583 178.528 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.435 " H2'" ' C8 ' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.036 2 C5'-C4'-C3' 107.707 -5.196 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.539 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.1 2 C5'-C4'-C3' 107.703 -5.198 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . 0.833 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.022 2 C5'-C4'-C3' 107.598 -5.268 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . 0.833 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.892 2 C5'-C4'-C3' 107.961 -5.026 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . 0.693 ' H8 ' HO2' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.972 2 C5'-C4'-C3' 107.353 -5.432 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.812 " O2'" H5'' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.863 2 C5'-C4'-C3' 107.362 -5.425 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . 0.876 " H4'" ' OP1' ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -2.039 2 C5'-C4'-C3' 107.036 -5.643 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . 1.107 " H3'" " H5'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.937 2 C5'-C4'-C3' 106.749 -5.834 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . 1.107 " H5'" " H3'" ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.876 2 C5'-C4'-C3' 107.732 -5.179 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . 0.686 H5'' " H3'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.973 2 C5'-C4'-C3' 107.92 -5.053 . 0.0 OUTLIER '7D dist 6d' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . 0.875 " H2'" ' H8 ' ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.2 2 C5'-C4'-C3' 108.239 -4.841 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . 0.875 ' H8 ' " H2'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.019 2 C5'-C4'-C3' 107.553 -5.298 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.722 ' C6 ' " H2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.057 2 C5'-C4'-C3' 108.34 -4.774 . 0.042 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.935 " H1'" ' C6 ' ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.932 2 C5'-C4'-C3' 107.655 -5.23 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . 0.76 ' H6 ' " O3'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.907 2 C5'-C4'-C3' 107.25 -5.5 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . 0.983 " H4'" " H5'" ' B' ' 33' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.544 1.86 2 C5'-C4'-C3' 107.451 -5.366 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . 0.983 " H5'" " H4'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.817 2 C5'-C4'-C3' 108.121 -4.919 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.943 " H2'" ' O ' ' A' ' 9' ' ' ARG . . . . . . . . 0 O4'--C1' 1.435 1.768 2 C5'-C4'-C3' 107.383 -5.412 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . 0.947 ' N3 ' " H2'" ' B' ' 35' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.552 2.58 2 C5'-C4'-C3' 107.487 -5.342 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.83 ' C8 ' " H5'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.051 2 C5'-C4'-C3' 107.754 -5.164 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . 0.797 " O2'" " H5'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.941 2 C5'-C4'-C3' 107.399 -5.401 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . 0.797 " H5'" " O2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.038 2 C5'-C4'-C3' 108.246 -4.836 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . 0.704 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.251 2 C5'-C4'-C3' 108.402 -4.732 . 0.021 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.871 " H2'" ' C6 ' ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.116 2 C5'-C4'-C3' 107.854 -5.097 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . 0.871 ' C6 ' " H2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.025 2 C5'-C4'-C3' 107.718 -5.188 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . 0.683 ' C6 ' " H2'" ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.026 2 C5'-C4'-C3' 107.706 -5.196 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . 0.481 ' C8 ' " H2'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.042 2 C5'-C4'-C3' 107.491 -5.339 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . 0.798 " H2'" ' C5 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.889 2 C5'-C4'-C3' 107.712 -5.192 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.798 ' C5 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.861 2 C5'-C4'-C3' 107.638 -5.242 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.544 ' NH2' ' NH1' ' A' ' 3' ' ' ARG . 25.7 mtp85 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.509 ' HB ' HH11 ' A' ' 11' ' ' ARG . 0.2 OUTLIER -105.01 125.08 60.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.215 -0.928 . . . . 0.0 109.521 -178.756 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.734 HH22 ' H8 ' ' B' ' 22' ' ' ' A' . 0.1 OUTLIER -141.81 154.01 44.91 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.183 -0.948 . . . . 0.0 109.257 178.841 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.51 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 2.8 m -113.46 125.38 54.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 0.0 109.662 -179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.921 HH22 " H3'" ' B' ' 27' ' ' ' A' . 0.3 OUTLIER -113.02 124.36 52.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -0.891 . . . . 0.0 109.437 179.246 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.464 ' HD2' HH12 ' A' ' 5' ' ' ARG . 0.0 OUTLIER 42.61 31.1 0.27 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.299 -0.876 . . . . 0.0 109.6 179.514 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.42 -28.48 15.23 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.686 ' NE ' ' N7 ' ' B' ' 34' ' ' ' G' . 0.0 OUTLIER -73.0 110.78 7.55 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.321 -1.105 . . . . 0.0 109.347 -179.697 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 1.001 ' NH1' " H1'" ' B' ' 33' ' ' ' G' . 0.3 OUTLIER -71.32 94.37 1.2 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.185 -0.947 . . . . 0.0 109.947 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.524 ' O ' HD12 ' A' ' 10' ' ' ILE . 2.1 pp -90.95 120.8 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.897 HH22 ' CZ ' ' A' ' 9' ' ' ARG . 3.6 ttp-105 -129.14 130.87 46.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.141 -0.974 . . . . 0.0 110.217 -177.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.5 mt -104.66 89.68 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 174.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' DPR . . . . . 0.547 ' CB ' " O2'" ' B' ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo . . . . . 0 C--N 1.303 -1.816 0 C-N-CA 123.032 2.488 . . . . 0.0 111.643 178.759 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.449 " H2'" ' C8 ' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.989 2 C5'-C4'-C3' 107.808 -5.128 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.539 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.077 2 C5'-C4'-C3' 107.721 -5.186 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . 0.949 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.057 2 C5'-C4'-C3' 107.796 -5.136 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . 0.949 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.885 2 C5'-C4'-C3' 107.859 -5.094 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . 0.843 ' H8 ' " O5'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.939 2 C5'-C4'-C3' 108.36 -4.76 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.734 ' H8 ' HH22 ' A' ' 3' ' ' ARG . . . . . . . . 0 O4'--C4' 1.43 -1.939 2 C5'-C4'-C3' 107.253 -5.498 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . 0.639 " H4'" HO2' ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.057 2 C5'-C4'-C3' 107.738 -5.175 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . 1.08 " H5'" " H5'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.852 2 C5'-C4'-C3' 107.018 -5.655 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . 1.08 " H5'" " H5'" ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.792 2 C5'-C4'-C3' 107.627 -5.248 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . 0.667 ' C2 ' ' C5 ' ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.029 2 C5'-C4'-C3' 108.483 -4.678 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . 0.921 " H3'" HH22 ' A' ' 5' ' ' ARG . . . . . . . . 0 O4'--C1' 1.441 2.231 2 C5'-C4'-C3' 108.776 -4.482 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . 1.025 " O2'" " H5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.158 2 C5'-C4'-C3' 108.748 -4.502 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 1.025 " H5'" " O2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.009 2 C3'-C2'-C1' 105.524 4.471 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.737 " H5'" ' H5 ' ' B' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.905 2 C5'-C4'-C3' 108.116 -4.923 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . 0.737 ' H5 ' " H5'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -1.964 2 C5'-C4'-C3' 108.093 -4.938 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . 0.994 " H1'" ' H1 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.432 -1.734 2 C5'-C4'-C3' 107.535 -5.31 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . 1.001 " H1'" ' NH1' ' A' ' 9' ' ' ARG . . . . . . . . 0 O4'--C1' 1.436 1.858 2 C5'-C4'-C3' 107.039 -5.641 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.994 ' H1 ' " H1'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.502 -2.024 2 C5'-C4'-C3' 107.775 -5.15 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . 0.877 ' C8 ' ' NE ' ' A' ' 11' ' ' ARG . . . . . . . . 0 P--O5' 1.611 1.769 2 C5'-C4'-C3' 108.097 -4.935 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.725 " O5'" " H4'" ' B' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.025 2 C5'-C4'-C3' 107.956 -5.029 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . 0.665 ' O2 ' " H2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.952 2 C5'-C4'-C3' 107.565 -5.29 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . 0.535 " H2'" ' C6 ' ' B' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.083 2 C5'-C4'-C3' 108.607 -4.596 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . 0.793 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.193 2 C5'-C4'-C3' 108.582 -4.612 . 0.028 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.853 " O2'" " H5'" ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.107 2 C5'-C4'-C3' 108.021 -4.986 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . 0.853 " H5'" " O2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.991 2 C5'-C4'-C3' 108.317 -4.788 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . 0.805 " H2'" ' C8 ' ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.077 2 C5'-C4'-C3' 107.783 -5.145 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . 0.805 ' C8 ' " H2'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.006 2 C5'-C4'-C3' 107.572 -5.285 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . 0.678 " H2'" ' C6 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.002 2 C5'-C4'-C3' 107.797 -5.135 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.678 ' C6 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.863 2 C5'-C4'-C3' 107.662 -5.225 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.591 ' NH2' ' NH2' ' A' ' 3' ' ' ARG . 40.6 mtp180 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.2 134.43 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.244 -0.91 . . . . 0.0 109.499 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.591 ' NH2' ' NH2' ' A' ' 1' ' ' ARG . 0.0 OUTLIER -155.5 166.97 31.91 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.243 -0.91 . . . . 0.0 109.352 179.281 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.456 ' O ' ' OP2' ' B' ' 24' ' ' ' C' . 1.9 m -132.64 130.38 40.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.922 . . . . 0.0 109.678 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.686 ' NH2' ' C8 ' ' B' ' 27' ' ' ' A' . 0.0 OUTLIER -128.03 156.03 43.4 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.889 . . . . 0.0 109.352 179.216 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 5' ' ' ARG . 4.2 mttt 40.88 27.64 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.183 -0.948 . . . . 0.0 109.618 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . 84.6 -22.05 9.74 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.878 ' NE ' ' N7 ' ' B' ' 34' ' ' ' G' . 0.0 OUTLIER -77.34 140.6 40.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.363 -1.081 . . . . 0.0 109.263 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 1.008 HH21 " H2'" ' B' ' 33' ' ' ' G' . 6.4 ttm180 -80.55 105.75 12.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.215 -0.928 . . . . 0.0 110.027 -179.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.624 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -98.4 120.59 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.661 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.756 ' NE ' HH11 ' A' ' 9' ' ' ARG . 53.0 mtm180 -131.98 161.73 32.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.121 -0.987 . . . . 0.0 110.184 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.4 mt -148.88 96.27 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' DPR . . . . . 0.606 ' CD ' " H5'" ' B' ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo . . . . . 0 C--N 1.305 -1.758 0 C-N-CA 123.002 2.468 . . . . 0.0 111.56 178.687 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.109 2 C5'-C4'-C3' 107.893 -5.071 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.417 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.097 2 C5'-C4'-C3' 107.518 -5.321 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . 0.968 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.116 2 C5'-C4'-C3' 107.847 -5.102 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . 0.968 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.985 2 C5'-C4'-C3' 108.068 -4.954 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . 0.768 ' H8 ' " O5'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.04 2 C5'-C4'-C3' 107.804 -5.131 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.76 " H5'" " O2'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.886 2 C5'-C4'-C3' 107.999 -5.001 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . 0.903 ' H6 ' H5'' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.961 2 C5'-C4'-C3' 106.95 -5.7 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . 0.665 " H5'" ' H6 ' ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.944 2 C5'-C4'-C3' 107.375 -5.417 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . 0.665 ' H6 ' " H5'" ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.432 -1.764 2 C5'-C4'-C3' 107.626 -5.25 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . 0.667 ' C6 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.981 2 C5'-C4'-C3' 107.647 -5.235 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . 1.068 " O2'" " H5'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.223 2 C5'-C4'-C3' 108.018 -4.988 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . 1.068 " H5'" " O2'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.129 2 C5'-C4'-C3' 108.863 -4.425 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.642 ' N4 ' ' C6 ' ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.012 2 C5'-C4'-C3' 107.799 -5.134 . 0.019 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.797 " H1'" ' N7 ' ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.874 2 C5'-C4'-C3' 107.381 -5.412 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . 0.789 ' C5 ' " H4'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.829 2 C3'-C2'-C1' 105.961 4.956 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . 0.84 " H1'" HH12 ' A' ' 8' ' ' ARG . . . . . . . . 0 O4'--C4' 1.433 -1.678 2 C5'-C4'-C3' 108.797 -4.469 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . 1.008 " H2'" HH21 ' A' ' 9' ' ' ARG . . . . . . . . 0 O4'--C1' 1.437 1.877 2 C5'-C4'-C3' 107.399 -5.401 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.878 ' N7 ' ' NE ' ' A' ' 8' ' ' ARG . . . . . . . . 1 C4'--C3' 1.617 8.488 2 C5'-C4'-C3' 108.213 -4.858 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . 0.834 ' OP1' " H1'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.549 2.273 2 C5'-C4'-C3' 104.287 -7.475 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.866 ' C8 ' " H5'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.039 2 C5'-C4'-C3' 108.951 -4.366 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . 0.851 ' C6 ' " H2'" ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.929 2 C5'-C4'-C3' 107.623 -5.251 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . 0.797 " H5'" " O2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.003 2 C5'-C4'-C3' 108.718 -4.521 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . 0.853 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.219 2 C5'-C4'-C3' 107.648 -5.235 . 0.069 &a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.853 ' C6 ' " H2'" ' B' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.144 2 C5'-C4'-C3' 107.842 -5.105 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . 0.781 ' C6 ' " H2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.964 2 C5'-C4'-C3' 108.327 -4.782 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . 0.778 " H2'" ' C8 ' ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.036 2 C5'-C4'-C3' 107.634 -5.244 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . 0.778 ' C8 ' " H2'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.954 2 C5'-C4'-C3' 107.761 -5.159 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . 0.711 " H2'" ' C5 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.987 2 C5'-C4'-C3' 107.832 -5.112 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.711 ' C5 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.796 2 C5'-C4'-C3' 107.652 -5.232 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.671 ' NH2' ' C8 ' ' B' ' 21' ' ' ' G' . 5.2 ttt180 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -101.22 116.17 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.213 -0.929 . . . . 0.0 109.481 -178.276 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.447 ' HG3' ' C ' ' A' ' 2' ' ' VAL . 0.6 OUTLIER -131.1 168.88 16.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.225 -0.922 . . . . 0.0 109.239 177.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 1.052 ' O ' " H3'" ' B' ' 23' ' ' ' U' . 0.9 OUTLIER -133.17 143.36 49.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.224 -0.922 . . . . 0.0 109.681 -179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.724 ' NH1' ' C2 ' ' B' ' 23' ' ' ' U' . 4.7 ptm85 -138.69 148.27 43.77 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.297 -0.877 . . . . 0.0 109.402 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.658 ' NZ ' ' P ' ' B' ' 27' ' ' ' A' . 21.8 mmtt 40.54 28.45 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.343 -0.848 . . . . 0.0 109.551 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . 87.58 -20.43 27.41 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.675 ' CZ ' ' C5 ' ' B' ' 34' ' ' ' G' . 0.0 OUTLIER -74.23 159.28 32.71 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.282 -1.128 . . . . 0.0 109.342 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.946 ' NH1' " H5'" ' B' ' 34' ' ' ' G' . 12.2 ttm180 -106.29 111.66 24.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.2 -0.938 . . . . 0.0 110.04 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.66 ' O ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -107.9 100.13 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 177.474 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.939 ' NH2' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -117.42 124.65 49.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.151 -0.968 . . . . 0.0 110.175 -177.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 1' ' ' ARG . 1.2 mm -105.07 87.56 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 176.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo . . . . . 0 C--N 1.304 -1.772 0 C-N-CA 123.05 2.5 . . . . 0.0 111.615 177.901 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.567 " H2'" ' C8 ' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.979 2 C5'-C4'-C3' 107.46 -5.36 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.713 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.011 2 C5'-C4'-C3' 107.564 -5.291 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . 0.894 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.12 2 C5'-C4'-C3' 107.407 -5.395 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . 0.894 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.984 2 C5'-C4'-C3' 107.633 -5.245 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . 0.724 " O5'" ' H8 ' ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.966 2 C5'-C4'-C3' 107.708 -5.195 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.9 " O2'" H5'' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.97 2 C5'-C4'-C3' 107.593 -5.271 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . 1.052 " H3'" ' O ' ' A' ' 4' ' ' THR . . . . . . . . 0 C4'--C3' 1.492 -2.939 2 C5'-C4'-C3' 106.998 -5.668 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . 1.07 H5'' " H5'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.892 2 C5'-C4'-C3' 107.275 -5.483 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . 1.07 " H5'" H5'' ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.435 1.725 2 C5'-C4'-C3' 107.518 -5.321 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . 0.68 ' N2 ' ' C5 ' ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.957 2 C5'-C4'-C3' 107.309 -5.46 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . 1.036 " O2'" " H5'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.156 2 C5'-C4'-C3' 108.544 -4.638 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . 1.036 " H5'" " O2'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.083 2 C5'-C4'-C3' 108.932 -4.379 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.799 " H5'" " O2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.0 2 C5'-C4'-C3' 108.29 -4.807 . 0.013 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.845 " H4'" ' OP1' ' B' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.901 2 C5'-C4'-C3' 107.237 -5.509 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . 0.845 ' OP1' " H4'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.43 -1.891 2 C5'-C4'-C3' 107.073 -5.618 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . 1.035 " H2'" " H4'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.815 2 C5'-C4'-C3' 107.686 -5.21 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . 0.937 " H4'" " C5'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.934 2 C5'-C4'-C3' 107.438 -5.375 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 1.035 " H4'" " H2'" ' B' ' 32' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.58 5.127 2 C5'-C4'-C3' 108.641 -4.573 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . 0.953 " H4'" ' OP1' ' B' ' 36' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.565 3.739 2 C5'-C4'-C3' 107.585 -5.277 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.953 ' OP1' " H4'" ' B' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.016 2 C5'-C4'-C3' 108.148 -4.901 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . 0.959 " O2'" " H5'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.989 2 C5'-C4'-C3' 108.377 -4.749 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . 0.959 " H5'" " O2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.952 2 C3'-C2'-C1' 105.333 4.259 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . 0.805 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.306 2 C5'-C4'-C3' 108.399 -4.734 . 0.076 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.805 ' C6 ' " H2'" ' B' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.116 2 C5'-C4'-C3' 108.015 -4.99 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . 0.76 " H5'" " O2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.061 2 C5'-C4'-C3' 108.151 -4.9 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . 0.773 " H2'" ' C8 ' ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.05 2 C5'-C4'-C3' 107.853 -5.098 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . 0.773 ' C8 ' " H2'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.015 2 C5'-C4'-C3' 107.389 -5.408 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . 0.816 " H2'" ' C6 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.984 2 C5'-C4'-C3' 107.787 -5.142 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.816 ' C6 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.432 -1.771 2 C5'-C4'-C3' 107.647 -5.235 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.734 HH12 ' NE ' ' A' ' 3' ' ' ARG . 5.8 mtp-105 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.78 130.71 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.176 -0.952 . . . . 0.0 109.494 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.835 HH22 ' H8 ' ' B' ' 22' ' ' ' A' . 0.9 OUTLIER -144.96 169.51 17.94 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.225 -0.922 . . . . 0.0 109.191 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.422 ' HA ' ' H ' ' A' ' 10' ' ' ILE . 13.8 m -132.98 132.75 42.28 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.232 -0.918 . . . . 0.0 109.666 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.758 ' HB2' " H2'" ' B' ' 23' ' ' ' U' . 4.6 ptm180 -133.64 135.38 44.12 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.244 -0.91 . . . . 0.0 109.4 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.696 ' HZ2' " H1'" ' B' ' 24' ' ' ' C' . 0.1 OUTLIER 54.16 29.65 10.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.336 -0.853 . . . . 0.0 109.604 179.61 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.85 -0.33 86.86 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.687 ' NE ' ' N7 ' ' B' ' 34' ' ' ' G' . 0.0 OUTLIER -98.89 122.67 42.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.219 -1.165 . . . . 0.0 109.365 179.623 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.737 ' NH2' " O2'" ' B' ' 34' ' ' ' G' . 22.7 ttp85 -65.91 93.62 0.19 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.218 -0.926 . . . . 0.0 109.981 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.61 HD12 ' N ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -90.37 111.09 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.47 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.625 ' CZ ' ' NH1' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -119.59 132.3 55.69 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.192 -0.942 . . . . 0.0 110.159 -179.212 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 1' ' ' ARG . 5.2 mm -106.05 93.71 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' DPR . . . . . 0.566 ' HB2' " H1'" ' B' ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo . . . . . 0 C--N 1.304 -1.774 0 C-N-CA 123.13 2.553 . . . . 0.0 111.642 178.773 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.422 " O2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.001 2 C5'-C4'-C3' 108.09 -4.94 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.597 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.073 2 C5'-C4'-C3' 107.45 -5.367 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . 0.89 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.963 2 C5'-C4'-C3' 107.614 -5.257 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . 0.89 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.982 2 C5'-C4'-C3' 107.949 -5.034 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . 0.787 ' H8 ' " O5'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.913 2 C5'-C4'-C3' 108.46 -4.693 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.926 " O2'" H5'' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.887 2 C5'-C4'-C3' 108.238 -4.842 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . 0.926 H5'' " O2'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.122 2 C5'-C4'-C3' 106.737 -5.842 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . 0.813 " H5'" " H2'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.94 2 C5'-C4'-C3' 107.52 -5.32 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . 0.813 " H2'" " H5'" ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.857 2 C5'-C4'-C3' 107.585 -5.277 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . 0.666 ' C6 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.945 2 C5'-C4'-C3' 108.414 -4.724 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . 0.971 " O2'" " H5'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.19 2 C5'-C4'-C3' 108.607 -4.595 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . 0.971 " H5'" " O2'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.071 2 C3'-C2'-C1' 105.48 4.422 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.954 " H5'" " O2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.022 2 C3'-C2'-C1' 105.485 4.428 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.82 ' H41' " H3'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.875 2 C5'-C4'-C3' 107.212 -5.525 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . 0.911 H5'' ' H6 ' ' B' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.923 2 C5'-C4'-C3' 107.276 -5.482 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . 1.07 " H1'" H5'' ' B' ' 33' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.565 3.749 2 C5'-C4'-C3' 108.809 -4.46 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . 1.07 H5'' " H1'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.436 1.843 2 C5'-C4'-C3' 107.626 -5.25 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.908 " H5'" " O2'" ' B' ' 33' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.436 1.826 2 C5'-C4'-C3' 107.95 -5.033 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . 0.852 ' OP1' " H4'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.436 1.869 2 C5'-C4'-C3' 108.394 -4.737 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.885 " H2'" ' H6 ' ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.996 2 C5'-C4'-C3' 107.718 -5.188 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . 1.064 " O2'" " H5'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.974 2 C5'-C4'-C3' 107.852 -5.099 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . 1.064 " H5'" " O2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.129 2 C3'-C2'-C1' 105.396 4.329 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . 0.881 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.252 2 C5'-C4'-C3' 107.542 -5.305 . 0.089 &a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.907 " O2'" " H5'" ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.129 2 C5'-C4'-C3' 107.697 -5.202 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . 0.907 " H5'" " O2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.951 2 C5'-C4'-C3' 108.421 -4.719 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . 0.599 ' H6 ' " O5'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.025 2 C5'-C4'-C3' 107.886 -5.076 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . 0.588 ' C8 ' " H2'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.085 2 C5'-C4'-C3' 107.676 -5.216 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . 0.766 " H2'" ' C6 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.018 2 C5'-C4'-C3' 107.961 -5.026 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.766 ' C6 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.83 2 C5'-C4'-C3' 107.552 -5.299 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.561 ' NH2' " H3'" ' B' ' 21' ' ' ' G' . 42.0 mtp180 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -104.69 120.67 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.227 -0.92 . . . . 0.0 109.443 -179.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.688 HH21 H5'' ' B' ' 23' ' ' ' U' . 0.0 OUTLIER -137.39 169.28 18.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.242 -0.911 . . . . 0.0 109.282 178.658 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.475 ' O ' ' CG2' ' A' ' 4' ' ' THR . 2.3 t -132.36 129.08 38.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.233 -0.917 . . . . 0.0 109.695 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.715 ' HB2' " H2'" ' B' ' 23' ' ' ' U' . 13.2 ptm180 -123.06 146.21 47.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.283 -0.886 . . . . 0.0 109.434 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.649 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 0.9 OUTLIER 40.04 29.3 0.05 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.242 -0.911 . . . . 0.0 109.596 -179.344 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . 86.77 -26.27 6.75 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.987 HH22 H5'' ' B' ' 33' ' ' ' G' . 7.7 tpt180 -73.05 127.33 32.25 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.268 -1.136 . . . . 0.0 109.262 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.976 ' NH2' " H1'" ' B' ' 34' ' ' ' G' . 1.7 tmm_? -65.0 115.54 5.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.242 -0.911 . . . . 0.0 110.03 178.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.485 HD12 ' N ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -115.49 116.71 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.866 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.724 ' NH1' ' H8 ' ' B' ' 35' ' ' ' A' . 0.2 OUTLIER -130.49 143.2 50.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 110.101 -177.676 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.6 mt -113.5 97.23 5.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 176.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo . . . . . 0 C--N 1.305 -1.758 0 C-N-CA 123.046 2.498 . . . . 0.0 111.589 175.931 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.958 2 C5'-C4'-C3' 107.85 -5.1 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.63 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.06 2 C5'-C4'-C3' 107.662 -5.225 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . 0.842 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.988 2 C5'-C4'-C3' 107.438 -5.375 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . 0.842 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.017 2 C5'-C4'-C3' 107.842 -5.106 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . 0.747 ' H8 ' " O5'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.897 2 C5'-C4'-C3' 107.868 -5.088 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.781 " O2'" H5'' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.886 2 C5'-C4'-C3' 108.202 -4.866 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . 0.856 " H4'" " O2'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.074 2 C5'-C4'-C3' 106.708 -5.861 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . 1.127 " H5'" " H2'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.854 2 C5'-C4'-C3' 107.33 -5.447 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . 1.127 " H2'" " H5'" ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.841 2 C5'-C4'-C3' 108.289 -4.808 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . 0.689 ' C2 ' ' C5 ' ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.962 2 C5'-C4'-C3' 108.658 -4.562 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . 1.006 " O2'" " H5'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.172 2 C5'-C4'-C3' 109.447 -4.036 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . 1.039 " O2'" " H5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.131 2 C5'-C4'-C3' 108.818 -4.455 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 1.039 " H5'" " O2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.939 2 C5'-C4'-C3' 108.824 -4.451 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.798 " H4'" ' H5 ' ' B' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.792 2 C5'-C4'-C3' 107.129 -5.58 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . 0.798 ' H5 ' " H4'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.43 -1.919 2 C5'-C4'-C3' 108.018 -4.988 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . 0.882 ' N3 ' " H2'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.557 2.96 2 C5'-C4'-C3' 107.468 -5.355 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . 0.987 H5'' HH22 ' A' ' 8' ' ' ARG . . . . . . . . 0 O4'--C4' 1.431 -1.849 2 C5'-C4'-C3' 106.946 -5.703 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.977 ' N3 ' " H2'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.561 3.33 2 C5'-C4'-C3' 106.784 -5.811 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . 0.825 " H4'" ' OP1' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.861 2 C5'-C4'-C3' 107.867 -5.089 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.825 ' OP1' " H4'" ' B' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.977 2 C5'-C4'-C3' 107.902 -5.065 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . 0.905 " O2'" " H5'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.917 2 C5'-C4'-C3' 107.792 -5.139 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . 0.905 " H5'" " O2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.121 2 C5'-C4'-C3' 108.302 -4.799 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . 0.847 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.214 2 C5'-C4'-C3' 107.915 -5.057 . 0.028 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.937 " O2'" " H5'" ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.065 2 C5'-C4'-C3' 108.015 -4.99 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . 0.937 " H5'" " O2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.926 2 C5'-C4'-C3' 108.152 -4.899 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . 0.811 " H2'" ' C8 ' ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.082 2 C5'-C4'-C3' 107.754 -5.164 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . 0.811 ' C8 ' " H2'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.053 2 C5'-C4'-C3' 107.804 -5.131 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . 0.778 " H2'" ' C5 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.003 2 C5'-C4'-C3' 107.551 -5.299 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.778 ' C5 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.801 2 C5'-C4'-C3' 107.76 -5.16 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.19 119.55 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.266 -0.896 . . . . 0.0 109.456 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.471 ' NH2' ' OP2' ' B' ' 22' ' ' ' A' . 0.0 OUTLIER -138.41 165.18 27.45 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.162 -0.961 . . . . 0.0 109.274 -179.646 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 8' ' ' ARG . 88.1 m -133.36 140.33 47.32 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.248 -0.907 . . . . 0.0 109.677 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.788 ' CB ' " H2'" ' B' ' 23' ' ' ' U' . 16.9 ptm180 -138.16 156.76 47.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.272 -0.892 . . . . 0.0 109.456 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.572 ' HA ' " H1'" ' B' ' 24' ' ' ' C' . 1.2 mmtm 38.71 29.13 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.253 -0.904 . . . . 0.0 109.615 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . 83.15 -17.42 23.15 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.829 ' NH1' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -81.52 154.72 26.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.298 -1.119 . . . . 0.0 109.326 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.829 ' H ' ' NH1' ' A' ' 8' ' ' ARG . 1.6 tmm_? -99.38 123.98 44.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.185 -0.947 . . . . 0.0 109.99 -179.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.708 ' CA ' HH11 ' A' ' 9' ' ' ARG . 0.1 OUTLIER -115.95 131.93 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 177.072 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.803 ' NH2' HH21 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -133.26 137.46 46.06 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.098 -1.001 . . . . 0.0 110.224 -179.236 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -117.47 88.07 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 176.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo . . . . . 0 C--N 1.304 -1.797 0 C-N-CA 122.975 2.45 . . . . 0.0 111.569 176.067 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.489 ' O6 ' ' N4 ' ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.028 2 C5'-C4'-C3' 107.749 -5.167 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.671 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.998 2 C5'-C4'-C3' 107.541 -5.306 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . 0.839 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.004 2 C5'-C4'-C3' 107.62 -5.253 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . 0.839 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.941 2 C5'-C4'-C3' 107.637 -5.242 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . 0.774 " O5'" ' H8 ' ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.943 2 C5'-C4'-C3' 107.657 -5.228 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.644 " H5'" " O2'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.973 2 C5'-C4'-C3' 107.258 -5.494 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . 0.788 " H2'" ' CB ' ' A' ' 5' ' ' ARG . . . . . . . . 0 O4'--C1' 1.438 1.982 2 C5'-C4'-C3' 107.001 -5.666 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . 0.704 ' OP1' " H4'" ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.957 2 C5'-C4'-C3' 107.407 -5.395 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . 0.674 " C3'" " H5'" ' B' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.436 1.816 2 C5'-C4'-C3' 107.565 -5.29 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . 0.674 " H5'" " C3'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.991 2 C5'-C4'-C3' 108.021 -4.986 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . 1.022 " O2'" " H5'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.168 2 C5'-C4'-C3' 108.275 -4.817 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . 1.022 " H5'" " O2'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.09 2 C3'-C2'-C1' 105.466 4.407 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.862 " O2'" " H5'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -1.959 2 C5'-C4'-C3' 108.486 -4.676 . 0.061 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.862 " H5'" " O2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.849 2 C5'-C4'-C3' 107.675 -5.216 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . 0.77 " H4'" " O5'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.896 2 C5'-C4'-C3' 107.081 -5.612 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . 1.086 " H2'" ' C8 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.756 2 C5'-C4'-C3' 107.949 -5.034 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . 1.059 " H4'" " C5'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.913 2 C5'-C4'-C3' 107.628 -5.248 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 1.086 ' C8 ' " H2'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.561 3.344 1 C3'-C2'-C1' 105.185 4.094 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . 0.759 " H1'" ' OP2' ' B' ' 36' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.547 2.058 2 C5'-C4'-C3' 108.104 -4.931 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.974 ' N7 ' " H1'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.983 2 C5'-C4'-C3' 107.846 -5.103 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . 0.689 ' C4 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.979 2 C5'-C4'-C3' 108.866 -4.423 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . 0.654 " H5'" " O2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.014 2 C3'-C2'-C1' 105.338 4.265 . 0.011 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . 0.793 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.237 2 C5'-C4'-C3' 108.025 -4.983 . 0.052 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.828 " H2'" ' C6 ' ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.09 2 C5'-C4'-C3' 107.957 -5.029 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . 0.828 ' C6 ' " H2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.078 2 C5'-C4'-C3' 107.727 -5.182 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . 0.682 " H2'" ' C8 ' ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.039 2 C5'-C4'-C3' 107.593 -5.271 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . 0.788 " O2'" " H5'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.882 2 C5'-C4'-C3' 107.731 -5.18 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . 0.789 " H2'" ' C5 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.028 2 C5'-C4'-C3' 107.786 -5.143 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.789 ' C5 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.818 2 C5'-C4'-C3' 107.703 -5.198 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.721 ' NH2' HH21 ' A' ' 3' ' ' ARG . 6.1 mtp180 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 p -97.25 120.37 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.226 -0.921 . . . . 0.0 109.507 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.802 ' NH1' H5'' ' B' ' 23' ' ' ' U' . 0.0 OUTLIER -145.1 170.01 17.03 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.116 -0.99 . . . . 0.0 109.238 179.311 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.616 ' O ' " H3'" ' B' ' 23' ' ' ' U' . 6.8 m -113.21 160.05 18.67 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.239 -0.913 . . . . 0.0 109.736 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.861 ' NE ' ' HZ3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -134.35 109.31 8.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.255 -0.903 . . . . 0.0 109.384 -178.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.861 ' HZ3' ' NE ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 38.61 43.71 0.71 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.228 -0.92 . . . . 0.0 109.621 179.581 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.635 ' N ' ' C6 ' ' B' ' 24' ' ' ' C' . . . 94.65 -29.65 8.85 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -80.49 111.8 17.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.236 -1.155 . . . . 0.0 109.338 179.423 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.863 HH21 HH21 ' A' ' 11' ' ' ARG . 0.8 OUTLIER -63.87 118.4 8.33 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.251 -0.906 . . . . 0.0 110.039 -178.686 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.573 ' O ' ' O ' ' A' ' 3' ' ' ARG . 0.9 OUTLIER -113.46 127.76 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.093 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.863 HH21 HH21 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -130.36 124.61 32.64 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.135 -0.978 . . . . 0.0 110.125 -178.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.8 mm -106.48 86.84 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' DPR . . . . . 0.573 ' HB2' " H1'" ' B' ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo . . . . . 0 C--N 1.305 -1.744 0 C-N-CA 123.092 2.528 . . . . 0.0 111.603 177.885 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.505 " H2'" ' C8 ' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.022 2 C5'-C4'-C3' 107.899 -5.067 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.564 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.029 2 C5'-C4'-C3' 107.378 -5.415 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . 0.85 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.02 2 C5'-C4'-C3' 107.607 -5.262 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . 0.85 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.027 2 C5'-C4'-C3' 107.476 -5.349 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . 0.858 ' H8 ' " O5'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.974 2 C5'-C4'-C3' 108.072 -4.952 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.669 ' N7 ' ' NH2' ' A' ' 1' ' ' ARG . . . . . . . . 0 O4'--C4' 1.431 -1.846 2 C5'-C4'-C3' 107.504 -5.331 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . 0.802 H5'' ' NH1' ' A' ' 3' ' ' ARG . . . . . . . . 0 O4'--C4' 1.429 -1.997 2 C5'-C4'-C3' 107.862 -5.092 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . 0.935 " H3'" ' H6 ' ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.908 2 C5'-C4'-C3' 107.024 -5.651 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . 0.935 ' H6 ' " H3'" ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.846 2 C5'-C4'-C3' 107.569 -5.287 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . 0.761 " H5'" " C3'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.919 2 C5'-C4'-C3' 107.719 -5.187 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . 1.029 " O2'" " H5'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.2 2 C5'-C4'-C3' 108.243 -4.838 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . 1.029 " H5'" " O2'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.142 2 C3'-C2'-C1' 105.491 4.434 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 1.001 " H5'" " O2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.062 2 C3'-C2'-C1' 105.514 4.46 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.646 HO2' ' H6 ' ' B' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.839 2 C5'-C4'-C3' 107.869 -5.087 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . 0.911 " H2'" " H1'" ' B' ' 33' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.954 2 C5'-C4'-C3' 107.453 -5.365 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . 0.885 " H4'" " O5'" ' B' ' 33' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.548 2.166 2 C5'-C4'-C3' 108.188 -4.875 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . 0.911 " H1'" " H2'" ' B' ' 31' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.556 2.94 2 C5'-C4'-C3' 107.334 -5.444 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.929 ' N3 ' " H2'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.554 2.718 2 C5'-C4'-C3' 108.471 -4.686 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . 0.702 " H4'" " O5'" ' B' ' 36' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.548 2.146 2 C5'-C4'-C3' 108.304 -4.797 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.795 " H2'" ' H6 ' ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.042 2 C5'-C4'-C3' 107.659 -5.227 . 0.0 OUTLIER '7D dist 6j' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . 1.022 " O2'" " H5'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.064 2 C5'-C4'-C3' 107.933 -5.045 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . 1.022 " H5'" " O2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.976 2 C5'-C4'-C3' 108.61 -4.593 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . 0.793 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.195 2 C5'-C4'-C3' 108.333 -4.778 . 0.034 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.851 " H2'" ' C6 ' ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.074 2 C5'-C4'-C3' 107.799 -5.134 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . 0.851 ' C6 ' " H2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.869 2 C5'-C4'-C3' 107.841 -5.106 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . 0.797 " H2'" ' C8 ' ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.997 2 C5'-C4'-C3' 107.692 -5.205 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . 0.797 ' C8 ' " H2'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.042 2 C5'-C4'-C3' 107.493 -5.338 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . 0.844 " H2'" ' C5 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.934 2 C5'-C4'-C3' 107.718 -5.188 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.844 ' C5 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.84 2 C5'-C4'-C3' 107.857 -5.096 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.629 ' C ' ' H2 ' ' B' ' 35' ' ' ' A' . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.405 ' O ' HG22 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -101.45 123.14 54.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.216 -0.928 . . . . 0.0 109.512 -179.508 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.737 ' NH2' ' H8 ' ' B' ' 22' ' ' ' A' . 0.0 OUTLIER -139.32 170.78 15.32 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.183 -0.948 . . . . 0.0 109.242 178.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.612 ' O ' " H3'" ' B' ' 23' ' ' ' U' . 43.8 p -113.91 138.97 49.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.245 -0.909 . . . . 0.0 109.711 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.601 ' O ' ' N ' ' A' ' 8' ' ' ARG . 4.1 ttt-85 -118.37 128.96 55.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.277 -0.889 . . . . 0.0 109.451 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.471 ' CG ' ' C ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 42.89 28.17 0.12 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.303 -0.873 . . . . 0.0 109.619 179.709 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.563 ' N ' ' C5 ' ' B' ' 24' ' ' ' C' . . . 97.97 -17.13 59.21 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.694 HH21 " C2'" ' B' ' 32' ' ' ' G' . 3.1 ttt180 -80.73 174.58 11.48 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.356 -1.085 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.913 ' CZ ' " H3'" ' B' ' 34' ' ' ' G' . 14.2 ttp180 -103.88 98.96 8.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.183 -0.948 . . . . 0.0 109.964 -178.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.749 HD13 ' C5 ' ' B' ' 23' ' ' ' U' . 1.2 tt -98.39 128.81 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.636 ' CZ ' ' N7 ' ' B' ' 35' ' ' ' A' . 1.2 mtp180 -130.97 132.1 44.82 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.157 -0.964 . . . . 0.0 110.192 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 1' ' ' ARG . 27.4 mt -106.8 87.17 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 177.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' DPR . . . . . 0.682 ' O ' ' N3 ' ' B' ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.449 ' HD2' ' O ' ' A' ' 12' ' ' ILE . 95.3 Cg_endo . . . . . 0 C--N 1.304 -1.775 0 C-N-CA 123.052 2.502 . . . . 0.0 111.591 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.6 " H2'" ' N7 ' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.083 2 C5'-C4'-C3' 107.642 -5.239 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.6 ' N7 ' " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.121 2 C5'-C4'-C3' 107.655 -5.23 OUTLIER-DELTA 0.0 OUTLIER '7D dist 7a' 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . 0.871 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.139 2 C5'-C4'-C3' 108.042 -4.972 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . 0.871 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.964 2 C5'-C4'-C3' 107.994 -5.004 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . 0.771 ' H8 ' " O5'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.971 2 C5'-C4'-C3' 107.572 -5.286 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.737 ' H8 ' ' NH2' ' A' ' 3' ' ' ARG . . . . . . . . 0 O4'--C1' 1.437 1.946 2 C5'-C4'-C3' 107.516 -5.323 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . 0.91 ' H6 ' H5'' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.053 2 C5'-C4'-C3' 107.172 -5.552 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . 1.034 ' OP2' " H2'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.933 2 C5'-C4'-C3' 107.159 -5.561 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . 1.034 " H2'" ' OP2' ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.795 2 C5'-C4'-C3' 107.375 -5.416 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . 0.62 ' N7 ' ' N3 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.94 1 C5'-C4'-C3' 107.637 -5.242 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . 1.051 " O2'" " H5'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.229 2 C5'-C4'-C3' 107.997 -5.002 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . 1.051 " H5'" " O2'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.119 2 C5'-C4'-C3' 108.551 -4.632 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.819 " H5'" " O2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.92 2 C5'-C4'-C3' 108.059 -4.96 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.835 " H1'" ' C6 ' ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.436 1.846 2 C5'-C4'-C3' 107.429 -5.381 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . 0.948 " H2'" ' N2 ' ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.951 2 C5'-C4'-C3' 107.874 -5.084 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . 0.948 ' N2 ' " H2'" ' B' ' 31' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.565 3.761 2 C3'-C2'-C1' 105.354 4.283 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . 0.905 ' P ' " O2'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.562 3.45 1 C3'-C2'-C1' 105.379 4.311 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.913 " H3'" ' CZ ' ' A' ' 9' ' ' ARG . . . . . . . . 0 C4'--C3' 1.555 2.827 2 C5'-C4'-C3' 108.048 -4.968 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . 0.682 ' N3 ' ' O ' ' A' ' 13' ' ' DPR . . . . . . . . 0 C4'--C3' 1.551 2.466 2 C5'-C4'-C3' 107.847 -5.102 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.8 ' C8 ' " H5'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.993 2 C5'-C4'-C3' 108.002 -4.999 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . 0.969 " O2'" " H5'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.963 2 C5'-C4'-C3' 107.751 -5.166 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . 0.969 " H5'" " O2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.01 2 C5'-C4'-C3' 108.516 -4.656 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . 0.734 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.235 2 C5'-C4'-C3' 108.012 -4.992 . 0.022 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.894 " H2'" ' C6 ' ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.026 2 C5'-C4'-C3' 108.183 -4.878 . 0.033 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . 0.894 ' C6 ' " H2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.917 2 C5'-C4'-C3' 108.223 -4.852 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . 0.75 " H2'" ' C8 ' ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.99 2 C5'-C4'-C3' 107.686 -5.209 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . 0.75 ' C8 ' " H2'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.038 2 C5'-C4'-C3' 107.568 -5.288 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . 0.767 " H2'" ' C5 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.072 2 C5'-C4'-C3' 107.763 -5.158 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.767 ' C5 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.803 2 C5'-C4'-C3' 107.672 -5.219 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.658 ' NH2' ' P ' ' B' ' 21' ' ' ' G' . 5.4 ptp85 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.11 135.95 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.274 -0.891 . . . . 0.0 109.493 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.884 ' NH1' " H2'" ' B' ' 22' ' ' ' A' . 4.7 ttm-85 -140.22 172.19 13.1 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.221 -0.924 . . . . 0.0 109.253 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.433 ' H ' ' HG2' ' A' ' 3' ' ' ARG . 1.1 p -124.41 167.82 13.88 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.213 -0.929 . . . . 0.0 109.726 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.607 ' NH1' ' C5 ' ' B' ' 27' ' ' ' A' . 1.1 ttp180 -164.77 133.83 3.57 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.243 -0.91 . . . . 0.0 109.403 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.751 ' NZ ' " H1'" ' B' ' 24' ' ' ' C' . 0.0 OUTLIER 45.42 25.71 0.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.297 -0.877 . . . . 0.0 109.552 -179.211 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.497 ' N ' ' C5 ' ' B' ' 24' ' ' ' C' . . . 88.63 7.12 72.19 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.924 ' HE ' " H2'" ' B' ' 31' ' ' ' U' . 0.0 OUTLIER -106.47 137.11 45.05 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.257 -1.143 . . . . 0.0 109.343 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.859 HH21 " H2'" ' B' ' 34' ' ' ' G' . 15.6 ttp180 -83.47 103.87 13.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.26 -0.9 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 3' ' ' ARG . 1.5 pt -99.71 137.71 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.828 HH21 ' CZ ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -116.12 131.16 57.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.07 -1.019 . . . . 0.0 110.195 -178.171 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.644 ' N ' ' H2 ' ' B' ' 35' ' ' ' A' . 0.5 OUTLIER -109.86 92.82 2.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 177.806 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' DPR . . . . . 0.706 ' O ' ' C2 ' ' B' ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo . . . . . 0 C--N 1.303 -1.839 0 C-N-CA 122.995 2.463 . . . . 0.0 111.622 -176.902 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.455 " H2'" ' C8 ' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.987 2 C5'-C4'-C3' 107.769 -5.154 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.659 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.039 2 C5'-C4'-C3' 107.427 -5.382 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . 0.893 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.003 2 C5'-C4'-C3' 107.522 -5.318 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . 0.893 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.05 2 C5'-C4'-C3' 107.778 -5.148 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . 0.83 " O5'" ' H8 ' ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.015 2 C5'-C4'-C3' 107.945 -5.037 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.918 " O2'" H5'' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.955 2 C5'-C4'-C3' 107.784 -5.144 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . 0.92 ' O2 ' " H2'" ' B' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.1 2 C5'-C4'-C3' 107.713 -5.191 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . 0.751 " H1'" ' NZ ' ' A' ' 6' ' ' LYS . . . . . . . . 0 C4'--C3' 1.559 3.224 2 C5'-C4'-C3' 106.74 -5.84 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . 0.805 " H2'" " O3'" ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.803 2 C5'-C4'-C3' 107.819 -5.121 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . 0.92 " H2'" ' O2 ' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.015 2 C5'-C4'-C3' 108.432 -4.712 . 0.0 OUTLIER '7D dist 6d' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . 0.941 " O2'" " H5'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.14 2 C5'-C4'-C3' 108.134 -4.911 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . 0.99 " O2'" " H5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.113 2 C5'-C4'-C3' 107.216 -5.523 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.99 " H5'" " O2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.1 2 C3'-C2'-C1' 105.563 4.515 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.804 ' C6 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.844 2 C5'-C4'-C3' 107.431 -5.379 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1t' 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . 0.924 " H2'" ' HE ' ' A' ' 8' ' ' ARG . . . . . . . . 0 O4'--C4' 1.43 -1.882 2 C5'-C4'-C3' 108.031 -4.979 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . 1.011 " H1'" H5'' ' B' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.564 3.656 2 C5'-C4'-C3' 108.092 -4.938 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . 0.754 " H2'" " O4'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.879 2 C5'-C4'-C3' 106.617 -5.922 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 1.011 H5'' " H1'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.435 1.778 2 C5'-C4'-C3' 108.128 -4.915 OUTLIER-EPSILON 0.0 OUTLIER beta 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . 0.706 ' C2 ' ' O ' ' A' ' 13' ' ' DPR . . . . . . . . 0 O4'--C4' 1.431 -1.815 2 C5'-C4'-C3' 107.33 -5.447 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.671 " C5'" " H4'" ' B' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.961 2 C5'-C4'-C3' 107.911 -5.059 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . 0.884 " O2'" " H5'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.031 2 C5'-C4'-C3' 107.609 -5.261 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . 0.884 " H5'" " O2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.111 2 C3'-C2'-C1' 105.375 4.305 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . 0.866 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.246 2 C5'-C4'-C3' 108.772 -4.485 . 0.048 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.884 " O2'" " H5'" ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.108 2 C5'-C4'-C3' 108.017 -4.989 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . 0.884 " H5'" " O2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.033 2 C5'-C4'-C3' 108.51 -4.66 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . 0.725 ' C6 ' " H2'" ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.964 2 C5'-C4'-C3' 107.746 -5.169 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . 0.686 ' C8 ' " H2'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.006 2 C5'-C4'-C3' 107.708 -5.195 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . 0.834 " H2'" ' C5 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.937 2 C5'-C4'-C3' 107.734 -5.177 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . 0.834 ' C5 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.843 2 C5'-C4'-C3' 107.641 -5.239 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.678 HH21 HH12 ' A' ' 3' ' ' ARG . 56.5 mtp180 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.464 ' O ' HG22 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -129.88 118.34 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.155 -0.966 . . . . 0.0 109.53 178.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.678 HH12 HH21 ' A' ' 1' ' ' ARG . 0.0 OUTLIER -137.15 175.1 9.92 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.178 -0.951 . . . . 0.0 109.241 -179.341 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 t -114.09 139.52 49.24 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.233 -0.917 . . . . 0.0 109.72 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.643 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -117.28 135.23 53.98 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.336 -0.852 . . . . 0.0 109.403 -179.449 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 5' ' ' ARG . 4.8 mttm 41.6 33.78 0.33 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.292 -0.88 . . . . 0.0 109.568 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.16 -20.5 29.28 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.643 ' N ' ' O ' ' A' ' 5' ' ' ARG . 15.7 mtp180 -80.29 162.99 24.29 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.341 -1.094 . . . . 0.0 109.328 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.525 HH11 ' HD2' ' A' ' 11' ' ' ARG . 4.4 ttm180 -90.87 120.06 31.59 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.219 -0.926 . . . . 0.0 110.011 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.422 ' O ' ' O ' ' A' ' 3' ' ' ARG . 1.8 tt -119.83 128.77 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.525 ' HD2' HH11 ' A' ' 9' ' ' ARG . 47.5 mtp180 -119.88 138.43 53.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.134 -0.979 . . . . 0.0 110.162 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.6 mm . . . . . 0 C--N 1.302 -1.477 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.621 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.544 ' NH2' ' NH1' ' A' ' 3' ' ' ARG . 25.7 mtp85 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.509 ' HB ' HH11 ' A' ' 11' ' ' ARG . 0.2 OUTLIER -105.01 125.08 60.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.215 -0.928 . . . . 0.0 109.521 -178.756 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.544 ' NH1' ' NH2' ' A' ' 1' ' ' ARG . 0.1 OUTLIER -141.81 154.01 44.91 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.183 -0.948 . . . . 0.0 109.257 178.841 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.51 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 2.8 m -113.46 125.38 54.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 0.0 109.662 -179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -113.02 124.36 52.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -0.891 . . . . 0.0 109.437 179.246 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.464 ' HD2' HH12 ' A' ' 5' ' ' ARG . 0.0 OUTLIER 42.61 31.1 0.27 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.299 -0.876 . . . . 0.0 109.6 179.514 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.42 -28.48 15.23 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -73.0 110.78 7.55 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.321 -1.105 . . . . 0.0 109.347 -179.697 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.897 ' CZ ' HH22 ' A' ' 11' ' ' ARG . 0.3 OUTLIER -71.32 94.37 1.2 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.185 -0.947 . . . . 0.0 109.947 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.524 ' O ' HD12 ' A' ' 10' ' ' ILE . 2.1 pp -90.95 120.8 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.897 HH22 ' CZ ' ' A' ' 9' ' ' ARG . 3.6 ttp-105 -129.14 130.87 46.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.141 -0.974 . . . . 0.0 110.217 -177.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.5 mt . . . . . 0 C--N 1.302 -1.481 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 174.644 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.591 ' NH2' ' NH2' ' A' ' 3' ' ' ARG . 40.6 mtp180 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.2 134.43 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.244 -0.91 . . . . 0.0 109.499 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.591 ' NH2' ' NH2' ' A' ' 1' ' ' ARG . 0.0 OUTLIER -155.5 166.97 31.91 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.243 -0.91 . . . . 0.0 109.352 179.281 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.425 ' HA ' ' H ' ' A' ' 10' ' ' ILE . 1.9 m -132.64 130.38 40.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.922 . . . . 0.0 109.678 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.537 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -128.03 156.03 43.4 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.889 . . . . 0.0 109.352 179.216 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 5' ' ' ARG . 4.2 mttt 40.88 27.64 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.183 -0.948 . . . . 0.0 109.618 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . 84.6 -22.05 9.74 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -77.34 140.6 40.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.363 -1.081 . . . . 0.0 109.263 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.756 HH11 ' NE ' ' A' ' 11' ' ' ARG . 6.4 ttm180 -80.55 105.75 12.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.215 -0.928 . . . . 0.0 110.027 -179.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.624 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -98.4 120.59 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.661 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.756 ' NE ' HH11 ' A' ' 9' ' ' ARG . 53.0 mtm180 -131.98 161.73 32.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.121 -0.987 . . . . 0.0 110.184 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.315 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 12' ' ' ILE . 5.2 ttt180 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -101.22 116.17 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.213 -0.929 . . . . 0.0 109.481 -178.276 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.447 ' HG3' ' C ' ' A' ' 2' ' ' VAL . 0.6 OUTLIER -131.1 168.88 16.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.225 -0.922 . . . . 0.0 109.239 177.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.511 HG22 ' HA ' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -133.17 143.36 49.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.224 -0.922 . . . . 0.0 109.681 -179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.622 ' O ' ' N ' ' A' ' 8' ' ' ARG . 4.7 ptm85 -138.69 148.27 43.77 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.297 -0.877 . . . . 0.0 109.402 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 5' ' ' ARG . 21.8 mmtt 40.54 28.45 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.343 -0.848 . . . . 0.0 109.551 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . 87.58 -20.43 27.41 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.622 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -74.23 159.28 32.71 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.282 -1.128 . . . . 0.0 109.342 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.939 HH11 ' NH2' ' A' ' 11' ' ' ARG . 12.2 ttm180 -106.29 111.66 24.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.2 -0.938 . . . . 0.0 110.04 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.66 ' O ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -107.9 100.13 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 177.474 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.939 ' NH2' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -117.42 124.65 49.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.151 -0.968 . . . . 0.0 110.175 -177.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 1' ' ' ARG . 1.2 mm . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.734 HH12 ' NE ' ' A' ' 3' ' ' ARG . 5.8 mtp-105 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.78 130.71 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.176 -0.952 . . . . 0.0 109.494 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.734 ' NE ' HH12 ' A' ' 1' ' ' ARG . 0.9 OUTLIER -144.96 169.51 17.94 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.225 -0.922 . . . . 0.0 109.191 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.422 ' HA ' ' H ' ' A' ' 10' ' ' ILE . 13.8 m -132.98 132.75 42.28 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.232 -0.918 . . . . 0.0 109.666 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.426 ' HD2' HG21 ' A' ' 10' ' ' ILE . 4.6 ptm180 -133.64 135.38 44.12 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.244 -0.91 . . . . 0.0 109.4 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.66 ' N ' ' CD ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER 54.16 29.65 10.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.336 -0.853 . . . . 0.0 109.604 179.61 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.85 -0.33 86.86 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.89 122.67 42.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.219 -1.165 . . . . 0.0 109.365 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.625 ' NH1' ' CZ ' ' A' ' 11' ' ' ARG . 22.7 ttp85 -65.91 93.62 0.19 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.218 -0.926 . . . . 0.0 109.981 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.61 HD12 ' N ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -90.37 111.09 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.47 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.625 ' CZ ' ' NH1' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -119.59 132.3 55.69 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.192 -0.942 . . . . 0.0 110.159 -179.212 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 1' ' ' ARG . 5.2 mm . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -104.69 120.67 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.227 -0.92 . . . . 0.0 109.443 -179.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -137.39 169.28 18.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.242 -0.911 . . . . 0.0 109.282 178.658 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.475 ' O ' ' CG2' ' A' ' 4' ' ' THR . 2.3 t -132.36 129.08 38.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.233 -0.917 . . . . 0.0 109.695 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.574 ' O ' ' N ' ' A' ' 8' ' ' ARG . 13.2 ptm180 -123.06 146.21 47.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.283 -0.886 . . . . 0.0 109.434 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.649 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 0.9 OUTLIER 40.04 29.3 0.05 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.242 -0.911 . . . . 0.0 109.596 -179.344 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . 86.77 -26.27 6.75 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.574 ' N ' ' O ' ' A' ' 5' ' ' ARG . 7.7 tpt180 -73.05 127.33 32.25 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.268 -1.136 . . . . 0.0 109.262 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.748 ' NH1' ' O ' ' A' ' 9' ' ' ARG . 1.7 tmm_? -65.0 115.54 5.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.242 -0.911 . . . . 0.0 110.03 178.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.485 HD12 ' N ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -115.49 116.71 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.866 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.695 ' CZ ' ' NE ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -130.49 143.2 50.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 110.101 -177.676 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.6 mt . . . . . 0 C--N 1.303 -1.431 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 176.904 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.19 119.55 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.266 -0.896 . . . . 0.0 109.456 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.41 165.18 27.45 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.162 -0.961 . . . . 0.0 109.274 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 8' ' ' ARG . 88.1 m -133.36 140.33 47.32 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.248 -0.907 . . . . 0.0 109.677 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.669 ' O ' ' N ' ' A' ' 8' ' ' ARG . 16.9 ptm180 -138.16 156.76 47.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.272 -0.892 . . . . 0.0 109.456 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 5' ' ' ARG . 1.2 mmtm 38.71 29.13 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.253 -0.904 . . . . 0.0 109.615 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . 83.15 -17.42 23.15 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.829 ' NH1' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -81.52 154.72 26.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.298 -1.119 . . . . 0.0 109.326 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.829 ' H ' ' NH1' ' A' ' 8' ' ' ARG . 1.6 tmm_? -99.38 123.98 44.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.185 -0.947 . . . . 0.0 109.99 -179.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.708 ' CA ' HH11 ' A' ' 9' ' ' ARG . 0.1 OUTLIER -115.95 131.93 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 177.072 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.803 ' NH2' HH21 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -133.26 137.46 46.06 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.098 -1.001 . . . . 0.0 110.224 -179.236 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.301 -1.511 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 176.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.721 ' NH2' HH21 ' A' ' 3' ' ' ARG . 6.1 mtp180 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 p -97.25 120.37 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.226 -0.921 . . . . 0.0 109.507 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.721 HH21 ' NH2' ' A' ' 1' ' ' ARG . 0.0 OUTLIER -145.1 170.01 17.03 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.116 -0.99 . . . . 0.0 109.238 179.311 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 6.8 m -113.21 160.05 18.67 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.239 -0.913 . . . . 0.0 109.736 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.861 ' NE ' ' HZ3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -134.35 109.31 8.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.255 -0.903 . . . . 0.0 109.384 -178.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.861 ' HZ3' ' NE ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 38.61 43.71 0.71 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.228 -0.92 . . . . 0.0 109.621 179.581 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.65 -29.65 8.85 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -80.49 111.8 17.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.236 -1.155 . . . . 0.0 109.338 179.423 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.863 HH21 HH21 ' A' ' 11' ' ' ARG . 0.8 OUTLIER -63.87 118.4 8.33 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.251 -0.906 . . . . 0.0 110.039 -178.686 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.573 ' O ' ' O ' ' A' ' 3' ' ' ARG . 0.9 OUTLIER -113.46 127.76 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.093 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.863 HH21 HH21 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -130.36 124.61 32.64 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.135 -0.978 . . . . 0.0 110.125 -178.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.8 mm . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 177.694 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.405 ' O ' HG22 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -101.45 123.14 54.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.216 -0.928 . . . . 0.0 109.512 -179.508 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.471 ' O ' ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -139.32 170.78 15.32 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.183 -0.948 . . . . 0.0 109.242 178.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.8 p -113.91 138.97 49.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.245 -0.909 . . . . 0.0 109.711 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.601 ' O ' ' N ' ' A' ' 8' ' ' ARG . 4.1 ttt-85 -118.37 128.96 55.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.277 -0.889 . . . . 0.0 109.451 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.471 ' CG ' ' C ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 42.89 28.17 0.12 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.303 -0.873 . . . . 0.0 109.619 179.709 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . 97.97 -17.13 59.21 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.601 ' N ' ' O ' ' A' ' 5' ' ' ARG . 3.1 ttt180 -80.73 174.58 11.48 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.356 -1.085 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -103.88 98.96 8.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.183 -0.948 . . . . 0.0 109.964 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.471 ' O ' ' O ' ' A' ' 3' ' ' ARG . 1.2 tt -98.39 128.81 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -130.97 132.1 44.82 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.157 -0.964 . . . . 0.0 110.192 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 1' ' ' ARG . 27.4 mt . . . . . 0 C--N 1.301 -1.504 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.515 HH11 ' HD2' ' A' ' 1' ' ' ARG . 5.4 ptp85 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.11 135.95 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.274 -0.891 . . . . 0.0 109.493 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.443 HH11 ' HG3' ' A' ' 3' ' ' ARG . 4.7 ttm-85 -140.22 172.19 13.1 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.221 -0.924 . . . . 0.0 109.253 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.433 ' H ' ' HG2' ' A' ' 3' ' ' ARG . 1.1 p -124.41 167.82 13.88 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.213 -0.929 . . . . 0.0 109.726 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 8' ' ' ARG . 1.1 ttp180 -164.77 133.83 3.57 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.243 -0.91 . . . . 0.0 109.403 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.424 ' H ' ' HE2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER 45.42 25.71 0.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.297 -0.877 . . . . 0.0 109.552 -179.211 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.63 7.12 72.19 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -106.47 137.11 45.05 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.257 -1.143 . . . . 0.0 109.343 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.828 ' CZ ' HH21 ' A' ' 11' ' ' ARG . 15.6 ttp180 -83.47 103.87 13.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.26 -0.9 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 3' ' ' ARG . 1.5 pt -99.71 137.71 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.828 HH21 ' CZ ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -116.12 131.16 57.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.07 -1.019 . . . . 0.0 110.195 -178.171 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.402 HD13 ' C ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.302 -1.479 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 177.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.678 HH21 HH12 ' A' ' 3' ' ' ARG . 56.5 mtp180 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.464 ' O ' HG22 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -129.88 118.34 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.155 -0.966 . . . . 0.0 109.53 178.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.678 HH12 HH21 ' A' ' 1' ' ' ARG . 0.0 OUTLIER -137.15 175.1 9.92 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.178 -0.951 . . . . 0.0 109.241 -179.341 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.614 ' O ' " H3'" ' B' ' 23' ' ' ' U' . 2.0 t -114.09 139.52 49.24 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.233 -0.917 . . . . 0.0 109.72 178.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.66 ' CG ' " H2'" ' B' ' 23' ' ' ' U' . 0.0 OUTLIER -117.28 135.23 53.98 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.336 -0.852 . . . . 0.0 109.403 -179.449 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 5' ' ' ARG . 4.8 mttm 41.6 33.78 0.33 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.292 -0.88 . . . . 0.0 109.568 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.16 -20.5 29.28 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.775 ' NH2' " H1'" ' B' ' 32' ' ' ' G' . 15.7 mtp180 -80.29 162.99 24.29 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.341 -1.094 . . . . 0.0 109.328 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.943 ' O ' " H2'" ' B' ' 34' ' ' ' G' . 4.4 ttm180 -90.87 120.06 31.59 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.219 -0.926 . . . . 0.0 110.011 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.422 ' O ' ' O ' ' A' ' 3' ' ' ARG . 1.8 tt -119.83 128.77 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.635 ' CB ' ' C8 ' ' B' ' 35' ' ' ' A' . 47.5 mtp180 -119.88 138.43 53.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.134 -0.979 . . . . 0.0 110.162 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.6 mm -130.46 109.57 17.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . 0.687 ' O ' ' C5 ' ' B' ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo . . . . . 0 C--N 1.306 -1.709 0 C-N-CA 122.998 2.465 . . . . 0.0 111.583 178.528 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.435 " H2'" ' C8 ' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.036 2 C5'-C4'-C3' 107.707 -5.196 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.539 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.1 2 C5'-C4'-C3' 107.703 -5.198 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . 0.833 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.022 2 C5'-C4'-C3' 107.598 -5.268 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . 0.833 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.892 2 C5'-C4'-C3' 107.961 -5.026 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . 0.693 ' H8 ' HO2' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.972 2 C5'-C4'-C3' 107.353 -5.432 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.812 " O2'" H5'' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.863 2 C5'-C4'-C3' 107.362 -5.425 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . 0.876 " H4'" ' OP1' ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -2.039 2 C5'-C4'-C3' 107.036 -5.643 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . 1.107 " H3'" " H5'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.937 2 C5'-C4'-C3' 106.749 -5.834 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . 1.107 " H5'" " H3'" ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.876 2 C5'-C4'-C3' 107.732 -5.179 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . 0.686 H5'' " H3'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.973 2 C5'-C4'-C3' 107.92 -5.053 . 0.0 OUTLIER '7D dist 6d' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . 0.875 " H2'" ' H8 ' ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.2 2 C5'-C4'-C3' 108.239 -4.841 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . 0.875 ' H8 ' " H2'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.019 2 C5'-C4'-C3' 107.553 -5.298 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.722 ' C6 ' " H2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.057 2 C5'-C4'-C3' 108.34 -4.774 . 0.042 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.935 " H1'" ' C6 ' ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.932 2 C5'-C4'-C3' 107.655 -5.23 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . 0.76 ' H6 ' " O3'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.907 2 C5'-C4'-C3' 107.25 -5.5 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . 0.983 " H4'" " H5'" ' B' ' 33' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.544 1.86 2 C5'-C4'-C3' 107.451 -5.366 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . 0.983 " H5'" " H4'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.817 2 C5'-C4'-C3' 108.121 -4.919 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.943 " H2'" ' O ' ' A' ' 9' ' ' ARG . . . . . . . . 0 O4'--C1' 1.435 1.768 2 C5'-C4'-C3' 107.383 -5.412 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . 0.947 ' N3 ' " H2'" ' B' ' 35' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.552 2.58 2 C5'-C4'-C3' 107.487 -5.342 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.83 ' C8 ' " H5'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.051 2 C5'-C4'-C3' 107.754 -5.164 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . 0.797 " O2'" " H5'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.941 2 C5'-C4'-C3' 107.399 -5.401 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . 0.797 " H5'" " O2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.038 2 C5'-C4'-C3' 108.246 -4.836 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . 0.704 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.251 2 C5'-C4'-C3' 108.402 -4.732 . 0.021 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.871 " H2'" ' C6 ' ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.116 2 C5'-C4'-C3' 107.854 -5.097 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . 0.871 ' C6 ' " H2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.025 2 C5'-C4'-C3' 107.718 -5.188 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . 0.683 ' C6 ' " H2'" ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.026 2 C5'-C4'-C3' 107.706 -5.196 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . 0.481 ' C8 ' " H2'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.042 2 C5'-C4'-C3' 107.491 -5.339 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . 0.798 " H2'" ' C5 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.889 2 C5'-C4'-C3' 107.712 -5.192 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.798 ' C5 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.861 2 C5'-C4'-C3' 107.638 -5.242 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.544 ' NH2' ' NH1' ' A' ' 3' ' ' ARG . 25.7 mtp85 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.509 ' HB ' HH11 ' A' ' 11' ' ' ARG . 0.2 OUTLIER -105.01 125.08 60.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.215 -0.928 . . . . 0.0 109.521 -178.756 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.734 HH22 ' H8 ' ' B' ' 22' ' ' ' A' . 0.1 OUTLIER -141.81 154.01 44.91 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.183 -0.948 . . . . 0.0 109.257 178.841 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.51 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 2.8 m -113.46 125.38 54.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 0.0 109.662 -179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.921 HH22 " H3'" ' B' ' 27' ' ' ' A' . 0.3 OUTLIER -113.02 124.36 52.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -0.891 . . . . 0.0 109.437 179.246 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.464 ' HD2' HH12 ' A' ' 5' ' ' ARG . 0.0 OUTLIER 42.61 31.1 0.27 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.299 -0.876 . . . . 0.0 109.6 179.514 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.42 -28.48 15.23 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.686 ' NE ' ' N7 ' ' B' ' 34' ' ' ' G' . 0.0 OUTLIER -73.0 110.78 7.55 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.321 -1.105 . . . . 0.0 109.347 -179.697 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 1.001 ' NH1' " H1'" ' B' ' 33' ' ' ' G' . 0.3 OUTLIER -71.32 94.37 1.2 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.185 -0.947 . . . . 0.0 109.947 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.524 ' O ' HD12 ' A' ' 10' ' ' ILE . 2.1 pp -90.95 120.8 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.897 HH22 ' CZ ' ' A' ' 9' ' ' ARG . 3.6 ttp-105 -129.14 130.87 46.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.141 -0.974 . . . . 0.0 110.217 -177.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.5 mt -104.66 89.68 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 174.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . 0.547 ' CB ' " O2'" ' B' ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo . . . . . 0 C--N 1.303 -1.816 0 C-N-CA 123.032 2.488 . . . . 0.0 111.643 178.759 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.449 " H2'" ' C8 ' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.989 2 C5'-C4'-C3' 107.808 -5.128 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.539 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.077 2 C5'-C4'-C3' 107.721 -5.186 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . 0.949 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.057 2 C5'-C4'-C3' 107.796 -5.136 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . 0.949 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.885 2 C5'-C4'-C3' 107.859 -5.094 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . 0.843 ' H8 ' " O5'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.939 2 C5'-C4'-C3' 108.36 -4.76 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.734 ' H8 ' HH22 ' A' ' 3' ' ' ARG . . . . . . . . 0 O4'--C4' 1.43 -1.939 2 C5'-C4'-C3' 107.253 -5.498 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . 0.639 " H4'" HO2' ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.057 2 C5'-C4'-C3' 107.738 -5.175 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . 1.08 " H5'" " H5'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.852 2 C5'-C4'-C3' 107.018 -5.655 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . 1.08 " H5'" " H5'" ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.792 2 C5'-C4'-C3' 107.627 -5.248 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . 0.667 ' C2 ' ' C5 ' ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.029 2 C5'-C4'-C3' 108.483 -4.678 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . 0.921 " H3'" HH22 ' A' ' 5' ' ' ARG . . . . . . . . 0 O4'--C1' 1.441 2.231 2 C5'-C4'-C3' 108.776 -4.482 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . 1.025 " O2'" " H5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.158 2 C5'-C4'-C3' 108.748 -4.502 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 1.025 " H5'" " O2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.009 2 C3'-C2'-C1' 105.524 4.471 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.737 " H5'" ' H5 ' ' B' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.905 2 C5'-C4'-C3' 108.116 -4.923 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . 0.737 ' H5 ' " H5'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -1.964 2 C5'-C4'-C3' 108.093 -4.938 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . 0.994 " H1'" ' H1 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.432 -1.734 2 C5'-C4'-C3' 107.535 -5.31 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . 1.001 " H1'" ' NH1' ' A' ' 9' ' ' ARG . . . . . . . . 0 O4'--C1' 1.436 1.858 2 C5'-C4'-C3' 107.039 -5.641 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.994 ' H1 ' " H1'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.502 -2.024 2 C5'-C4'-C3' 107.775 -5.15 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . 0.877 ' C8 ' ' NE ' ' A' ' 11' ' ' ARG . . . . . . . . 0 P--O5' 1.611 1.769 2 C5'-C4'-C3' 108.097 -4.935 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.725 " O5'" " H4'" ' B' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.025 2 C5'-C4'-C3' 107.956 -5.029 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . 0.665 ' O2 ' " H2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.952 2 C5'-C4'-C3' 107.565 -5.29 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . 0.535 " H2'" ' C6 ' ' B' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.083 2 C5'-C4'-C3' 108.607 -4.596 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . 0.793 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.193 2 C5'-C4'-C3' 108.582 -4.612 . 0.028 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.853 " O2'" " H5'" ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.107 2 C5'-C4'-C3' 108.021 -4.986 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . 0.853 " H5'" " O2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.991 2 C5'-C4'-C3' 108.317 -4.788 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . 0.805 " H2'" ' C8 ' ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.077 2 C5'-C4'-C3' 107.783 -5.145 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . 0.805 ' C8 ' " H2'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.006 2 C5'-C4'-C3' 107.572 -5.285 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . 0.678 " H2'" ' C6 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.002 2 C5'-C4'-C3' 107.797 -5.135 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.678 ' C6 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.863 2 C5'-C4'-C3' 107.662 -5.225 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.591 ' NH2' ' NH2' ' A' ' 3' ' ' ARG . 40.6 mtp180 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.2 134.43 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.244 -0.91 . . . . 0.0 109.499 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.591 ' NH2' ' NH2' ' A' ' 1' ' ' ARG . 0.0 OUTLIER -155.5 166.97 31.91 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.243 -0.91 . . . . 0.0 109.352 179.281 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.456 ' O ' ' OP2' ' B' ' 24' ' ' ' C' . 1.9 m -132.64 130.38 40.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.922 . . . . 0.0 109.678 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.686 ' NH2' ' C8 ' ' B' ' 27' ' ' ' A' . 0.0 OUTLIER -128.03 156.03 43.4 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.277 -0.889 . . . . 0.0 109.352 179.216 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 5' ' ' ARG . 4.2 mttt 40.88 27.64 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.183 -0.948 . . . . 0.0 109.618 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . 84.6 -22.05 9.74 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.878 ' NE ' ' N7 ' ' B' ' 34' ' ' ' G' . 0.0 OUTLIER -77.34 140.6 40.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.363 -1.081 . . . . 0.0 109.263 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 1.008 HH21 " H2'" ' B' ' 33' ' ' ' G' . 6.4 ttm180 -80.55 105.75 12.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.215 -0.928 . . . . 0.0 110.027 -179.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.624 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -98.4 120.59 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.661 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.756 ' NE ' HH11 ' A' ' 9' ' ' ARG . 53.0 mtm180 -131.98 161.73 32.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.121 -0.987 . . . . 0.0 110.184 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.4 mt -148.88 96.27 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . 0.606 ' CD ' " H5'" ' B' ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo . . . . . 0 C--N 1.305 -1.758 0 C-N-CA 123.002 2.468 . . . . 0.0 111.56 178.687 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.109 2 C5'-C4'-C3' 107.893 -5.071 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.417 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.097 2 C5'-C4'-C3' 107.518 -5.321 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . 0.968 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.116 2 C5'-C4'-C3' 107.847 -5.102 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . 0.968 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.985 2 C5'-C4'-C3' 108.068 -4.954 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . 0.768 ' H8 ' " O5'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.04 2 C5'-C4'-C3' 107.804 -5.131 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.76 " H5'" " O2'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.886 2 C5'-C4'-C3' 107.999 -5.001 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . 0.903 ' H6 ' H5'' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.961 2 C5'-C4'-C3' 106.95 -5.7 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . 0.665 " H5'" ' H6 ' ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.944 2 C5'-C4'-C3' 107.375 -5.417 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . 0.665 ' H6 ' " H5'" ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.432 -1.764 2 C5'-C4'-C3' 107.626 -5.25 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . 0.667 ' C6 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.981 2 C5'-C4'-C3' 107.647 -5.235 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . 1.068 " O2'" " H5'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.223 2 C5'-C4'-C3' 108.018 -4.988 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . 1.068 " H5'" " O2'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.129 2 C5'-C4'-C3' 108.863 -4.425 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.642 ' N4 ' ' C6 ' ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.012 2 C5'-C4'-C3' 107.799 -5.134 . 0.019 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.797 " H1'" ' N7 ' ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.874 2 C5'-C4'-C3' 107.381 -5.412 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . 0.789 ' C5 ' " H4'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.829 2 C3'-C2'-C1' 105.961 4.956 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . 0.84 " H1'" HH12 ' A' ' 8' ' ' ARG . . . . . . . . 0 O4'--C4' 1.433 -1.678 2 C5'-C4'-C3' 108.797 -4.469 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . 1.008 " H2'" HH21 ' A' ' 9' ' ' ARG . . . . . . . . 0 O4'--C1' 1.437 1.877 2 C5'-C4'-C3' 107.399 -5.401 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.878 ' N7 ' ' NE ' ' A' ' 8' ' ' ARG . . . . . . . . 1 C4'--C3' 1.617 8.488 2 C5'-C4'-C3' 108.213 -4.858 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . 0.834 ' OP1' " H1'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.549 2.273 2 C5'-C4'-C3' 104.287 -7.475 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.866 ' C8 ' " H5'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.039 2 C5'-C4'-C3' 108.951 -4.366 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . 0.851 ' C6 ' " H2'" ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.929 2 C5'-C4'-C3' 107.623 -5.251 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . 0.797 " H5'" " O2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.003 2 C5'-C4'-C3' 108.718 -4.521 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . 0.853 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.219 2 C5'-C4'-C3' 107.648 -5.235 . 0.069 &a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.853 ' C6 ' " H2'" ' B' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.144 2 C5'-C4'-C3' 107.842 -5.105 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . 0.781 ' C6 ' " H2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.964 2 C5'-C4'-C3' 108.327 -4.782 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . 0.778 " H2'" ' C8 ' ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.036 2 C5'-C4'-C3' 107.634 -5.244 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . 0.778 ' C8 ' " H2'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.954 2 C5'-C4'-C3' 107.761 -5.159 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . 0.711 " H2'" ' C5 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.987 2 C5'-C4'-C3' 107.832 -5.112 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.711 ' C5 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.796 2 C5'-C4'-C3' 107.652 -5.232 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.671 ' NH2' ' C8 ' ' B' ' 21' ' ' ' G' . 5.2 ttt180 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -101.22 116.17 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.213 -0.929 . . . . 0.0 109.481 -178.276 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.447 ' HG3' ' C ' ' A' ' 2' ' ' VAL . 0.6 OUTLIER -131.1 168.88 16.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.225 -0.922 . . . . 0.0 109.239 177.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 1.052 ' O ' " H3'" ' B' ' 23' ' ' ' U' . 0.9 OUTLIER -133.17 143.36 49.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.224 -0.922 . . . . 0.0 109.681 -179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.724 ' NH1' ' C2 ' ' B' ' 23' ' ' ' U' . 4.7 ptm85 -138.69 148.27 43.77 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.297 -0.877 . . . . 0.0 109.402 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.658 ' NZ ' ' P ' ' B' ' 27' ' ' ' A' . 21.8 mmtt 40.54 28.45 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.343 -0.848 . . . . 0.0 109.551 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . 87.58 -20.43 27.41 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.675 ' CZ ' ' C5 ' ' B' ' 34' ' ' ' G' . 0.0 OUTLIER -74.23 159.28 32.71 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.282 -1.128 . . . . 0.0 109.342 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.946 ' NH1' " H5'" ' B' ' 34' ' ' ' G' . 12.2 ttm180 -106.29 111.66 24.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.2 -0.938 . . . . 0.0 110.04 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.66 ' O ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -107.9 100.13 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 177.474 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.939 ' NH2' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -117.42 124.65 49.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.151 -0.968 . . . . 0.0 110.175 -177.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 1' ' ' ARG . 1.2 mm -105.07 87.56 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 176.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo . . . . . 0 C--N 1.304 -1.772 0 C-N-CA 123.05 2.5 . . . . 0.0 111.615 177.901 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.567 " H2'" ' C8 ' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.979 2 C5'-C4'-C3' 107.46 -5.36 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.713 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.011 2 C5'-C4'-C3' 107.564 -5.291 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . 0.894 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.12 2 C5'-C4'-C3' 107.407 -5.395 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . 0.894 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.984 2 C5'-C4'-C3' 107.633 -5.245 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . 0.724 " O5'" ' H8 ' ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.966 2 C5'-C4'-C3' 107.708 -5.195 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.9 " O2'" H5'' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.97 2 C5'-C4'-C3' 107.593 -5.271 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . 1.052 " H3'" ' O ' ' A' ' 4' ' ' THR . . . . . . . . 0 C4'--C3' 1.492 -2.939 2 C5'-C4'-C3' 106.998 -5.668 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . 1.07 H5'' " H5'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.892 2 C5'-C4'-C3' 107.275 -5.483 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . 1.07 " H5'" H5'' ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.435 1.725 2 C5'-C4'-C3' 107.518 -5.321 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . 0.68 ' N2 ' ' C5 ' ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.957 2 C5'-C4'-C3' 107.309 -5.46 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . 1.036 " O2'" " H5'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.156 2 C5'-C4'-C3' 108.544 -4.638 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . 1.036 " H5'" " O2'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.083 2 C5'-C4'-C3' 108.932 -4.379 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.799 " H5'" " O2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.0 2 C5'-C4'-C3' 108.29 -4.807 . 0.013 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.845 " H4'" ' OP1' ' B' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.901 2 C5'-C4'-C3' 107.237 -5.509 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . 0.845 ' OP1' " H4'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.43 -1.891 2 C5'-C4'-C3' 107.073 -5.618 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . 1.035 " H2'" " H4'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.815 2 C5'-C4'-C3' 107.686 -5.21 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . 0.937 " H4'" " C5'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.934 2 C5'-C4'-C3' 107.438 -5.375 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 1.035 " H4'" " H2'" ' B' ' 32' ' ' ' G' . . . . . . . . 1 C4'--C3' 1.58 5.127 2 C5'-C4'-C3' 108.641 -4.573 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . 0.953 " H4'" ' OP1' ' B' ' 36' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.565 3.739 2 C5'-C4'-C3' 107.585 -5.277 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.953 ' OP1' " H4'" ' B' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.016 2 C5'-C4'-C3' 108.148 -4.901 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . 0.959 " O2'" " H5'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.989 2 C5'-C4'-C3' 108.377 -4.749 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . 0.959 " H5'" " O2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.952 2 C3'-C2'-C1' 105.333 4.259 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . 0.805 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.306 2 C5'-C4'-C3' 108.399 -4.734 . 0.076 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.805 ' C6 ' " H2'" ' B' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.116 2 C5'-C4'-C3' 108.015 -4.99 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . 0.76 " H5'" " O2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.061 2 C5'-C4'-C3' 108.151 -4.9 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . 0.773 " H2'" ' C8 ' ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.05 2 C5'-C4'-C3' 107.853 -5.098 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . 0.773 ' C8 ' " H2'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.015 2 C5'-C4'-C3' 107.389 -5.408 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . 0.816 " H2'" ' C6 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.984 2 C5'-C4'-C3' 107.787 -5.142 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.816 ' C6 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.432 -1.771 2 C5'-C4'-C3' 107.647 -5.235 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.734 HH12 ' NE ' ' A' ' 3' ' ' ARG . 5.8 mtp-105 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.78 130.71 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.176 -0.952 . . . . 0.0 109.494 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.835 HH22 ' H8 ' ' B' ' 22' ' ' ' A' . 0.9 OUTLIER -144.96 169.51 17.94 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.225 -0.922 . . . . 0.0 109.191 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.422 ' HA ' ' H ' ' A' ' 10' ' ' ILE . 13.8 m -132.98 132.75 42.28 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.232 -0.918 . . . . 0.0 109.666 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.758 ' HB2' " H2'" ' B' ' 23' ' ' ' U' . 4.6 ptm180 -133.64 135.38 44.12 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.244 -0.91 . . . . 0.0 109.4 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.696 ' HZ2' " H1'" ' B' ' 24' ' ' ' C' . 0.1 OUTLIER 54.16 29.65 10.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.336 -0.853 . . . . 0.0 109.604 179.61 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.85 -0.33 86.86 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.687 ' NE ' ' N7 ' ' B' ' 34' ' ' ' G' . 0.0 OUTLIER -98.89 122.67 42.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.219 -1.165 . . . . 0.0 109.365 179.623 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.737 ' NH2' " O2'" ' B' ' 34' ' ' ' G' . 22.7 ttp85 -65.91 93.62 0.19 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.218 -0.926 . . . . 0.0 109.981 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.61 HD12 ' N ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -90.37 111.09 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.47 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.625 ' CZ ' ' NH1' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -119.59 132.3 55.69 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.192 -0.942 . . . . 0.0 110.159 -179.212 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 1' ' ' ARG . 5.2 mm -106.05 93.71 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . 0.566 ' HB2' " H1'" ' B' ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo . . . . . 0 C--N 1.304 -1.774 0 C-N-CA 123.13 2.553 . . . . 0.0 111.642 178.773 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.422 " O2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.001 2 C5'-C4'-C3' 108.09 -4.94 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.597 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.073 2 C5'-C4'-C3' 107.45 -5.367 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . 0.89 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.963 2 C5'-C4'-C3' 107.614 -5.257 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . 0.89 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.982 2 C5'-C4'-C3' 107.949 -5.034 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . 0.787 ' H8 ' " O5'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.913 2 C5'-C4'-C3' 108.46 -4.693 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.926 " O2'" H5'' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.887 2 C5'-C4'-C3' 108.238 -4.842 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . 0.926 H5'' " O2'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.122 2 C5'-C4'-C3' 106.737 -5.842 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . 0.813 " H5'" " H2'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.94 2 C5'-C4'-C3' 107.52 -5.32 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . 0.813 " H2'" " H5'" ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.857 2 C5'-C4'-C3' 107.585 -5.277 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . 0.666 ' C6 ' ' C2 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.945 2 C5'-C4'-C3' 108.414 -4.724 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . 0.971 " O2'" " H5'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.19 2 C5'-C4'-C3' 108.607 -4.595 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . 0.971 " H5'" " O2'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.071 2 C3'-C2'-C1' 105.48 4.422 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.954 " H5'" " O2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.022 2 C3'-C2'-C1' 105.485 4.428 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.82 ' H41' " H3'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.875 2 C5'-C4'-C3' 107.212 -5.525 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . 0.911 H5'' ' H6 ' ' B' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.923 2 C5'-C4'-C3' 107.276 -5.482 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . 1.07 " H1'" H5'' ' B' ' 33' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.565 3.749 2 C5'-C4'-C3' 108.809 -4.46 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . 1.07 H5'' " H1'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.436 1.843 2 C5'-C4'-C3' 107.626 -5.25 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.908 " H5'" " O2'" ' B' ' 33' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.436 1.826 2 C5'-C4'-C3' 107.95 -5.033 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . 0.852 ' OP1' " H4'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.436 1.869 2 C5'-C4'-C3' 108.394 -4.737 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.885 " H2'" ' H6 ' ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.996 2 C5'-C4'-C3' 107.718 -5.188 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . 1.064 " O2'" " H5'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.974 2 C5'-C4'-C3' 107.852 -5.099 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . 1.064 " H5'" " O2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.129 2 C3'-C2'-C1' 105.396 4.329 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . 0.881 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.252 2 C5'-C4'-C3' 107.542 -5.305 . 0.089 &a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.907 " O2'" " H5'" ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.129 2 C5'-C4'-C3' 107.697 -5.202 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . 0.907 " H5'" " O2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.951 2 C5'-C4'-C3' 108.421 -4.719 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . 0.599 ' H6 ' " O5'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.025 2 C5'-C4'-C3' 107.886 -5.076 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . 0.588 ' C8 ' " H2'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.085 2 C5'-C4'-C3' 107.676 -5.216 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . 0.766 " H2'" ' C6 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.018 2 C5'-C4'-C3' 107.961 -5.026 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.766 ' C6 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.83 2 C5'-C4'-C3' 107.552 -5.299 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.561 ' NH2' " H3'" ' B' ' 21' ' ' ' G' . 42.0 mtp180 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -104.69 120.67 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.227 -0.92 . . . . 0.0 109.443 -179.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.688 HH21 H5'' ' B' ' 23' ' ' ' U' . 0.0 OUTLIER -137.39 169.28 18.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.242 -0.911 . . . . 0.0 109.282 178.658 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.475 ' O ' ' CG2' ' A' ' 4' ' ' THR . 2.3 t -132.36 129.08 38.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.233 -0.917 . . . . 0.0 109.695 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.715 ' HB2' " H2'" ' B' ' 23' ' ' ' U' . 13.2 ptm180 -123.06 146.21 47.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.283 -0.886 . . . . 0.0 109.434 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.649 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 0.9 OUTLIER 40.04 29.3 0.05 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.242 -0.911 . . . . 0.0 109.596 -179.344 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . 86.77 -26.27 6.75 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.987 HH22 H5'' ' B' ' 33' ' ' ' G' . 7.7 tpt180 -73.05 127.33 32.25 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.268 -1.136 . . . . 0.0 109.262 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.976 ' NH2' " H1'" ' B' ' 34' ' ' ' G' . 1.7 tmm_? -65.0 115.54 5.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.242 -0.911 . . . . 0.0 110.03 178.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.485 HD12 ' N ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -115.49 116.71 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.866 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.724 ' NH1' ' H8 ' ' B' ' 35' ' ' ' A' . 0.2 OUTLIER -130.49 143.2 50.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 110.101 -177.676 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.6 mt -113.5 97.23 5.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 176.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo . . . . . 0 C--N 1.305 -1.758 0 C-N-CA 123.046 2.498 . . . . 0.0 111.589 175.931 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.958 2 C5'-C4'-C3' 107.85 -5.1 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.63 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.06 2 C5'-C4'-C3' 107.662 -5.225 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . 0.842 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.988 2 C5'-C4'-C3' 107.438 -5.375 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . 0.842 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.017 2 C5'-C4'-C3' 107.842 -5.106 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . 0.747 ' H8 ' " O5'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.897 2 C5'-C4'-C3' 107.868 -5.088 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.781 " O2'" H5'' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.886 2 C5'-C4'-C3' 108.202 -4.866 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . 0.856 " H4'" " O2'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.074 2 C5'-C4'-C3' 106.708 -5.861 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . 1.127 " H5'" " H2'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.854 2 C5'-C4'-C3' 107.33 -5.447 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . 1.127 " H2'" " H5'" ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.841 2 C5'-C4'-C3' 108.289 -4.808 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . 0.689 ' C2 ' ' C5 ' ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.962 2 C5'-C4'-C3' 108.658 -4.562 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . 1.006 " O2'" " H5'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.172 2 C5'-C4'-C3' 109.447 -4.036 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . 1.039 " O2'" " H5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.131 2 C5'-C4'-C3' 108.818 -4.455 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 1.039 " H5'" " O2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.939 2 C5'-C4'-C3' 108.824 -4.451 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.798 " H4'" ' H5 ' ' B' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.792 2 C5'-C4'-C3' 107.129 -5.58 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . 0.798 ' H5 ' " H4'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.43 -1.919 2 C5'-C4'-C3' 108.018 -4.988 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . 0.882 ' N3 ' " H2'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.557 2.96 2 C5'-C4'-C3' 107.468 -5.355 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . 0.987 H5'' HH22 ' A' ' 8' ' ' ARG . . . . . . . . 0 O4'--C4' 1.431 -1.849 2 C5'-C4'-C3' 106.946 -5.703 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.977 ' N3 ' " H2'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.561 3.33 2 C5'-C4'-C3' 106.784 -5.811 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . 0.825 " H4'" ' OP1' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.861 2 C5'-C4'-C3' 107.867 -5.089 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.825 ' OP1' " H4'" ' B' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.977 2 C5'-C4'-C3' 107.902 -5.065 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . 0.905 " O2'" " H5'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.917 2 C5'-C4'-C3' 107.792 -5.139 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . 0.905 " H5'" " O2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.121 2 C5'-C4'-C3' 108.302 -4.799 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . 0.847 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.214 2 C5'-C4'-C3' 107.915 -5.057 . 0.028 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.937 " O2'" " H5'" ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.065 2 C5'-C4'-C3' 108.015 -4.99 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . 0.937 " H5'" " O2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.926 2 C5'-C4'-C3' 108.152 -4.899 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . 0.811 " H2'" ' C8 ' ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.082 2 C5'-C4'-C3' 107.754 -5.164 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . 0.811 ' C8 ' " H2'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.053 2 C5'-C4'-C3' 107.804 -5.131 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . 0.778 " H2'" ' C5 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.003 2 C5'-C4'-C3' 107.551 -5.299 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.778 ' C5 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.801 2 C5'-C4'-C3' 107.76 -5.16 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.19 119.55 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.266 -0.896 . . . . 0.0 109.456 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.471 ' NH2' ' OP2' ' B' ' 22' ' ' ' A' . 0.0 OUTLIER -138.41 165.18 27.45 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.162 -0.961 . . . . 0.0 109.274 -179.646 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 8' ' ' ARG . 88.1 m -133.36 140.33 47.32 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.248 -0.907 . . . . 0.0 109.677 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.788 ' CB ' " H2'" ' B' ' 23' ' ' ' U' . 16.9 ptm180 -138.16 156.76 47.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.272 -0.892 . . . . 0.0 109.456 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.572 ' HA ' " H1'" ' B' ' 24' ' ' ' C' . 1.2 mmtm 38.71 29.13 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.253 -0.904 . . . . 0.0 109.615 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 5' ' ' ARG . . . 83.15 -17.42 23.15 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.829 ' NH1' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -81.52 154.72 26.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.298 -1.119 . . . . 0.0 109.326 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.829 ' H ' ' NH1' ' A' ' 8' ' ' ARG . 1.6 tmm_? -99.38 123.98 44.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.185 -0.947 . . . . 0.0 109.99 -179.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.708 ' CA ' HH11 ' A' ' 9' ' ' ARG . 0.1 OUTLIER -115.95 131.93 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 177.072 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.803 ' NH2' HH21 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -133.26 137.46 46.06 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.098 -1.001 . . . . 0.0 110.224 -179.236 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -117.47 88.07 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 176.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo . . . . . 0 C--N 1.304 -1.797 0 C-N-CA 122.975 2.45 . . . . 0.0 111.569 176.067 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.489 ' O6 ' ' N4 ' ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.028 2 C5'-C4'-C3' 107.749 -5.167 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.671 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.998 2 C5'-C4'-C3' 107.541 -5.306 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . 0.839 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.004 2 C5'-C4'-C3' 107.62 -5.253 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . 0.839 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.941 2 C5'-C4'-C3' 107.637 -5.242 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . 0.774 " O5'" ' H8 ' ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.943 2 C5'-C4'-C3' 107.657 -5.228 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.644 " H5'" " O2'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.973 2 C5'-C4'-C3' 107.258 -5.494 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . 0.788 " H2'" ' CB ' ' A' ' 5' ' ' ARG . . . . . . . . 0 O4'--C1' 1.438 1.982 2 C5'-C4'-C3' 107.001 -5.666 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . 0.704 ' OP1' " H4'" ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.957 2 C5'-C4'-C3' 107.407 -5.395 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . 0.674 " C3'" " H5'" ' B' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.436 1.816 2 C5'-C4'-C3' 107.565 -5.29 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . 0.674 " H5'" " C3'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.991 2 C5'-C4'-C3' 108.021 -4.986 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . 1.022 " O2'" " H5'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.168 2 C5'-C4'-C3' 108.275 -4.817 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . 1.022 " H5'" " O2'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.09 2 C3'-C2'-C1' 105.466 4.407 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.862 " O2'" " H5'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -1.959 2 C5'-C4'-C3' 108.486 -4.676 . 0.061 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.862 " H5'" " O2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.849 2 C5'-C4'-C3' 107.675 -5.216 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . 0.77 " H4'" " O5'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.896 2 C5'-C4'-C3' 107.081 -5.612 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . 1.086 " H2'" ' C8 ' ' B' ' 34' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.756 2 C5'-C4'-C3' 107.949 -5.034 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . 1.059 " H4'" " C5'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.913 2 C5'-C4'-C3' 107.628 -5.248 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 1.086 ' C8 ' " H2'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.561 3.344 1 C3'-C2'-C1' 105.185 4.094 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . 0.759 " H1'" ' OP2' ' B' ' 36' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.547 2.058 2 C5'-C4'-C3' 108.104 -4.931 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.974 ' N7 ' " H1'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.983 2 C5'-C4'-C3' 107.846 -5.103 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . 0.689 ' C4 ' ' C6 ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.979 2 C5'-C4'-C3' 108.866 -4.423 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . 0.654 " H5'" " O2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.014 2 C3'-C2'-C1' 105.338 4.265 . 0.011 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . 0.793 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.237 2 C5'-C4'-C3' 108.025 -4.983 . 0.052 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.828 " H2'" ' C6 ' ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.09 2 C5'-C4'-C3' 107.957 -5.029 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . 0.828 ' C6 ' " H2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.078 2 C5'-C4'-C3' 107.727 -5.182 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . 0.682 " H2'" ' C8 ' ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.039 2 C5'-C4'-C3' 107.593 -5.271 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . 0.788 " O2'" " H5'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.882 2 C5'-C4'-C3' 107.731 -5.18 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . 0.789 " H2'" ' C5 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.028 2 C5'-C4'-C3' 107.786 -5.143 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.789 ' C5 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.818 2 C5'-C4'-C3' 107.703 -5.198 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.721 ' NH2' HH21 ' A' ' 3' ' ' ARG . 6.1 mtp180 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 p -97.25 120.37 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.226 -0.921 . . . . 0.0 109.507 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.802 ' NH1' H5'' ' B' ' 23' ' ' ' U' . 0.0 OUTLIER -145.1 170.01 17.03 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.116 -0.99 . . . . 0.0 109.238 179.311 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.616 ' O ' " H3'" ' B' ' 23' ' ' ' U' . 6.8 m -113.21 160.05 18.67 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.239 -0.913 . . . . 0.0 109.736 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.861 ' NE ' ' HZ3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -134.35 109.31 8.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.255 -0.903 . . . . 0.0 109.384 -178.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.861 ' HZ3' ' NE ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 38.61 43.71 0.71 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.228 -0.92 . . . . 0.0 109.621 179.581 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.635 ' N ' ' C6 ' ' B' ' 24' ' ' ' C' . . . 94.65 -29.65 8.85 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -80.49 111.8 17.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.236 -1.155 . . . . 0.0 109.338 179.423 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.863 HH21 HH21 ' A' ' 11' ' ' ARG . 0.8 OUTLIER -63.87 118.4 8.33 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.251 -0.906 . . . . 0.0 110.039 -178.686 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.573 ' O ' ' O ' ' A' ' 3' ' ' ARG . 0.9 OUTLIER -113.46 127.76 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.093 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.863 HH21 HH21 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -130.36 124.61 32.64 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.135 -0.978 . . . . 0.0 110.125 -178.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.8 mm -106.48 86.84 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . 0.573 ' HB2' " H1'" ' B' ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo . . . . . 0 C--N 1.305 -1.744 0 C-N-CA 123.092 2.528 . . . . 0.0 111.603 177.885 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.505 " H2'" ' C8 ' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.022 2 C5'-C4'-C3' 107.899 -5.067 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.564 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.029 2 C5'-C4'-C3' 107.378 -5.415 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . 0.85 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.02 2 C5'-C4'-C3' 107.607 -5.262 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . 0.85 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.027 2 C5'-C4'-C3' 107.476 -5.349 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . 0.858 ' H8 ' " O5'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.974 2 C5'-C4'-C3' 108.072 -4.952 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.669 ' N7 ' ' NH2' ' A' ' 1' ' ' ARG . . . . . . . . 0 O4'--C4' 1.431 -1.846 2 C5'-C4'-C3' 107.504 -5.331 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . 0.802 H5'' ' NH1' ' A' ' 3' ' ' ARG . . . . . . . . 0 O4'--C4' 1.429 -1.997 2 C5'-C4'-C3' 107.862 -5.092 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . 0.935 " H3'" ' H6 ' ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.908 2 C5'-C4'-C3' 107.024 -5.651 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . 0.935 ' H6 ' " H3'" ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.846 2 C5'-C4'-C3' 107.569 -5.287 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . 0.761 " H5'" " C3'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.919 2 C5'-C4'-C3' 107.719 -5.187 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . 1.029 " O2'" " H5'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.2 2 C5'-C4'-C3' 108.243 -4.838 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . 1.029 " H5'" " O2'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.142 2 C3'-C2'-C1' 105.491 4.434 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 1.001 " H5'" " O2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.062 2 C3'-C2'-C1' 105.514 4.46 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.646 HO2' ' H6 ' ' B' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.839 2 C5'-C4'-C3' 107.869 -5.087 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . 0.911 " H2'" " H1'" ' B' ' 33' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.954 2 C5'-C4'-C3' 107.453 -5.365 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . 0.885 " H4'" " O5'" ' B' ' 33' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.548 2.166 2 C5'-C4'-C3' 108.188 -4.875 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . 0.911 " H1'" " H2'" ' B' ' 31' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.556 2.94 2 C5'-C4'-C3' 107.334 -5.444 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.929 ' N3 ' " H2'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.554 2.718 2 C5'-C4'-C3' 108.471 -4.686 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . 0.702 " H4'" " O5'" ' B' ' 36' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.548 2.146 2 C5'-C4'-C3' 108.304 -4.797 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.795 " H2'" ' H6 ' ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.042 2 C5'-C4'-C3' 107.659 -5.227 . 0.0 OUTLIER '7D dist 6j' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . 1.022 " O2'" " H5'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.064 2 C5'-C4'-C3' 107.933 -5.045 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . 1.022 " H5'" " O2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.976 2 C5'-C4'-C3' 108.61 -4.593 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . 0.793 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.195 2 C5'-C4'-C3' 108.333 -4.778 . 0.034 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.851 " H2'" ' C6 ' ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.074 2 C5'-C4'-C3' 107.799 -5.134 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . 0.851 ' C6 ' " H2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.869 2 C5'-C4'-C3' 107.841 -5.106 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . 0.797 " H2'" ' C8 ' ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.997 2 C5'-C4'-C3' 107.692 -5.205 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . 0.797 ' C8 ' " H2'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.042 2 C5'-C4'-C3' 107.493 -5.338 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . 0.844 " H2'" ' C5 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.934 2 C5'-C4'-C3' 107.718 -5.188 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.844 ' C5 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.84 2 C5'-C4'-C3' 107.857 -5.096 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.629 ' C ' ' H2 ' ' B' ' 35' ' ' ' A' . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.405 ' O ' HG22 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -101.45 123.14 54.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.216 -0.928 . . . . 0.0 109.512 -179.508 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.737 ' NH2' ' H8 ' ' B' ' 22' ' ' ' A' . 0.0 OUTLIER -139.32 170.78 15.32 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.183 -0.948 . . . . 0.0 109.242 178.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.612 ' O ' " H3'" ' B' ' 23' ' ' ' U' . 43.8 p -113.91 138.97 49.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.245 -0.909 . . . . 0.0 109.711 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.601 ' O ' ' N ' ' A' ' 8' ' ' ARG . 4.1 ttt-85 -118.37 128.96 55.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.277 -0.889 . . . . 0.0 109.451 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.471 ' CG ' ' C ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 42.89 28.17 0.12 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.303 -0.873 . . . . 0.0 109.619 179.709 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.563 ' N ' ' C5 ' ' B' ' 24' ' ' ' C' . . . 97.97 -17.13 59.21 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.694 HH21 " C2'" ' B' ' 32' ' ' ' G' . 3.1 ttt180 -80.73 174.58 11.48 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.356 -1.085 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.913 ' CZ ' " H3'" ' B' ' 34' ' ' ' G' . 14.2 ttp180 -103.88 98.96 8.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.183 -0.948 . . . . 0.0 109.964 -178.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.749 HD13 ' C5 ' ' B' ' 23' ' ' ' U' . 1.2 tt -98.39 128.81 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.636 ' CZ ' ' N7 ' ' B' ' 35' ' ' ' A' . 1.2 mtp180 -130.97 132.1 44.82 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.157 -0.964 . . . . 0.0 110.192 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 1' ' ' ARG . 27.4 mt -106.8 87.17 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 177.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . 0.682 ' O ' ' N3 ' ' B' ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.449 ' HD2' ' O ' ' A' ' 12' ' ' ILE . 95.3 Cg_endo . . . . . 0 C--N 1.304 -1.775 0 C-N-CA 123.052 2.502 . . . . 0.0 111.591 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.6 " H2'" ' N7 ' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.083 2 C5'-C4'-C3' 107.642 -5.239 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.6 ' N7 ' " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.121 2 C5'-C4'-C3' 107.655 -5.23 OUTLIER-DELTA 0.0 OUTLIER '7D dist 7a' 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . 0.871 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.139 2 C5'-C4'-C3' 108.042 -4.972 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . 0.871 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.964 2 C5'-C4'-C3' 107.994 -5.004 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . 0.771 ' H8 ' " O5'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.971 2 C5'-C4'-C3' 107.572 -5.286 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.737 ' H8 ' ' NH2' ' A' ' 3' ' ' ARG . . . . . . . . 0 O4'--C1' 1.437 1.946 2 C5'-C4'-C3' 107.516 -5.323 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . 0.91 ' H6 ' H5'' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.053 2 C5'-C4'-C3' 107.172 -5.552 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . 1.034 ' OP2' " H2'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.933 2 C5'-C4'-C3' 107.159 -5.561 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . 1.034 " H2'" ' OP2' ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.795 2 C5'-C4'-C3' 107.375 -5.416 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . 0.62 ' N7 ' ' N3 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.94 1 C5'-C4'-C3' 107.637 -5.242 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . 1.051 " O2'" " H5'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.229 2 C5'-C4'-C3' 107.997 -5.002 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . 1.051 " H5'" " O2'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.119 2 C5'-C4'-C3' 108.551 -4.632 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.819 " H5'" " O2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.92 2 C5'-C4'-C3' 108.059 -4.96 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.835 " H1'" ' C6 ' ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.436 1.846 2 C5'-C4'-C3' 107.429 -5.381 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . 0.948 " H2'" ' N2 ' ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.951 2 C5'-C4'-C3' 107.874 -5.084 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . 0.948 ' N2 ' " H2'" ' B' ' 31' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.565 3.761 2 C3'-C2'-C1' 105.354 4.283 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . 0.905 ' P ' " O2'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.562 3.45 1 C3'-C2'-C1' 105.379 4.311 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.913 " H3'" ' CZ ' ' A' ' 9' ' ' ARG . . . . . . . . 0 C4'--C3' 1.555 2.827 2 C5'-C4'-C3' 108.048 -4.968 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . 0.682 ' N3 ' ' O ' ' A' ' 13' ' ' DPR . . . . . . . . 0 C4'--C3' 1.551 2.466 2 C5'-C4'-C3' 107.847 -5.102 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.8 ' C8 ' " H5'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.993 2 C5'-C4'-C3' 108.002 -4.999 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . 0.969 " O2'" " H5'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.963 2 C5'-C4'-C3' 107.751 -5.166 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . 0.969 " H5'" " O2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.01 2 C5'-C4'-C3' 108.516 -4.656 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . 0.734 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.235 2 C5'-C4'-C3' 108.012 -4.992 . 0.022 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.894 " H2'" ' C6 ' ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.026 2 C5'-C4'-C3' 108.183 -4.878 . 0.033 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . 0.894 ' C6 ' " H2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.917 2 C5'-C4'-C3' 108.223 -4.852 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . 0.75 " H2'" ' C8 ' ' B' ' 43' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.99 2 C5'-C4'-C3' 107.686 -5.209 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . 0.75 ' C8 ' " H2'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.038 2 C5'-C4'-C3' 107.568 -5.288 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . 0.767 " H2'" ' C5 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.072 2 C5'-C4'-C3' 107.763 -5.158 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.767 ' C5 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.803 2 C5'-C4'-C3' 107.672 -5.219 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.658 ' NH2' ' P ' ' B' ' 21' ' ' ' G' . 5.4 ptp85 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.11 135.95 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.274 -0.891 . . . . 0.0 109.493 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.884 ' NH1' " H2'" ' B' ' 22' ' ' ' A' . 4.7 ttm-85 -140.22 172.19 13.1 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.221 -0.924 . . . . 0.0 109.253 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.433 ' H ' ' HG2' ' A' ' 3' ' ' ARG . 1.1 p -124.41 167.82 13.88 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.213 -0.929 . . . . 0.0 109.726 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.607 ' NH1' ' C5 ' ' B' ' 27' ' ' ' A' . 1.1 ttp180 -164.77 133.83 3.57 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.243 -0.91 . . . . 0.0 109.403 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.751 ' NZ ' " H1'" ' B' ' 24' ' ' ' C' . 0.0 OUTLIER 45.42 25.71 0.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.297 -0.877 . . . . 0.0 109.552 -179.211 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.497 ' N ' ' C5 ' ' B' ' 24' ' ' ' C' . . . 88.63 7.12 72.19 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.924 ' HE ' " H2'" ' B' ' 31' ' ' ' U' . 0.0 OUTLIER -106.47 137.11 45.05 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.257 -1.143 . . . . 0.0 109.343 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.859 HH21 " H2'" ' B' ' 34' ' ' ' G' . 15.6 ttp180 -83.47 103.87 13.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.26 -0.9 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 3' ' ' ARG . 1.5 pt -99.71 137.71 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 178.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.828 HH21 ' CZ ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -116.12 131.16 57.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.07 -1.019 . . . . 0.0 110.195 -178.171 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.644 ' N ' ' H2 ' ' B' ' 35' ' ' ' A' . 0.5 OUTLIER -109.86 92.82 2.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 177.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . 0.706 ' O ' ' C2 ' ' B' ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo . . . . . 0 C--N 1.303 -1.839 0 C-N-CA 122.995 2.463 . . . . 0.0 111.622 -176.902 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.455 " H2'" ' C8 ' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.987 2 C5'-C4'-C3' 107.769 -5.154 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.659 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.039 2 C5'-C4'-C3' 107.427 -5.382 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . 0.893 " H2'" ' C8 ' ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.003 2 C5'-C4'-C3' 107.522 -5.318 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . 0.893 ' C8 ' " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.05 2 C5'-C4'-C3' 107.778 -5.148 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . 0.83 " O5'" ' H8 ' ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.015 2 C5'-C4'-C3' 107.945 -5.037 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.918 " O2'" H5'' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.43 -1.955 2 C5'-C4'-C3' 107.784 -5.144 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . 0.92 ' O2 ' " H2'" ' B' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.1 2 C5'-C4'-C3' 107.713 -5.191 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . 0.751 " H1'" ' NZ ' ' A' ' 6' ' ' LYS . . . . . . . . 0 C4'--C3' 1.559 3.224 2 C5'-C4'-C3' 106.74 -5.84 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . 0.805 " H2'" " O3'" ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.803 2 C5'-C4'-C3' 107.819 -5.121 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . 0.92 " H2'" ' O2 ' ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.015 2 C5'-C4'-C3' 108.432 -4.712 . 0.0 OUTLIER '7D dist 6d' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . 0.941 " O2'" " H5'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.14 2 C5'-C4'-C3' 108.134 -4.911 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . 0.99 " O2'" " H5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.113 2 C5'-C4'-C3' 107.216 -5.523 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.99 " H5'" " O2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.1 2 C3'-C2'-C1' 105.563 4.515 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.804 ' C6 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.844 2 C5'-C4'-C3' 107.431 -5.379 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1t' 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . 0.924 " H2'" ' HE ' ' A' ' 8' ' ' ARG . . . . . . . . 0 O4'--C4' 1.43 -1.882 2 C5'-C4'-C3' 108.031 -4.979 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . 1.011 " H1'" H5'' ' B' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.564 3.656 2 C5'-C4'-C3' 108.092 -4.938 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . 0.754 " H2'" " O4'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.879 2 C5'-C4'-C3' 106.617 -5.922 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 1.011 H5'' " H1'" ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.435 1.778 2 C5'-C4'-C3' 108.128 -4.915 OUTLIER-EPSILON 0.0 OUTLIER beta 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . 0.706 ' C2 ' ' O ' ' A' ' 13' ' ' DPR . . . . . . . . 0 O4'--C4' 1.431 -1.815 2 C5'-C4'-C3' 107.33 -5.447 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.671 " C5'" " H4'" ' B' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.961 2 C5'-C4'-C3' 107.911 -5.059 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . 0.884 " O2'" " H5'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.031 2 C5'-C4'-C3' 107.609 -5.261 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . 0.884 " H5'" " O2'" ' B' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.111 2 C3'-C2'-C1' 105.375 4.305 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . 0.866 " H2'" ' C6 ' ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.246 2 C5'-C4'-C3' 108.772 -4.485 . 0.048 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.884 " O2'" " H5'" ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.108 2 C5'-C4'-C3' 108.017 -4.989 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . 0.884 " H5'" " O2'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.033 2 C5'-C4'-C3' 108.51 -4.66 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . 0.725 ' C6 ' " H2'" ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.964 2 C5'-C4'-C3' 107.746 -5.169 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . 0.686 ' C8 ' " H2'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.006 2 C5'-C4'-C3' 107.708 -5.195 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . 0.834 " H2'" ' C5 ' ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.937 2 C5'-C4'-C3' 107.734 -5.177 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . 0.834 ' C5 ' " H2'" ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.843 2 C5'-C4'-C3' 107.641 -5.239 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 stop_ save_